A hexacarbonyldicobalt(0) complex of a `magazine-rack' molecule, [(η^2^-<i>C</i>~32~H~20~)Co~2~(CO)~6~]·CH~2~Cl~2~
Orita, Akihiro; Jiang, Lasheng; Ye, Fangguo; Imai, Nobuyuki; Akashi, Haruo; Otera, Junzo; Acta Crystallographica Section E 58 (2002) m681–m683; doi:10.1107/S1600536802019281

data_2201666
_publ_section_title
;
 A hexacarbonyldicobalt(0) complex of a `magazine-rack' molecule,
 [(\h^2^-<i>C</i>~32~H~20~)Co~2~(CO)~6~]&#x00B7;CH~2~Cl~2~
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m681
_journal_page_last               m683
_journal_paper_doi               10.1107/S1600536802019281
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          '[Co2 (C32 H20) (C1 O1)6], C H2 Cl2'
_chemical_formula_moiety         'C38 H20 Co2 O6, C H2 Cl2'
_chemical_formula_sum            'C39 H22 Cl2 Co2 O6'
_chemical_formula_weight         775.37
_chemical_name_systematic
;
\m-pentacyclo[26.4.0.0^9,14^.0^17,22^.0^25,30^]dotriaconta-
1,3,5,9,11,13,15,17,19,21,25,27,29,31-tetradecaene-7,24-diyne-
bis(tricarbonylcobalt) dichloromethane solvate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.5840(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.0348(3)
_cell_length_b                   10.9999(3)
_cell_length_c                   23.8599(5)
_cell_measurement_reflns_used    9554
_cell_measurement_temperature    113.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.9
_cell_volume                     3410.12(14)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'TEXSAN (Rigaku, 1999)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1998)'
_computing_publication_material
;
CrystalStructure (Molecular Structure Corporation & Rigaku, 2001)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997) '
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9584
_diffrn_measured_fraction_theta_max 0.9584
_diffrn_measurement_device_type  'Rigaku R-AXIS-IV'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.019
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            18119
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_standards_decay_%        none
_diffrn_standards_interval_time  20
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.177
_exptl_absorpt_correction_T_max  0.889
_exptl_absorpt_correction_T_min  0.719
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            'dark purple'
_exptl_crystal_density_diffrn    1.510
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.44
_refine_diff_density_min         -0.72
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.903
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     464
_refine_ls_number_reflns         7523
_refine_ls_R_factor_gt           0.0260
_refine_ls_shift/su_max          <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[0.002Fo^2^ + \s^2^(Fo)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0890
_reflns_number_gt                6460
_reflns_number_total             7873
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            wn6120.cif
_cod_data_source_block           I
_cod_original_cell_volume        3410.10(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C39 H22 Cl2 Co2 O6 '
_cod_database_code               2201666
_cod_database_fobs_code          2201666