Tris(μ-acetato)-μ-[(2-bromophenyl)(<i>o</i>-phenylene)phenylphosphine-<i>C</i>:<i>P</i>]tricyclohexylphosphinedirhodium(II)
García-Granda, S.; Díaz, M. R.; Gómez-Beltrán, F.; Peris, E.; Lahuerta, P.; Acta Crystallographica Section C 50 (1994) 691–693; doi:10.1107/S0108270193010935

data_2009709
_publ_section_title
Tris(\m-acetato)-\m-[(2-bromophenyl)(<i>o</i>-phenylene)phenylphosphine-<i>C</i>:<i>P</i>]tricyclohexylphosphinedirhodium(II)
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              691
_journal_page_last               693
_journal_paper_doi               10.1107/S0108270193010935
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C43 H56 Br Cl3 O6 P2 Rh2'
_chemical_formula_weight         1122.93
_space_group_IT_number           1
_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                84.90(2)
_cell_angle_beta                 69.74(2)
_cell_angle_gamma                84.52(2)
_cell_formula_units_Z            1
_cell_length_a                   9.828(2)
_cell_length_b                   9.922(2)
_cell_length_c                   13.074(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      23
_cell_measurement_theta_min      20
_cell_volume                     1188.4(5)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.025
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            10494
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        0.98-1.06
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.79
_exptl_absorpt_correction_T_max  1.18
_exptl_absorpt_correction_T_min  0.72
_exptl_absorpt_correction_type   'empirical (DIFABS; Walker & Stuart, 1983)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.57
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.26
_refine_diff_density_max         1.94
_refine_diff_density_min         -1.49
_refine_ls_goodness_of_fit_obs   2.0142
_refine_ls_number_parameters     653
_refine_ls_number_reflns         8741
_refine_ls_R_factor_obs          0.035
_refine_ls_shift/esd_max         0.4
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F~o~) + 0.00040F~o~^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.037
_reflns_number_observed          8741
_reflns_number_total             9205
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            hu1056.cif
_cod_data_source_block           hu1056_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F~o~) +
0.00040F~o~^2^]' 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~o~) + 0.00040F~o~^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1188.3(5)
_cod_original_formula_sum        'C43 H56 Br1 Cl3 O6 P2 Rh2'
_cod_database_code               2009709