Use of thio and seleno germanones as ligands: silver(i) halide complexes with ge═e→ ag-I (e = s, se) moieties and chalcogen-dependent argentophilic interaction.
Yadav, Dhirendra; Siwatch, Rahul Kumar; Mukherjee, Goutam; Rajaraman, Gopalan; Nagendran, Selvarajan; Inorganic chemistry 53 (2014) 10054–10059; doi:10.1021/ic5008389

data_4341093
_publ_section_title
;
 Use of thio and seleno germanones as ligands: silver(i) halide complexes
 with ge&#x2550;e\\rightarrow ag-I (e = s, se) moieties and
 chalcogen-dependent argentophilic interaction.
;
_journal_issue                   19
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10054
_journal_page_last               10059
_journal_paper_doi               10.1021/ic5008389
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C21 H28 Ge N2 S'
_chemical_formula_sum            'C21 H28 Ge N2 S'
_chemical_formula_weight         413.13
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.7901(18)
_cell_length_b                   11.461(2)
_cell_length_c                   20.172(4)
_cell_measurement_reflns_used    3154
_cell_measurement_temperature    100(2)
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_cell_measurement_theta_min      0.478
_cell_volume                     2032.2(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0223
_diffrn_reflns_av_sigmaI/netI    0.0457
_diffrn_reflns_limit_h_max       9
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_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            5751
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_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.04
_exptl_absorpt_coefficient_mu    1.616
_exptl_absorpt_correction_T_max  0.596
_exptl_absorpt_correction_T_min  0.488
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.350
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             864
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.41
_exptl_crystal_size_min          0.32
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.010(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         3154
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0253
_refine_ls_R_factor_gt           0.0221
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0194P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0557
_refine_ls_wR_factor_ref         0.0563
_reflns_number_gt                2965
_reflns_number_total             3154
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5008389_si_001.cif
_cod_data_source_block           compound3
_cod_depositor_comments
'Adding full bibliography for 4341093--4341096.cif.'
_cod_database_code               4341093