(??5-Cyclopentadienyl)(??4-di- and tetra-phosphorylcyclobutadiene)cobalt(i): Synthesis, structure, and formation of 1-D coordination polymerElectronic supplementary information available: Synthetic procedure, physical data, and crystallographic data. See http://www.rsc.org/suppdata/cc/b2/b204779a/
Sasaki, Shigeru; Tanabe, Yoshihiro; Yoshifuji, Masaaki; Chemical Communications  (2002) 1876–; doi:10.1039/b204779a

data_7114475
_publ_section_title
;
 (??5-Cyclopentadienyl)(??4-di- and
 tetra-phosphorylcyclobutadiene)cobalt(i): Synthesis, structure, and
 formation of 1-D coordination polymerElectronic supplementary information
 available: Synthetic procedure, physical data, and crystallographic data.
 See http://www.rsc.org/suppdata/cc/b2/b204779a/
;
_journal_issue                   17
_journal_name_full               'Chemical Communications'
_journal_page_first              1876
_journal_paper_doi               10.1039/b204779a
_journal_year                    2002
_chemical_formula_moiety         'C45 H35 Co O2 P2, C2 H6 O1 '
_chemical_formula_sum            'C47 H41 Co O3 P2'
_chemical_formula_weight         774.72
_chemical_melting_point          550.0(10)
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             'Fri Feb  1 23:24:37 2002'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                105.17(2)
_cell_angle_beta                 97.21(1)
_cell_angle_gamma                97.70(4)
_cell_formula_units_Z            2
_cell_length_a                   12.41(2)
_cell_length_b                   16.793(4)
_cell_length_c                   9.731(2)
_cell_measurement_temperature    120.2
_cell_volume                     1912(3)
_computing_cell_refinement       PROCESS
_computing_data_collection       PROCESS
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 0.010000
_diffrn_measured_fraction_theta_full 0.9197
_diffrn_measured_fraction_theta_max 0.9197
_diffrn_measurement_device_type  'Rigaku RAXIS-IV Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.032
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            10597
_diffrn_reflns_theta_full        25.06
_diffrn_reflns_theta_max         25.06
_exptl_absorpt_coefficient_mu    0.575
_exptl_absorpt_correction_T_max  0.972
_exptl_absorpt_correction_T_min  0.000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.345
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.57
_refine_diff_density_min         -0.57
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.748
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     482
_refine_ls_number_reflns         6242
_refine_ls_R_factor_gt           0.0440
_refine_ls_shift/su_max          0.0070
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00141|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0912
_reflns_number_gt                5213
_reflns_number_total             6242
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b204779a.txt
_cod_data_source_block           cpcocb
_cod_depositor_comments
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The following automatic conversions were performed:

'_chemical_melting_point' value '549-551' was changed to '550.0(10)'
- the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        1912(2)
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C47 H41 Co O3 P2 '
_cod_database_code               7114475