1,1,1,1,4,4,4,4-Octacarbonyl-2,2,3,3,5,5,6,6-octamethyl-<i>cyclo</i>-2,3,5,6-tetraantimony-1,4-dichromium
Breunig, Hans Joachim; Lork, Enno; Moldovan, Ovidiu; Raţ, Ciprian I.; Acta Crystallographica Section C 63 (2007) m548–m549; doi:10.1107/S0108270107049943

data_2016315
_publ_section_title
1,1,1,1,4,4,4,4-Octacarbonyl-2,2,3,3,5,5,6,6-octamethyl-<i>cyclo</i>-2,3,5,6-tetraantimony-1,4-dichromium
_journal_coeditor_code           GA3072
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m548
_journal_page_last               m549
_journal_paper_doi               10.1107/S0108270107049943
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cr2 Sb4 (C H3)8 (C O)8]'
_chemical_formula_moiety         'C16 H24 Cr2 O8 Sb4'
_chemical_formula_sum            'C16 H24 Cr2 O8 Sb4'
_chemical_formula_weight         935.35
_chemical_name_common
;
bis(\m-tetramethyldistibine)bis(tetracarbonylchromium)
;
_chemical_name_systematic
;
1,1,1,1,4,4,4,4-Octacarbonyl-2,2,3,3,5,5,6,6-octamethyl-cyclo-2,3,5,6-
tetraantimony-1,4-dichromium
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 117.91(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.125(3)
_cell_length_b                   11.332(2)
_cell_length_c                   10.185(2)
_cell_measurement_reflns_used    4362
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.05
_cell_measurement_theta_min      1.65
_cell_volume                     1338.6(6)
_computing_cell_refinement       '<i>Stoe IPDS1</i> (Stoe, 1999)'
_computing_data_collection       '<i>Stoe IPDS1</i> (Stoe, 1999)'
_computing_data_reduction        '<i>Stoe IPDS1</i> (Stoe, 1999)'
_computing_molecular_graphics
;
<i>DIAMOND</i> (Brandenburg & Putz, 2006)
;
_computing_publication_material
;
<i>WinGX</i> (Farrugia, 1999) and <i>publCIF</i> (Westrip,
2007)
;
_computing_structure_refinement  '<i>SHELXL97</i> (Sheldrick, 1997)'
_computing_structure_solution    '<i>SHELXS97</i> (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Stoe IPDS-1'
_diffrn_measurement_method       \f
_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  0.0358
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            4676
_diffrn_reflns_theta_full        25.98
_diffrn_reflns_theta_max         25.98
_diffrn_reflns_theta_min         2.26
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.796
_exptl_absorpt_correction_T_max  0.6456
_exptl_absorpt_correction_T_min  0.4472
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details   '(Walker & Stuart, 1983)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.32
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             872
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.067
_refine_diff_density_min         -0.553
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.988
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     78
_refine_ls_number_reflns         1367
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.988
_refine_ls_R_factor_all          0.0313
_refine_ls_R_factor_gt           0.0237
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0352P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0534
_refine_ls_wR_factor_ref         0.0559
_reflns_number_gt                1173
_reflns_number_total             1367
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ga3072.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               2016315
_cod_database_fobs_code          2016315