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_4341094
_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 Se'
_chemical_formula_sum            'C21 H28 Ge N2 Se'
_chemical_formula_weight         460.02
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           19
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_cell_length_c                   20.231(3)
_cell_measurement_reflns_used    6353
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.18
_cell_measurement_theta_min      2.52
_cell_volume                     2081.0(5)
_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 1.000
_diffrn_measured_fraction_theta_max 1.000
_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
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_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            10896
_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         2.01
_exptl_absorpt_coefficient_mu    3.227
_exptl_absorpt_correction_T_max  0.173
_exptl_absorpt_correction_T_min  0.025
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.468
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             936
_exptl_crystal_size_max          0.55
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_refine_diff_density_max         0.374
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.002(8)
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
_refine_ls_number_parameters     232
_refine_ls_number_reflns         3662
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_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0226
_refine_ls_R_factor_gt           0.0212
_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^)+(0.0229P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0493
_refine_ls_wR_factor_ref         0.0499
_reflns_number_gt                3523
_reflns_number_total             3662
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5008389_si_001.cif
_cod_data_source_block           compound4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4341093--4341096.cif.
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_cod_database_code               4341094