<i>cis</i>-Dichloro[bis(diphenylphosphino)ethane]palladium(II)
Singh, S.; Jha, N. K.; Narula, P.; Singh, T. P.; Acta Crystallographica Section C 51 (1995) 593–595; doi:10.1107/S0108270194007560

data_2003369
_publ_section_title
;
 <i>cis</i>-Dichloro[bis(diphenylphosphino)ethane]palladium(II)
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              593
_journal_page_last               595
_journal_paper_doi               10.1107/S0108270194007560
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        'from CH~2~Cl~2~/hexane'
_chemical_formula_moiety         'C26 H24 Cl2 P2 Pd1'
_chemical_formula_sum            'C26 H24 Cl2 P2 Pd'
_chemical_formula_weight         575.729
_space_group_IT_number           14
_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 for Pd and Cromer & Mann (1968) for other
non-H atoms
;
_cell_angle_alpha                90.
_cell_angle_beta                 99.21(1)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   11.925(1)
_cell_length_b                   13.293(3)
_cell_length_c                   16.314(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      40
_cell_measurement_theta_min      10
_cell_volume                     2552.7(7)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.050
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            3425
_diffrn_reflns_theta_max         59.8
_diffrn_standards_decay_%        5
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    9.69
_exptl_absorpt_correction_T_max  0.9950
_exptl_absorpt_correction_T_min  0.7071
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.498(5)
_exptl_crystal_description       plate
_exptl_crystal_size_max          1.00
_exptl_crystal_size_mid          0.75
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.27
_refine_diff_density_min         -0.10
_refine_ls_goodness_of_fit_obs   3.22
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     280
_refine_ls_number_reflns         2593
_refine_ls_R_factor_obs          0.084
_refine_ls_shift/esd_max         0.072
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 0.5669/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.084
_reflns_number_observed          2603
_reflns_number_total             3243
_reflns_observed_criterion       F>4\s(F)
_cod_data_source_file            mu1120.cif
_cod_data_source_block           mu1120a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 0.5669/\s^2^(F)' was changed
to 'calc'. New tag '_refine_ls_weighting_details' was created. The
value of the new tag was set to 'w = 0.5669/\s^2^(F)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C26 H24 Cl2 P2 Pd1'
_cod_database_code               2003369