Ferrocenyl ligands. Part 4. Structure of [1,1'-bis(diphenylphosphino)-3,3'-bis(trimethylsilyl)ferrocene]dichlorocobalt
Ahmet, M. T.; Brown, R. A.; Roberts, R. M. G.; Miller, J. R.; Silver, J.; Houlton, A.; Acta Crystallographica Section C 49 (1993) 1616–1619; doi:10.1107/S0108270193001581

data_2001379
_publ_section_title
;Ferrocenyl ligands. Part 4. Structure of
 [1,1'-bis(diphenylphosphino)-3,3'-bis(trimethylsilyl)ferrocene]dichlorocobalt
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1616
_journal_page_last               1619
_journal_paper_doi               10.1107/S0108270193001581
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C40 H44 Cl2 Co Fe P2 Si2'
_chemical_formula_weight         828.59
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.639(7)
_cell_angle_beta                 107.891(6)
_cell_angle_gamma                114.817(7)
_cell_formula_units_Z            2
_cell_length_a                   11.3947(9)
_cell_length_b                   12.6530(10)
_cell_length_c                   16.8720(10)
_cell_measurement_reflns_used    22
_cell_measurement_temperature    293
_cell_measurement_theta_max      21
_cell_measurement_theta_min      17
_cell_volume                     2073.3(3)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.042
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7552
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        2.7
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.0378
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.327
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.01
_refine_diff_density_min         -0.01
_refine_ls_goodness_of_fit_obs   0.332
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     433
_refine_ls_number_reflns         3331
_refine_ls_R_factor_obs          0.041
_refine_ls_shift/esd_max         <0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + (0.02F)^2^+1]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.046
_reflns_number_observed          3331
_reflns_number_total             7283
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            hu1021.cif
_cod_data_source_block           hu1021_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F) + (0.02F)^2^+1]' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w = 1/[\s^2^(F) +
(0.02F)^2^+1]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2073.4(3)
_cod_original_formula_sum        'C40 H44 Cl2 Co1 Fe1 P2 Si2'
_cod_database_code               2001379