Structure of [1,2-bis(diphenylphosphino)ethane]chloro(η^5^-cyclopentadienyl)ruthenium(II)
Suravajjala, S.; Porter, L. C.; Acta Crystallographica Section C 49 (1993) 1456–1458; doi:10.1107/S0108270193001386

data_2001435
_publ_section_title
;Structure of
 [1,2-bis(diphenylphosphino)ethane]chloro(\h^5^-cyclopentadienyl)ruthenium(II)
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1456
_journal_page_last               1458
_journal_paper_doi               10.1107/S0108270193001386
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C32 H30 Cl4 P2 Ru'
_chemical_formula_weight         719.4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 108.99(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.582(7)
_cell_length_b                   10.816(5)
_cell_length_c                   19.701(10)
_cell_measurement_reflns_used    47
_cell_measurement_temperature    295
_cell_measurement_theta_max      15
_cell_measurement_theta_min      7.5
_cell_volume                     3140(3)
_diffrn_measurement_device       'Siemens R3m/V'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.033
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            4315
_diffrn_reflns_theta_max         22.5
_diffrn_standards_decay_%        <2
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.955
_exptl_absorpt_correction_T_max  0.418
_exptl_absorpt_correction_T_min  0.287
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.522
_exptl_crystal_description       irregular
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.80
_exptl_crystal_size_min          0.70
_refine_diff_density_max         -0.62
_refine_diff_density_min         0.51
_refine_ls_goodness_of_fit_obs   0.79
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     304
_refine_ls_number_reflns         4135
_refine_ls_R_factor_obs          4.82
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = [\s^2^(F) + 0.0064F^2^]^-1^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         7.50
_reflns_number_observed          4136
_reflns_number_total             4136
_cod_data_source_file            hh1036.cif
_cod_data_source_block           hh1036_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '[\s^2^(F) + 0.0064F^2^]^-1^' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w = [\s^2^(F) +
0.0064F^2^]^-1^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_formula_sum        'C32 H30 Cl4 P2 Ru1'
_cod_database_code               2001435