{[μ,η^2^-Bis(trimethylstannyl)]acetylene}hexacarbonyldicobalt
Zachwieja, Uwe; Preut, Hans; Mitchell, Terence; Zavgorodnii, Vladislav S.; Golosovskii, Andrei V.; Klyuchinskii, Sergei A.; Acta Crystallographica Section E 57 (2001) m531–m532; doi:10.1107/S1600536801016154

data_2200793
_publ_section_title
;
 {[\m,\h^2^-Bis(trimethylstannyl)]acetylene}hexacarbonyldicobalt
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m531
_journal_page_last               m532
_journal_paper_doi               10.1107/S1600536801016154
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[Co2 (C8 H18 Sn2) (CO)6]'
_chemical_formula_moiety         'C14 H18 Co2 O6 Sn2'
_chemical_formula_sum            'C14 H18 Co2 O6 Sn2'
_chemical_formula_weight         637.52
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                91.731(16)
_cell_angle_beta                 91.17(3)
_cell_angle_gamma                109.09(2)
_cell_formula_units_Z            2
_cell_length_a                   8.659(4)
_cell_length_b                   10.0360(17)
_cell_length_c                   13.292(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293.0(10)
_cell_measurement_theta_max      15.4
_cell_measurement_theta_min      12.1
_cell_volume                     1090.5(6)
_computing_cell_refinement       'CAD4 Version 5.0 (Nonius, 1989)'
_computing_data_collection       'CAD4 Version 5.0 (Nonius, 1989)'
_computing_data_reduction        'XCAD4 (Harms, 1996)'
_computing_molecular_graphics    'SHELXTL-Plus (Sheldrick, 1991)'
_computing_publication_material
'SHELXL-97 (Sheldrick, 1997), PARST95 (Nardelli, 1995)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293.0(10)
_diffrn_measured_fraction_theta_full .997
_diffrn_measured_fraction_theta_max .997
_diffrn_measurement_device_type  'Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           AgK\a
_diffrn_radiation_wavelength     .56083
_diffrn_reflns_av_R_equivalents  .019
_diffrn_reflns_av_sigmaI/netI    .025
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9426
_diffrn_reflns_theta_full        21.0
_diffrn_reflns_theta_max         21.0
_diffrn_reflns_theta_min         3.0
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.98
_exptl_absorpt_correction_T_max  .997
_exptl_absorpt_correction_T_min  .620
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details
;
 (WinGX; Farrugia, 1999; North et al., 1968)
;
_exptl_crystal_colour            red-brown
_exptl_crystal_density_diffrn    1.942
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             608
_exptl_crystal_size_max          .40
_exptl_crystal_size_mid          .30
_exptl_crystal_size_min          .05
_refine_diff_density_max         1.15
_refine_diff_density_min         -1.54
_refine_ls_extinction_coef       .0075(11)
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.03
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     224
_refine_ls_number_reflns         4713
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.03
_refine_ls_R_factor_all          .047
_refine_ls_R_factor_gt           .034
_refine_ls_shift/su_max          .002
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0639P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .091
_reflns_number_gt                3813
_reflns_number_total             4713
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ya6054.cif
_cod_data_source_block           I
_cod_database_code               2200793
_cod_database_fobs_code          2200793