#============================================================================= data_global loop_ _journal_name_full 'European Journal of Chemistry' _journal_coden_ASTM EJCUA9 _journal_volume 17 _journal_issue 3 _journal_year 2026 _journal_page_first 218 _journal_page_last 228 #============================================================================= data_kucuk5 _audit_creation_method 'SHELXL-2019/3' _shelx_SHELXL_version_number '2019/3' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C6 H8 Ag N4, Cl O4' _chemical_formula_sum 'C6 H8 Ag Cl N4 O4' _chemical_formula_weight 343.48 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' 'Ag' 'Ag' -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Cl' 'Cl' 0.1484 0.1585 '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' _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_H-M_alt 'P 21/c' _space_group_name_Hall '-P 2ybc' _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. ; 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 12.3738(11) _cell_length_b 8.5615(8) _cell_length_c 10.2360(9) _cell_angle_alpha 90 _cell_angle_beta 90.104(3) _cell_angle_gamma 90 _cell_volume 1084.38(17) _cell_formula_units_Z 4 _cell_measurement_temperature 296(2) _cell_measurement_reflns_used 9900 _cell_measurement_theta_min 2.38 _cell_measurement_theta_max 28.37 _exptl_crystal_description 'prism' _exptl_crystal_colour 'colorless' _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 2.104 _exptl_crystal_F_000 672 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.640 _exptl_crystal_size_mid 0.510 _exptl_crystal_size_min 0.170 _exptl_absorpt_coefficient_mu 2.110 _shelx_estimated_absorpt_T_min 0.345 _shelx_estimated_absorpt_T_max 0.716 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_correction_T_min 0.4611 _exptl_absorpt_correction_T_max 0.7457 _exptl_absorpt_process_details 'SADABS (Bruker, 2013)' _exptl_absorpt_special_details ? _diffrn_ambient_temperature 296(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator 'graphite' _diffrn_measurement_device_type 'Bruker D8 QUEST' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 20051 _diffrn_reflns_av_unetI/netI 0.0239 _diffrn_reflns_av_R_equivalents 0.0389 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_l_min -13 _diffrn_reflns_limit_l_max 13 _diffrn_reflns_theta_min 1.646 _diffrn_reflns_theta_max 28.371 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.980 _diffrn_measured_fraction_theta_full 0.976 _diffrn_reflns_Laue_measured_fraction_max 0.980 _diffrn_reflns_Laue_measured_fraction_full 0.976 _diffrn_reflns_point_group_measured_fraction_max 0.980 _diffrn_reflns_point_group_measured_fraction_full 0.976 _reflns_number_total 2663 _reflns_number_gt 2286 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _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. ; _computing_data_collection 'APEX2 (Bruker, 2013)' _computing_cell_refinement 'SAINT (Bruker, 2013)' _computing_data_reduction 'SAINT (Bruker, 2013)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2015)' _computing_structure_refinement 'SHELXL-2019/3 (Sheldrick, 2015)' _computing_molecular_graphics 'OLEX2 (Dolomanov et al., 2009)' _computing_publication_material 'OLEX2 (Dolomanov et al., 2009) and PLATON (Spek, 2009)' _refine_special_details ? _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0275P)^2^+1.1255P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 2663 _refine_ls_number_parameters 145 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0375 _refine_ls_R_factor_gt 0.0302 _refine_ls_wR_factor_ref 0.0754 _refine_ls_wR_factor_gt 0.0696 _refine_ls_goodness_of_fit_ref 1.040 _refine_ls_restrained_S_all 1.040 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 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 Ag1 Ag 0.79202(2) 0.31631(3) 0.48285(2) 0.05901(11) Uani 1 1 d . . . . . Cl1 Cl 0.68641(5) 0.78357(7) 0.55680(5) 0.03725(14) Uani 1 1 d . . . . . O1 O 0.6876(2) 0.6414(3) 0.4834(2) 0.0687(6) Uani 1 1 d . . . . . O2 O 0.70610(18) 0.7512(3) 0.69182(18) 0.0597(5) Uani 1 1 d . . . . . O3 O 0.76850(19) 0.8855(3) 0.5087(2) 0.0693(6) Uani 1 1 d . . . . . O4 O 0.58369(17) 0.8582(3) 0.5431(2) 0.0615(6) Uani 1 1 d . . . . . N1 N 0.67838(17) 0.2687(3) 0.3360(2) 0.0401(4) Uani 1 1 d . . . . . N2 N 0.5709(2) 0.3125(3) 0.1720(2) 0.0484(5) Uani 1 1 d . . . . . H2N H 0.531421 0.361749 0.116418 0.058 Uiso 1 1 calc R U . . . N3 N 0.92592(18) 0.3602(3) 0.6042(2) 0.0487(5) Uani 1 1 d . . . . . N4 N 1.09264(18) 0.3584(3) 0.6715(3) 0.0564(6) Uani 1 1 d . . . . . H4N H 1.160557 0.337537 0.675246 0.068 Uiso 1 1 calc R U . . . C1 C 0.6259(2) 0.3763(3) 0.2690(2) 0.0438(5) Uani 1 1 d . . . . . H1 H 0.627375 0.482670 0.287573 0.053 Uiso 1 1 calc R U . . . C2 C 0.5874(2) 0.1563(3) 0.1752(3) 0.0490(6) Uani 1 1 d . . . . . H2 H 0.558654 0.082304 0.118461 0.059 Uiso 1 1 calc R U . . . C3 C 0.6534(2) 0.1297(3) 0.2765(3) 0.0456(6) Uani 1 1 d . . . . . H3 H 0.678409 0.032101 0.302563 0.055 Uiso 1 1 calc R U . . . C4 C 1.0240(2) 0.3070(4) 0.5821(3) 0.0528(7) Uani 1 1 d . . . . . H4 H 1.042615 0.241946 0.512927 0.063 Uiso 1 1 calc R U . . . C5 C 1.0376(3) 0.4493(4) 0.7558(3) 0.0614(8) Uani 1 1 d . . . . . H5 H 1.065274 0.501039 0.828429 0.074 Uiso 1 1 calc R U . . . C6 C 0.9339(2) 0.4500(4) 0.7136(3) 0.0612(8) Uani 1 1 d . . . . . H6 H 0.877197 0.503307 0.752966 0.073 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 Ag1 0.04657(15) 0.07278(19) 0.05759(16) 0.00904(10) -0.02467(10) -0.00475(10) Cl1 0.0366(3) 0.0422(3) 0.0329(3) -0.0032(2) -0.0095(2) 0.0055(2) O1 0.1008(19) 0.0524(12) 0.0529(12) -0.0172(10) -0.0060(12) 0.0096(12) O2 0.0700(14) 0.0740(13) 0.0351(9) 0.0020(9) -0.0203(9) 0.0017(12) O3 0.0497(12) 0.0732(15) 0.0850(16) 0.0191(13) -0.0047(11) -0.0054(11) O4 0.0425(11) 0.0782(14) 0.0637(13) -0.0164(11) -0.0227(9) 0.0174(10) N1 0.0367(11) 0.0423(11) 0.0412(11) 0.0031(9) -0.0092(8) 0.0028(9) N2 0.0464(12) 0.0583(14) 0.0405(11) 0.0080(10) -0.0146(9) 0.0023(10) N3 0.0369(11) 0.0568(13) 0.0524(13) 0.0025(11) -0.0133(9) 0.0026(10) N4 0.0303(11) 0.0593(14) 0.0795(17) 0.0076(13) -0.0140(11) 0.0045(10) C1 0.0451(14) 0.0401(13) 0.0461(13) 0.0015(10) -0.0103(10) 0.0045(11) C2 0.0449(14) 0.0551(16) 0.0468(14) -0.0101(12) -0.0016(11) -0.0122(12) C3 0.0418(13) 0.0373(12) 0.0576(15) 0.0049(11) -0.0010(11) 0.0021(11) C4 0.0426(15) 0.0562(17) 0.0596(17) -0.0031(13) -0.0036(12) 0.0036(12) C5 0.0521(17) 0.072(2) 0.0598(17) -0.0032(16) -0.0185(13) -0.0039(15) C6 0.0416(15) 0.076(2) 0.0660(18) -0.0124(16) -0.0068(13) 0.0057(14) _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 Ag1 N1 2.096(2) . ? Ag1 N3 2.103(2) . ? Cl1 O3 1.427(2) . ? Cl1 O4 1.429(2) . ? Cl1 O2 1.4300(19) . ? Cl1 O1 1.430(2) . ? N1 C1 1.319(3) . ? N1 C3 1.372(3) . ? N2 C1 1.321(3) . ? N2 C2 1.353(4) . ? N2 H2N 0.8600 . ? N3 C4 1.317(4) . ? N3 C6 1.361(4) . ? N4 C4 1.323(4) . ? N4 C5 1.347(4) . ? N4 H4N 0.8600 . ? C1 H1 0.9300 . ? C2 C3 1.338(4) . ? C2 H2 0.9300 . ? C3 H3 0.9300 . ? C4 H4 0.9300 . ? C5 C6 1.353(4) . ? C5 H5 0.9300 . ? C6 H6 0.9300 . ? 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 N1 Ag1 N3 170.08(9) . . ? O3 Cl1 O4 109.05(15) . . ? O3 Cl1 O2 109.36(14) . . ? O4 Cl1 O2 109.33(14) . . ? O3 Cl1 O1 109.34(16) . . ? O4 Cl1 O1 109.83(15) . . ? O2 Cl1 O1 109.92(14) . . ? C1 N1 C3 105.4(2) . . ? C1 N1 Ag1 124.47(18) . . ? C3 N1 Ag1 129.59(17) . . ? C1 N2 C2 108.3(2) . . ? C1 N2 H2N 125.9 . . ? C2 N2 H2N 125.9 . . ? C4 N3 C6 105.7(2) . . ? C4 N3 Ag1 124.2(2) . . ? C6 N3 Ag1 130.0(2) . . ? C4 N4 C5 108.1(2) . . ? C4 N4 H4N 125.9 . . ? C5 N4 H4N 125.9 . . ? N1 C1 N2 110.7(2) . . ? N1 C1 H1 124.6 . . ? N2 C1 H1 124.6 . . ? C3 C2 N2 106.2(2) . . ? C3 C2 H2 126.9 . . ? N2 C2 H2 126.9 . . ? C2 C3 N1 109.5(2) . . ? C2 C3 H3 125.3 . . ? N1 C3 H3 125.3 . . ? N3 C4 N4 110.9(3) . . ? N3 C4 H4 124.6 . . ? N4 C4 H4 124.6 . . ? N4 C5 C6 106.1(3) . . ? N4 C5 H5 126.9 . . ? C6 C5 H5 126.9 . . ? C5 C6 N3 109.1(3) . . ? C5 C6 H6 125.4 . . ? N3 C6 H6 125.4 . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag C3 N1 C1 N2 -0.4(3) . . . . ? Ag1 N1 C1 N2 171.62(18) . . . . ? C2 N2 C1 N1 0.2(3) . . . . ? C1 N2 C2 C3 0.0(3) . . . . ? N2 C2 C3 N1 -0.3(3) . . . . ? C1 N1 C3 C2 0.4(3) . . . . ? Ag1 N1 C3 C2 -171.04(19) . . . . ? C6 N3 C4 N4 0.1(4) . . . . ? Ag1 N3 C4 N4 177.38(19) . . . . ? C5 N4 C4 N3 -0.1(4) . . . . ? C4 N4 C5 C6 0.1(4) . . . . ? N4 C5 C6 N3 0.0(4) . . . . ? C4 N3 C6 C5 0.0(4) . . . . ? Ag1 N3 C6 C5 -177.1(2) . . . . ? _refine_diff_density_max 0.610 _refine_diff_density_min -0.714 _refine_diff_density_rms 0.066 _shelx_res_file ; TITL kucuk5 shelx.res created by SHELXL-2019/3 at 22:53:09 on 18-Jun-2026 CELL 0.71073 12.3738 8.5615 10.2360 90.000 90.104 90.000 ZERR 4.00 0.0011 0.0008 0.0009 0.000 0.003 0.000 LATT 1 SYMM - X, 1/2 + Y, 1/2 - Z SFAC C H AG CL N O UNIT 24 32 4 4 16 16 MERG 2 FMAP 2 PLAN 5 SIZE 0.170 0.510 0.640 ACTA BOND $H CONF L.S. 20 TEMP 23.00 WGHT 0.027500 1.125500 FVAR 0.93020 AG1 3 0.792021 0.316306 0.482855 11.00000 0.04657 0.07278 = 0.05759 0.00904 -0.02467 -0.00475 CL1 4 0.686412 0.783572 0.556803 11.00000 0.03662 0.04216 = 0.03294 -0.00321 -0.00947 0.00554 O1 6 0.687615 0.641383 0.483438 11.00000 0.10081 0.05238 = 0.05294 -0.01719 -0.00597 0.00962 O2 6 0.706102 0.751242 0.691822 11.00000 0.07002 0.07398 = 0.03511 0.00203 -0.02032 0.00169 O3 6 0.768500 0.885462 0.508730 11.00000 0.04973 0.07325 = 0.08497 0.01908 -0.00470 -0.00544 O4 6 0.583689 0.858215 0.543150 11.00000 0.04252 0.07822 = 0.06368 -0.01636 -0.02268 0.01740 N1 5 0.678383 0.268720 0.336027 11.00000 0.03671 0.04232 = 0.04118 0.00309 -0.00920 0.00281 N2 5 0.570907 0.312507 0.172041 11.00000 0.04642 0.05831 = 0.04046 0.00804 -0.01458 0.00227 AFIX 43 H2N 2 0.531421 0.361749 0.116418 11.00000 -1.20000 AFIX 0 N3 5 0.925918 0.360205 0.604244 11.00000 0.03691 0.05685 = 0.05237 0.00255 -0.01331 0.00256 N4 5 1.092639 0.358429 0.671548 11.00000 0.03025 0.05928 = 0.07951 0.00757 -0.01399 0.00452 AFIX 43 H4N 2 1.160557 0.337537 0.675246 11.00000 -1.20000 AFIX 0 C1 1 0.625887 0.376348 0.269043 11.00000 0.04510 0.04013 = 0.04614 0.00145 -0.01034 0.00450 AFIX 43 H1 2 0.627375 0.482670 0.287573 11.00000 -1.20000 AFIX 0 C2 1 0.587401 0.156295 0.175245 11.00000 0.04490 0.05514 = 0.04683 -0.01007 -0.00155 -0.01218 AFIX 43 H2 2 0.558654 0.082304 0.118461 11.00000 -1.20000 AFIX 0 C3 1 0.653375 0.129699 0.276524 11.00000 0.04185 0.03727 = 0.05762 0.00485 -0.00099 0.00205 AFIX 43 H3 2 0.678409 0.032101 0.302563 11.00000 -1.20000 AFIX 0 C4 1 1.024046 0.306969 0.582118 11.00000 0.04255 0.05621 = 0.05955 -0.00308 -0.00357 0.00357 AFIX 43 H4 2 1.042615 0.241946 0.512927 11.00000 -1.20000 AFIX 0 C5 1 1.037595 0.449269 0.755841 11.00000 0.05211 0.07217 = 0.05981 -0.00322 -0.01849 -0.00389 AFIX 43 H5 2 1.065274 0.501039 0.828429 11.00000 -1.20000 AFIX 0 C6 1 0.933936 0.449979 0.713584 11.00000 0.04160 0.07600 = 0.06595 -0.01236 -0.00680 0.00569 AFIX 43 H6 2 0.877197 0.503307 0.752966 11.00000 -1.20000 AFIX 0 HKLF 4 REM kucuk5 REM wR2 = 0.0754, GooF = S = 1.040, Restrained GooF = 1.040 for all data REM R1 = 0.0302 for 2286 Fo > 4sig(Fo) and 0.0375 for all 2663 data REM 145 parameters refined using 0 restraints END WGHT 0.0275 1.1255 REM Highest difference peak 0.610, deepest hole -0.714, 1-sigma level 0.066 Q1 1 0.7909 0.2270 0.4929 11.00000 0.05 0.61 Q2 1 0.8004 0.3496 0.4135 11.00000 0.05 0.37 Q3 1 0.7380 0.3553 0.4974 11.00000 0.05 0.36 Q4 1 0.6027 0.8317 0.6079 11.00000 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1127.69 66.89 -8 4 0 344.87 22.20 8 4 0 321.47 19.30 -8 4 0 397.06 21.80 8 -4 0 347.97 20.90 -8 -4 0 344.07 25.60 -8 -4 0 362.26 19.80 8 4 1 2432.96 125.89 -8 4 -1 2529.35 128.69 -8 4 -1 2675.83 127.89 -8 -4 -1 2777.22 133.29 -8 -4 -1 2521.25 127.89 8 -4 1 2632.04 127.49 -8 -4 -1 2697.03 125.99 8 4 2 0.90 3.00 8 4 2 0.50 2.40 -8 4 -2 4.20 4.20 -8 4 -2 -2.60 2.80 -8 -4 -2 -0.50 4.60 8 -4 2 -1.80 3.50 -8 -4 -2 6.90 2.50 -8 -4 -2 1.90 5.40 -8 4 -3 940.51 51.79 8 4 3 1011.30 50.19 -8 4 -3 1016.80 52.99 8 -4 3 1010.30 52.19 -8 -4 -3 989.90 51.99 -8 -4 -3 1121.09 58.39 -8 4 -4 25.10 5.60 -8 4 -4 33.00 5.50 8 4 4 26.60 4.20 8 4 4 32.70 5.50 -8 -4 -4 31.20 7.60 8 -4 4 34.90 5.50 -8 -4 -4 35.10 6.60 8 4 5 640.04 34.60 -8 4 -5 659.93 35.60 -8 4 -5 670.83 36.60 8 4 5 692.23 34.80 8 -4 5 717.73 36.20 -8 -4 -5 638.34 35.70 -8 -4 -5 608.34 41.30 -8 4 -6 4.50 5.40 8 4 6 7.90 4.00 8 4 6 13.30 5.40 -8 4 -6 13.60 4.90 -8 -4 -6 9.10 6.00 8 -4 6 16.00 4.30 -8 -4 -6 4.50 6.10 8 4 7 819.92 43.50 -8 4 -7 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19.90 6.20 -8 -6 -8 28.50 8.20 -8 -6 -8 21.90 8.00 -8 6 -9 42.70 7.70 8 6 9 43.20 7.00 -8 6 -9 43.20 9.40 -8 -6 -9 45.70 9.40 -8 -6 -9 41.30 12.30 -8 7 8 19.00 9.50 -8 7 8 15.50 8.80 8 -7 -8 12.30 9.80 8 -7 -8 11.50 8.60 -8 7 7 24.60 9.40 -8 7 7 22.10 7.10 -8 7 7 37.40 10.90 8 -7 -7 31.40 9.50 -8 -7 7 30.00 8.50 8 -7 -7 36.00 11.40 -8 7 6 2.80 6.90 -8 7 6 4.70 5.60 -8 7 6 -3.90 7.10 8 -7 -6 11.30 8.00 8 -7 -6 6.80 8.70 -8 -7 6 7.00 6.80 -8 7 5 76.39 13.10 -8 7 5 90.89 12.50 -8 7 5 115.79 14.60 -8 -7 5 95.89 11.10 8 -7 -5 106.79 14.20 8 -7 -5 102.09 14.60 -8 7 4 32.00 9.10 -8 7 4 27.40 8.50 -8 7 4 28.80 6.80 -8 -7 4 27.70 8.60 8 -7 -4 44.80 9.90 -8 -7 4 47.00 8.50 8 -7 -4 48.80 10.10 -8 7 3 -3.60 5.80 -8 7 3 -1.90 4.90 -8 7 3 0.70 6.30 -8 -7 3 -4.50 5.00 8 -7 -3 4.40 6.50 -8 -7 3 0.70 5.50 -8 7 2 615.84 35.60 -8 7 2 488.95 33.00 -8 7 2 479.25 31.10 -8 -7 2 558.84 37.10 8 -7 -2 527.35 32.50 -8 -7 2 537.65 30.10 -8 7 1 68.49 11.30 -8 7 1 70.59 18.20 -8 7 1 60.29 9.50 -8 -7 1 83.09 9.30 -8 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16.70 -16 2 -1 214.98 16.20 16 -2 1 198.08 17.10 16 2 2 37.80 10.20 16 -2 2 38.90 7.60 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 16263