Syntheses, crystal structures, and optical properties of polymeric iodoargentates containing transition metal-complexes with aromatic ligands
Zheng, Wei; Gao, Yan; Chen, NianNian; Wu, Bing; Jia, Dingxian; Zhao, Shengxian; Inorganica Chimica Acta 510 (2020) 119762–; doi:10.1016/j.ica.2020.119762

data_1564411
_publ_section_title
;
 Syntheses, crystal structures, and optical properties of polymeric
 iodoargentates containing transition metal-complexes with aromatic
 ligands
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119762
_journal_paper_doi               10.1016/j.ica.2020.119762
_journal_volume                  510
_journal_year                    2020
_chemical_formula_moiety         'C27 H44 Ag5 I7 N7 O6 Zn'
_chemical_formula_sum            'C27 H44 Ag5 I7 N7 O6 Zn'
_chemical_formula_weight         2055.71
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 102.901(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.3291(7)
_cell_length_b                   39.064(3)
_cell_length_c                   16.2174(15)
_cell_measurement_reflns_used    23343
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.50
_cell_measurement_theta_min      3.0
_cell_volume                     5143.4(8)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0505
_diffrn_reflns_av_unetI/netI     0.0580
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       46
_diffrn_reflns_limit_k_min       -45
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            24738
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         3.015
_exptl_absorpt_coefficient_mu    6.567
_exptl_absorpt_correction_T_max  0.560
_exptl_absorpt_correction_T_min  0.156
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.655
_exptl_crystal_description       chip
_exptl_crystal_F_000             3756
_exptl_crystal_size_max          0.450
_exptl_crystal_size_mid          0.450
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.995
_refine_diff_density_min         -1.451
_refine_diff_density_rms         0.225
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.200
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     465
_refine_ls_number_reflns         8991
_refine_ls_number_restraints     23
_refine_ls_restrained_S_all      1.206
_refine_ls_R_factor_all          0.0823
_refine_ls_R_factor_gt           0.0698
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0506P)^2^+72.7735P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1599
_refine_ls_wR_factor_ref         0.1664
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7744
_reflns_number_total             8991
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            cifofcompound5.cif
_cod_data_source_block           shelxl
_cod_original_cell_volume        5143.5(8)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1564411
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              92181
_shelx_hkl_checksum              17111