#=============================================================================
data_global
loop_
_journal_name_full                 'European Journal of Chemistry'
_journal_coden_ASTM                EJCUA9
_journal_volume                    16
_journal_issue                     1
_journal_year                      2025
_journal_page_first                37
_journal_page_last                 45
#============================================================================= 
data_PDL1608
_audit_creation_date               2024-10-29
_audit_creation_method
;
Olex2 1.3-beta
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number       '2014/7'
#===END
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C58 H48 B4 N4 O6 Si2'
_chemical_formula_sum              'C58 H48 B4 N4 O6 Si2'
_chemical_formula_weight           996.42
_chemical_melting_point            ?
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'B' 'B' 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Si' 'Si' 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system        'monoclinic'
_space_group_IT_number             14
_space_group_name_H-M_alt          'P 1 21/c 1'
_space_group_name_Hall             '-P 2ybc'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y-1/2, z-1/2'

_cell_length_a                     11.0879(4)
_cell_length_b                     14.3707(4)
_cell_length_c                     16.2697(5)
_cell_angle_alpha                  90
_cell_angle_beta                   98.759(3)
_cell_angle_gamma                  90
_cell_volume                       2562.20(13)
_cell_formula_units_Z              2
_cell_measurement_reflns_used      2432
_cell_measurement_temperature      173(2)
_cell_measurement_theta_max        27.6570
_cell_measurement_theta_min        2.8970
_shelx_estimated_absorpt_T_max     ?
_shelx_estimated_absorpt_T_min     ?
_exptl_absorpt_coefficient_mu      0.126
_exptl_absorpt_correction_T_max    0.995
_exptl_absorpt_correction_T_min    0.955
_exptl_absorpt_correction_type     analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              Orange-brown
_exptl_crystal_density_diffrn      1.292
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         plates
_exptl_crystal_F_000               1040
_exptl_crystal_size_max            0.46
_exptl_crystal_size_mid            0.42
_exptl_crystal_size_min            0.04
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0299
_diffrn_reflns_av_unetI/netI       0.0569
_diffrn_reflns_Laue_measured_fraction_full  0.987
_diffrn_reflns_Laue_measured_fraction_max  0.809
_diffrn_reflns_limit_h_max         9
_diffrn_reflns_limit_h_min         -13
_diffrn_reflns_limit_k_max         18
_diffrn_reflns_limit_k_min         -16
_diffrn_reflns_limit_l_max         21
_diffrn_reflns_limit_l_min         -13
_diffrn_reflns_number              8564
_diffrn_reflns_point_group_measured_fraction_full  0.987
_diffrn_reflns_point_group_measured_fraction_max  0.809
_diffrn_reflns_theta_full          25.242
_diffrn_reflns_theta_max           28.245
_diffrn_reflns_theta_min           2.533
_diffrn_ambient_temperature        173(2)
_diffrn_detector_area_resol_mean   16.0382
_diffrn_measured_fraction_theta_full  0.987
_diffrn_measured_fraction_theta_max  0.809
_diffrn_measurement_device_type    'Agilent Xcalibur 3 E'
_diffrn_measurement_method         'omega scans'
_diffrn_radiation_type             MoK\a
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  3893
_reflns_number_total               5118
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.

 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression       'I > 2\s(I)'
_computing_cell_refinement         'CrysAlisPro, Agilent Technologies'
_computing_data_collection         'CrysAlisPro, Agilent Technologies'
_computing_data_reduction          'CrysAlisPro, Agilent Technologies'
_computing_molecular_graphics      'Olex2 1.3-beta (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 1.3-beta (Dolomanov et al., 2009)'
_computing_structure_refinement    'SHELXL n/a (Sheldrick, 2015)'
_computing_structure_solution      'SHELXS  (Sheldrick, 2008)'
_refine_diff_density_max           0.348
_refine_diff_density_min           -0.552
_refine_diff_density_rms           0.066
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.049
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       334
_refine_ls_number_reflns           5118
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.0789
_refine_ls_R_factor_gt             0.0570
_refine_ls_restrained_S_all        1.049
_refine_ls_shift/su_max            0.000
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[\s^2^(Fo^2^)+(0.0702P)^2^+1.0970P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1394
_refine_ls_wR_factor_ref           0.1559
_refine_special_details            ?
_olex2_refinement_description
;
1. Others
 Fixed Uiso: H8A(0.037) H9A(0.04) H11A(0.035) H12A(0.032) H15A(0.045)
 H16A(0.056) H17A(0.054) H18A(0.052) H19A(0.042) H21A(0.042) H22A(0.061)
 H23A(0.067) H24A(0.06) H25A(0.042) H27A(0.057) H28A(0.071) H29A(0.057)
 H30A(0.056) H31A(0.048) H33A(0.058) H34A(0.081) H35A(0.084) H36A(0.076)
 H37A(0.051)
 Fixed X: H8A(0.7798) H9A(0.7339) H11A(0.4092) H12A(0.4653) H15A(0.9132)
 H16A(1.0344) H17A(0.945) H18A(0.7379) H19A(0.6182) H21A(0.3798) H22A(0.1874)
 H23A(0.0466) H24A(0.1004) H25A(0.2949) H27A(0.5009) H28A(0.4968) H29A(0.6672)
 H30A(0.842) H31A(0.8512) H33A(0.7802) H34A(0.8924) H35A(0.9605) H36A(0.9109)
 H37A(0.803)
 Fixed Y: H8A(0.2415) H9A(0.1263) H11A(0.0887) H12A(0.2018) H15A(0.2794)
 H16A(0.1921) H17A(0.1192) H18A(0.1377) H19A(0.2252) H21A(0.3213) H22A(0.3303)
 H23A(0.4387) H24A(0.5414) H25A(0.5368) H27A(0.5896) H28A(0.6667) H29A(0.6652)
 H30A(0.5888) H31A(0.5192) H33A(0.6827) H34A(0.7723) H35A(0.7068) H36A(0.5528)
 H37A(0.463)
 Fixed Z: H8A(0.1282) H9A(0.0278) H11A(0.1081) H12A(0.208) H15A(0.2806)
 H16A(0.3829) H17A(0.4864) H18A(0.4903) H19A(0.3884) H21A(0.3688) H22A(0.4078)
 H23A(0.3458) H24A(0.2474) H25A(0.2107) H27A(0.0885) H28A(-0.0371) H29A(-
 0.1048) H30A(-0.045) H31A(0.0841) H33A(0.2183) H34A(0.3215) H35A(0.4508)
 H36A(0.4781) H37A(0.3739)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       direct
_atom_sites_solution_secondary     ?
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 B1 B 0.6645(3) 0.31302(18) 0.24863(16) 0.0265(6) Uani 1 1 d . . . . .
 O2 O 0.54912(15) 0.33855(11) 0.27417(9) 0.0283(4) Uani 1 1 d . . . . .
 B3 B 0.4893(2) 0.41986(18) 0.25993(15) 0.0251(6) Uani 1 1 d . . . . .
 O4 O 0.54017(15) 0.49438(11) 0.22495(10) 0.0295(4) Uani 1 1 d . . . . .
 Si5 Si 0.68189(6) 0.49281(4) 0.20413(4) 0.02799(19) Uani 1 1 d . . . . .
 O6 O 0.72379(15) 0.38532(11) 0.20757(10) 0.0291(4) Uani 1 1 d . . . . .
 N7 N 0.62605(17) 0.23176(13) 0.17597(11) 0.0240(4) Uani 1 1 d . . . . .
 C8 C 0.7041(2) 0.20952(17) 0.12390(14) 0.0309(5) Uani 1 1 d . . . . .
 H8A H 0.7798 0.2415 0.1282 0.037 Uiso 1 1 calc R U . . .
 C9 C 0.6774(2) 0.14134(18) 0.06411(15) 0.0334(6) Uani 1 1 d . . . . .
 H9A H 0.7339 0.1263 0.0278 0.040 Uiso 1 1 calc R U . . .
 C10 C 0.5673(2) 0.09560(16) 0.05810(13) 0.0263(5) Uani 1 1 d . . . . .
 C11 C 0.4861(2) 0.11887(16) 0.11172(14) 0.0292(5) Uani 1 1 d . . . . .
 H11A H 0.4092 0.0887 0.1081 0.035 Uiso 1 1 calc R U . . .
 C12 C 0.5196(2) 0.18650(16) 0.17019(14) 0.0268(5) Uani 1 1 d . . . . .
 H12A H 0.4653 0.2018 0.2080 0.032 Uiso 1 1 calc R U . . .
 N13 N 0.54368(18) 0.02524(14) -0.00463(12) 0.0301(5) Uani 1 1 d . . . . .
 C14 C 0.7523(2) 0.26012(15) 0.32223(14) 0.0259(5) Uani 1 1 d . . . . .
 C15 C 0.8764(2) 0.25005(18) 0.32290(16) 0.0378(6) Uani 1 1 d . . . . .
 H15A H 0.9132 0.2794 0.2806 0.045 Uiso 1 1 calc R U . . .
 C16 C 0.9493(3) 0.1981(2) 0.38383(18) 0.0465(7) Uani 1 1 d . . . . .
 H16A H 1.0344 0.1921 0.3829 0.056 Uiso 1 1 calc R U . . .
 C17 C 0.8966(3) 0.1557(2) 0.44523(17) 0.0454(7) Uani 1 1 d . . . . .
 H17A H 0.9450 0.1192 0.4864 0.054 Uiso 1 1 calc R U . . .
 C18 C 0.7740(3) 0.1661(2) 0.44724(16) 0.0431(7) Uani 1 1 d . . . . .
 H18A H 0.7379 0.1377 0.4903 0.052 Uiso 1 1 calc R U . . .
 C19 C 0.7028(2) 0.21814(18) 0.38623(15) 0.0350(6) Uani 1 1 d . . . . .
 H19A H 0.6182 0.2252 0.3884 0.042 Uiso 1 1 calc R U . . .
 C20 C 0.3587(2) 0.42803(16) 0.28516(14) 0.0269(5) Uani 1 1 d . . . . .
 C21 C 0.3237(2) 0.36693(17) 0.34406(15) 0.0347(6) Uani 1 1 d . . . . .
 H21A H 0.3798 0.3213 0.3688 0.042 Uiso 1 1 calc R U . . .
 C22 C 0.2090(3) 0.3717(2) 0.3669(2) 0.0504(8) Uani 1 1 d . . . . .
 H22A H 0.1874 0.3303 0.4078 0.061 Uiso 1 1 calc R U . . .
 C23 C 0.1259(3) 0.4362(2) 0.3307(2) 0.0559(9) Uani 1 1 d . . . . .
 H23A H 0.0466 0.4387 0.3458 0.067 Uiso 1 1 calc R U . . .
 C24 C 0.1579(3) 0.4969(2) 0.2725(2) 0.0496(8) Uani 1 1 d . . . . .
 H24A H 0.1004 0.5414 0.2474 0.060 Uiso 1 1 calc R U . . .
 C25 C 0.2734(2) 0.49366(18) 0.25027(16) 0.0351(6) Uani 1 1 d . . . . .
 H25A H 0.2949 0.5368 0.2107 0.042 Uiso 1 1 calc R U . . .
 C26 C 0.6772(2) 0.54643(16) 0.10065(14) 0.0300(5) Uani 1 1 d . . . . .
 C27 C 0.5719(3) 0.5904(2) 0.06244(18) 0.0475(7) Uani 1 1 d . . . . .
 H27A H 0.5009 0.5896 0.0885 0.057 Uiso 1 1 calc R U . . .
 C28 C 0.5689(3) 0.6353(2) -0.01279(19) 0.0589(9) Uani 1 1 d . . . . .
 H28A H 0.4968 0.6667 -0.0371 0.071 Uiso 1 1 calc R U . . .
 C29 C 0.6696(3) 0.6348(2) -0.05271(17) 0.0475(7) Uani 1 1 d . . . . .
 H29A H 0.6672 0.6652 -0.1048 0.057 Uiso 1 1 calc R U . . .
 C30 C 0.7728(3) 0.5905(2) -0.01709(17) 0.0468(7) Uani 1 1 d . . . . .
 H30A H 0.8420 0.5888 -0.0450 0.056 Uiso 1 1 calc R U . . .
 C31 C 0.7775(2) 0.5480(2) 0.05930(16) 0.0398(6) Uani 1 1 d . . . . .
 H31A H 0.8512 0.5192 0.0841 0.048 Uiso 1 1 calc R U . . .
 C32 C 0.7802(2) 0.56299(18) 0.28470(15) 0.0331(6) Uani 1 1 d . . . . .
 C33 C 0.8078(3) 0.6556(2) 0.27109(19) 0.0479(7) Uani 1 1 d . . . . .
 H33A H 0.7802 0.6827 0.2183 0.058 Uiso 1 1 calc R U . . .
 C34 C 0.8742(3) 0.7093(3) 0.3322(2) 0.0677(10) Uani 1 1 d . . . . .
 H34A H 0.8924 0.7723 0.3215 0.081 Uiso 1 1 calc R U . . .
 C35 C 0.9136(3) 0.6707(3) 0.4086(2) 0.0697(11) Uani 1 1 d . . . . .
 H35A H 0.9605 0.7068 0.4508 0.084 Uiso 1 1 calc R U . . .
 C36 C 0.8854(3) 0.5789(3) 0.4246(2) 0.0629(10) Uani 1 1 d . . . . .
 H36A H 0.9109 0.5528 0.4781 0.076 Uiso 1 1 calc R U . . .
 C37 C 0.8206(2) 0.5261(2) 0.36294(16) 0.0421(7) Uani 1 1 d . . . . .
 H37A H 0.8030 0.4630 0.3739 0.051 Uiso 1 1 calc R U . . .

loop_
  _atom_site_aniso_label
  _atom_site_aniso_U_11
  _atom_site_aniso_U_22
  _atom_site_aniso_U_33
  _atom_site_aniso_U_23
  _atom_site_aniso_U_13
  _atom_site_aniso_U_12
 B1 0.0306(14) 0.0203(12) 0.0299(13) -0.0020(11) 0.0088(11) -0.0026(11)
 O2 0.0317(9) 0.0226(8) 0.0327(9) 0.0015(7) 0.0117(7) 0.0008(7)
 B3 0.0295(14) 0.0238(13) 0.0216(12) -0.0034(11) 0.0032(10) -0.0013(11)
 O4 0.0294(9) 0.0247(8) 0.0367(9) 0.0031(7) 0.0125(7) 0.0024(7)
 Si5 0.0309(4) 0.0237(3) 0.0305(4) -0.0003(3) 0.0084(3) -0.0015(3)
 O6 0.0317(9) 0.0215(8) 0.0368(9) -0.0007(7) 0.0140(7) -0.0026(7)
 N7 0.0256(10) 0.0221(9) 0.0241(9) 0.0023(8) 0.0036(8) -0.0003(8)
 C8 0.0275(13) 0.0312(13) 0.0352(13) -0.0073(11) 0.0083(10) -0.0052(10)
 C9 0.0326(14) 0.0369(14) 0.0322(13) -0.0061(11) 0.0100(10) -0.0061(11)
 C10 0.0338(13) 0.0235(11) 0.0207(11) 0.0012(10) 0.0018(9) -0.0021(10)
 C11 0.0289(13) 0.0283(12) 0.0304(12) -0.0007(10) 0.0042(10) -0.0069(10)
 C12 0.0270(12) 0.0261(11) 0.0283(12) 0.0016(10) 0.0080(9) -0.0024(10)
 N13 0.0343(11) 0.0283(10) 0.0272(10) -0.0010(9) 0.0029(9) -0.0046(8)
 C14 0.0319(13) 0.0179(10) 0.0276(12) -0.0069(9) 0.0038(9) -0.0051(9)
 C15 0.0341(14) 0.0379(14) 0.0404(14) 0.0010(12) 0.0027(11) -0.0074(12)
 C16 0.0304(15) 0.0475(17) 0.0579(18) 0.0042(15) -0.0060(13) -0.0028(13)
 C17 0.0457(17) 0.0414(16) 0.0433(15) 0.0044(13) -0.0117(13) 0.0014(13)
 C18 0.0543(18) 0.0409(16) 0.0339(14) 0.0068(13) 0.0060(12) 0.0013(14)
 C19 0.0372(15) 0.0346(14) 0.0338(13) -0.0005(11) 0.0077(11) 0.0010(11)
 C20 0.0292(13) 0.0230(11) 0.0289(12) -0.0069(10) 0.0061(10) -0.0032(10)
 C21 0.0380(15) 0.0294(13) 0.0393(14) -0.0034(11) 0.0141(11) -0.0022(11)
 C22 0.0525(19) 0.0435(16) 0.0636(19) -0.0038(15) 0.0354(15) -0.0110(15)
 C23 0.0320(16) 0.0515(18) 0.091(2) -0.0152(18) 0.0306(16) -0.0037(14)
 C24 0.0325(15) 0.0431(16) 0.073(2) -0.0086(16) 0.0073(14) 0.0056(13)
 C25 0.0340(14) 0.0299(13) 0.0416(14) -0.0029(11) 0.0061(11) -0.0003(11)
 C26 0.0356(14) 0.0252(12) 0.0294(12) -0.0038(10) 0.0054(10) -0.0012(10)
 C27 0.0415(16) 0.0546(18) 0.0499(16) 0.0183(15) 0.0180(13) 0.0154(14)
 C28 0.054(2) 0.068(2) 0.0556(19) 0.0303(17) 0.0113(15) 0.0196(17)
 C29 0.0555(19) 0.0505(17) 0.0365(14) 0.0114(14) 0.0073(13) -0.0041(15)
 C30 0.0436(17) 0.0617(19) 0.0375(15) 0.0038(14) 0.0135(12) -0.0077(15)
 C31 0.0333(14) 0.0505(16) 0.0347(14) -0.0027(13) 0.0021(11) 0.0004(13)
 C32 0.0307(13) 0.0332(13) 0.0381(14) -0.0037(11) 0.0144(11) -0.0004(11)
 C33 0.061(2) 0.0394(15) 0.0473(16) -0.0107(14) 0.0195(14) -0.0162(14)
 C34 0.081(3) 0.059(2) 0.070(2) -0.0314(19) 0.0324(19) -0.0279(19)
 C35 0.054(2) 0.083(3) 0.070(2) -0.047(2) 0.0026(17) -0.0105(19)
 C36 0.056(2) 0.082(3) 0.0466(18) -0.0193(18) -0.0061(15) 0.0249(19)
 C37 0.0377(15) 0.0451(16) 0.0419(15) -0.0101(13) 0.0004(12) 0.0118(13)

_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 B1 O2 1.451(3) . ?
 B1 O6 1.446(3) . ?
 B1 N7 1.670(3) . ?
 B1 C14 1.614(4) . ?
 O2 B3 1.346(3) . ?
 B3 O4 1.373(3) . ?
 B3 C20 1.569(3) . ?
 O4 Si5 1.6573(17) . ?
 Si5 O6 1.6116(16) . ?
 Si5 C26 1.845(2) . ?
 Si5 C32 1.868(3) . ?
 N7 C8 1.339(3) . ?
 N7 C12 1.338(3) . ?
 C8 C9 1.381(3) . ?
 C9 C10 1.376(3) . ?
 C10 C11 1.387(3) . ?
 C10 N13 1.432(3) . ?
 C11 C12 1.371(3) . ?
 N13 N13 1.238(4) 3_655 ?
 C14 C15 1.382(3) . ?
 C14 C19 1.387(3) . ?
 C15 C16 1.396(4) . ?
 C16 C17 1.374(4) . ?
 C17 C18 1.372(4) . ?
 C18 C19 1.389(4) . ?
 C20 C21 1.398(3) . ?
 C20 C25 1.394(3) . ?
 C21 C22 1.380(4) . ?
 C22 C23 1.375(4) . ?
 C23 C24 1.373(4) . ?
 C24 C25 1.384(4) . ?
 C26 C27 1.388(4) . ?
 C26 C31 1.385(4) . ?
 C27 C28 1.379(4) . ?
 C28 C29 1.375(4) . ?
 C29 C30 1.359(4) . ?
 C30 C31 1.379(4) . ?
 C32 C33 1.391(4) . ?
 C32 C37 1.388(4) . ?
 C33 C34 1.379(4) . ?
 C34 C35 1.371(5) . ?
 C35 C36 1.390(5) . ?
 C36 C37 1.371(4) . ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 O2 B1 N7 103.80(18) . . ?
 O2 B1 C14 111.44(19) . . ?
 O6 B1 O2 115.7(2) . . ?
 O6 B1 N7 105.08(17) . . ?
 O6 B1 C14 114.5(2) . . ?
 C14 B1 N7 104.82(17) . . ?
 B3 O2 B1 127.08(19) . . ?
 O2 B3 O4 121.7(2) . . ?
 O2 B3 C20 118.0(2) . . ?
 O4 B3 C20 120.2(2) . . ?
 B3 O4 Si5 122.40(15) . . ?
 O4 Si5 C26 106.55(10) . . ?
 O4 Si5 C32 108.64(10) . . ?
 O6 Si5 O4 106.46(9) . . ?
 O6 Si5 C26 113.58(10) . . ?
 O6 Si5 C32 111.02(10) . . ?
 C26 Si5 C32 110.32(11) . . ?
 B1 O6 Si5 123.75(15) . . ?
 C8 N7 B1 119.67(19) . . ?
 C12 N7 B1 121.12(18) . . ?
 C12 N7 C8 119.2(2) . . ?
 N7 C8 C9 121.7(2) . . ?
 C10 C9 C8 118.8(2) . . ?
 C9 C10 C11 119.6(2) . . ?
 C9 C10 N13 116.9(2) . . ?
 C11 C10 N13 123.6(2) . . ?
 C12 C11 C10 118.3(2) . . ?
 N7 C12 C11 122.4(2) . . ?
 N13 N13 C10 112.9(2) 3_655 . ?
 C15 C14 B1 122.9(2) . . ?
 C15 C14 C19 117.1(2) . . ?
 C19 C14 B1 119.9(2) . . ?
 C14 C15 C16 122.0(2) . . ?
 C17 C16 C15 119.2(3) . . ?
 C18 C17 C16 120.1(3) . . ?
 C17 C18 C19 119.9(3) . . ?
 C14 C19 C18 121.6(2) . . ?
 C21 C20 B3 119.8(2) . . ?
 C25 C20 B3 122.7(2) . . ?
 C25 C20 C21 117.5(2) . . ?
 C22 C21 C20 121.2(3) . . ?
 C23 C22 C21 120.1(3) . . ?
 C24 C23 C22 119.9(3) . . ?
 C23 C24 C25 120.4(3) . . ?
 C24 C25 C20 120.9(2) . . ?
 C27 C26 Si5 120.2(2) . . ?
 C31 C26 Si5 122.47(19) . . ?
 C31 C26 C27 117.2(2) . . ?
 C28 C27 C26 121.0(3) . . ?
 C29 C28 C27 120.3(3) . . ?
 C30 C29 C28 119.5(3) . . ?
 C29 C30 C31 120.4(3) . . ?
 C30 C31 C26 121.5(3) . . ?
 C33 C32 Si5 121.6(2) . . ?
 C37 C32 Si5 120.6(2) . . ?
 C37 C32 C33 117.6(3) . . ?
 C34 C33 C32 121.8(3) . . ?
 C35 C34 C33 119.3(3) . . ?
 C34 C35 C36 120.3(3) . . ?
 C37 C36 C35 119.7(3) . . ?
 C36 C37 C32 121.3(3) . . ?

_olex2_submission_special_instructions  'No special instructions were received'