Chloro(μ-6-methylpyridine-2-carboxylato)bis(6-methylpyridine-2-carboxylato)triphenylchromium(III)tin(IV) chlorotriphenyltin(IV)
Guo-Hai Xu; Jian-Fang Ma; Ying-Ying Liu; Shun-Li Li; Acta Crystallographica Section C 62 (2006) m581–m583; doi:10.1107/S0108270106043484

data_2015680
_publ_section_title
;Chloro(\m-6-methylpyridine-2-carboxylato)bis(6-methylpyridine-2-carboxylato)triphenylchromium(III)tin(IV)
 chlorotriphenyltin(IV)
;
_journal_coeditor_code           FA3038
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m581
_journal_page_last               m583
_journal_paper_doi               10.1107/S0108270106043484
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac
'[Cr Sn (C6 H5)3 (C7 H6 N O2)3 Cl] [Sn (C6 H5)3 Cl (C H4 O)]'
_chemical_formula_moiety         'C39 H33 Cl Cr N3 O6 Sn , C19 H19 Cl O Sn'
_chemical_formula_sum            'C58 H52 Cl2 Cr N3 O7 Sn2'
_chemical_formula_weight         1263.31
_chemical_name_systematic
;
Chloro(\m-6-methylpyridine-2-carboxylato)bis(6-methylpyridine-2-
carboxylato)triphenylchromium(III)tin(IV) chlorotriphenyltin(IV)
;
_space_group_IT_number           2
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_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                96.122(5)
_cell_angle_beta                 91.784(5)
_cell_angle_gamma                94.944(5)
_cell_formula_units_Z            2
_cell_length_a                   12.767(5)
_cell_length_b                   14.095(5)
_cell_length_c                   15.967(5)
_cell_measurement_reflns_used    22
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      1.6
_cell_volume                     2843.9(17)
_computing_cell_refinement       XSCANS
_computing_data_collection       'XSCANS (Siemens, 1996)'
_computing_data_reduction        XSCANS
_computing_molecular_graphics    'SHELXTL-Plus (Sheldrick, 1994)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Siemens P4'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0202
_diffrn_reflns_av_sigmaI/netI    0.0561
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_diffrn_reflns_limit_h_min       -1
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_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            11436
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.60
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.206
_exptl_absorpt_correction_T_max  0.303
_exptl_absorpt_correction_T_min  0.228
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North <i>et al.</i>,  1968)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.475
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1270
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.32
_refine_diff_density_max         0.598
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_refine_ls_number_reflns         9854
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_refine_ls_R_factor_gt           0.0325
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0263P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0696
_reflns_number_gt                7137
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_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fa3038.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

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

The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

'_symmetry_cell_setting' value
'Triclinic' changed to 'triclinic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2015680
_cod_database_fobs_code          2015680