Structure of <i>cis</i>-[1,2-bis(dicyclohexylphosphino)ethane-<i>P</i>,<i>P</i>']dichloroplatinum(II) chloroform solvate
Mague, J. T.; Fink, M. J.; Recatto, C. A.; Acta Crystallographica Section C 49 (1993) 1176–1178; doi:10.1107/S0108270192011697

data_2001627
_publ_section_title
;Structure of
 <i>cis</i>-[1,2-bis(dicyclohexylphosphino)ethane-<i>P</i>,<i>P</i>']dichloroplatinum(II)
 chloroform solvate
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1176
_journal_page_last               1178
_journal_paper_doi               10.1107/S0108270192011697
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C26 H48 Cl2 P2 Pt,0.75C1 H1 Cl3'
_chemical_formula_sum            'C27 H49 Cl4 P2 Pt'
_chemical_formula_weight         778.20
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 109.719(8)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   11.7710(10)
_cell_length_b                   20.353(3)
_cell_length_c                   14.704(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      15.83
_cell_measurement_theta_min      11.36
_cell_volume                     3316.1(7)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method
'\w/2\q, width (0.8+0.2tan\q)\%, speed 16.4-1.3\% min^-1^'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.023
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            5659
_diffrn_reflns_theta_max         24
_diffrn_standards_decay_%        '14.5% over 4200 min'
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.79
_exptl_absorpt_correction_T_max  0.9990
_exptl_absorpt_correction_T_min  0.7687
_exptl_absorpt_correction_type
;
empirical (\y scans)
;
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.56
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.22
_refine_diff_density_max         1.37
_refine_diff_density_min         -0.19
_refine_ls_goodness_of_fit_obs   1.394
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     308
_refine_ls_number_reflns         3263
_refine_ls_R_factor_obs          0.035
_refine_ls_shift/esd_max         0.10
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 4F/[(I)^2^+(0.04F^2^)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.045
_reflns_number_observed          3263
_reflns_number_total             5197
_reflns_observed_criterion       '[I>2\s(I)]'
_cod_data_source_file            br1017.cif
_cod_data_source_block           br1017_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '4F/[(I)^2^+(0.04F^2^)^2^]' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
4F/[(I)^2^+(0.04F^2^)^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3316.0(10)
_cod_original_formula_sum        'C27 H49 Cl4 P2 Pt1'
_cod_database_code               2001627