Structure of <i>trans</i>-[Rh(PPh~3~)~2~(CO)(OH~2~)][ClO~4~].CH~2~Cl~2~
Cross, R. J.; Kennedy, A. R.; Manojlović-Muir, L.; Muir, K. W.; Acta Crystallographica Section C 49 (1993) 1146–1148; doi:10.1107/S0108270192012666

data_2001613
_publ_section_title
;
 Structure of
 <i>trans</i>-[Rh(PPh~3~)~2~(CO)(OH~2~)][ClO~4~].CH~2~Cl~2~
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1146
_journal_page_last               1148
_journal_paper_doi               10.1107/S0108270192012666
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C38 H34 Cl3 O6 P2 Rh'
_chemical_formula_weight         857.90
_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                86.670(10)
_cell_angle_beta                 65.150(10)
_cell_angle_gamma                78.650(10)
_cell_formula_units_Z            2
_cell_length_a                   12.158(2)
_cell_length_b                   12.689(2)
_cell_length_c                   13.8220(10)
_cell_measurement_reflns_used    22
_cell_measurement_temperature    295
_cell_measurement_theta_max      14
_cell_measurement_theta_min      12
_cell_volume                     1896.4(5)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.069
_diffrn_reflns_limit_h_max       1
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7245
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        2.8
_diffrn_standards_interval_time  120
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.782
_exptl_absorpt_correction_T_max  1.251
_exptl_absorpt_correction_T_min  0.698
_exptl_absorpt_correction_type   'empirical (DIFABS; Walker & Stuart, 1983)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.502
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.63
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.88
_refine_diff_density_min         -0.96
_refine_ls_goodness_of_fit_obs   2.91
_refine_ls_number_parameters     451
_refine_ls_number_reflns         4826
_refine_ls_R_factor_obs          0.0481
_refine_ls_shift/esd_max         0.026
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(|F~o~|)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0617
_reflns_number_observed          4826
_reflns_number_total             6635
_reflns_observed_criterion       I>=3\s(I)
_cod_data_source_file            hu1027.cif
_cod_data_source_block           hu1027_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s^2^(|F~o~|)' 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~|)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_formula_sum        'C38 H34 Cl3 O6 P2 Rh1'
_cod_database_code               2001613