A germanium–silver complex containing aGe—Ag bond, Ag[Ge(OC~6~HPh~4~-2,3,5,6)~3~(AgOSO~2~CF~3~)]·4C~6~H~6~
Charles S. Weinert; Phillip E. Fanwick; Ian P. Rothwell; Acta Crystallographica Section E 58 (2002) m718–m720; doi:10.1107/S1600536802020585

data_2201519
_publ_section_title
;
 A germanium--silver complex containing aGe---Ag bond,
 Ag[Ge(OC~6~HPh~4~-2,3,5,6)~3~(AgOSO~2~CF~3~)]&#x00B7;4C~6~H~6~
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m718
_journal_page_last               m720
_journal_paper_doi               10.1107/S1600536802020585
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          '[Ag2 Ge1 (C F3 O3 S1) (C45 H29 O)3], 4C6 H6'
_chemical_formula_moiety         'C91 H63 Ag2 F3 Ge1 O6 S1, 4C6 H6'
_chemical_formula_sum            'C115 H87 Ag2 F3 Ge O6 S'
_chemical_formula_weight         1942.36
_chemical_name_common
;
silver[tris(2,3,5,6)-tetraphenylphenoxy)germanium(II) silver(I)
trifluorormethanesulfonate] tetrabenzene
;
_chemical_name_systematic
;
tris[\m-2,6-diphenylphenoxy(1-)-1:3\k^2^O,1\kC^2^](trifluoromethylsulfonato-
2\kO)disilvergermanium (Ag--Ge) tetrabenzene solvate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source
'International Tables for Crystallography (Vol C)'
_cell_angle_alpha                90.00
_cell_angle_beta                 92.1511(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.9593(2)
_cell_length_b                   24.3433(3)
_cell_length_c                   26.9406(4)
_cell_measurement_reflns_used    63826
_cell_measurement_temperature    150
_cell_measurement_theta_max      27.9
_cell_measurement_theta_min      2.1
_cell_volume                     9148.4(2)
_computing_cell_refinement
'DENZO and SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1998)'
_computing_data_reduction        'DENZO and SCALEPACK'
_computing_molecular_graphics
'ORTEPII (Johnson, 1976) and PLUTON (Spek, 1991)'
_computing_publication_material  'CIF VAX in MolEN (Fair, 1990)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150
_diffrn_measured_fraction_theta_full 0.9893
_diffrn_measured_fraction_theta_max 0.9893
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.060
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            63826
_diffrn_reflns_theta_full        27.9
_diffrn_reflns_theta_max         27.90
_diffrn_reflns_theta_min         2.06
_exptl_absorpt_coefficient_mu    0.825
_exptl_absorpt_correction_T_max  0.8137
_exptl_absorpt_correction_T_min  0.5738
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.41
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chunk
_exptl_crystal_F_000             3976
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.38
_refine_diff_density_min         -0.67
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.912
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1153
_refine_ls_number_reflns         21401
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.039
_refine_ls_shift/su_max          0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0352P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.074
_reflns_number_gt                15451
_reflns_number_total             21443
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            mg6018.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'YES' changed to 'yes' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (18
times).

'_geom_bond_publ_flag' value 'NO' changed to 'no' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (126 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'YES' changed to 'yes' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (18
times).

'_geom_bond_publ_flag' value 'NO' changed to 'no' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (126
times).

'_geom_angle_publ_flag' value 'YES' changed to 'yes'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (28
times).

'_geom_angle_publ_flag' value 'NO' changed to 'no' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (172 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        9148.4(4)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C115 H87 Ag2 F3 Ge1 O6 S1'
_cod_database_code               2201519
_cod_database_fobs_code          2201519