(??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_7114476
_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         '2(C25 H45 Ce1 Co1 N3 O21 P4) '
_chemical_formula_sum            'C50 H90 Ce2 Co2 N6 O42 P8'
_chemical_formula_weight         2093.17
_chemical_melting_point_gt       573
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             'Fri Feb 1 23:22:00 2002'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 106.65(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.845(3)
_cell_length_b                   20.469(4)
_cell_length_c                   21.270(8)
_cell_measurement_temperature    120.2
_cell_volume                     7861(4)
_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    'DIRDIF94 (PATTY)'
_diffrn_detector_area_resol_mean 0.010000
_diffrn_measured_fraction_theta_full 0.9545
_diffrn_measured_fraction_theta_max 0.9545
_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  0.034
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            14426
_diffrn_reflns_theta_full        25.55
_diffrn_reflns_theta_max         25.55
_exptl_absorpt_coefficient_mu    1.812
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.769
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.450
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.35
_refine_diff_density_min         -1.14
_refine_ls_extinction_coef       0.00024(5)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.136
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     992
_refine_ls_number_reflns         14038
_refine_ls_R_factor_gt           0.0413
_refine_ls_shift/su_max          0.0041
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00090|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0554
_reflns_number_gt                10968
_reflns_number_total             14038
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b204779a.txt
_cod_data_source_block           c4p4coce
_cod_depositor_comments
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The following automatic conversions were performed:

'_chemical_melting_point' tag was changed to
'_chemical_melting_point_gt' since the value was specified 'more
than' ('>') a certain temperature. The value '>573' was changed to
'573' - it should be numeric and without a unit designator.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        7860(3)
_cod_original_formula_sum        'C50 H90 Ce2 Co2 N6 O42 P8 '
_cod_database_code               7114476