<i>cis</i>-Dichloro[1,2-bis(dicyclohexylphosphino)ethane]palladium(II)
Ganguly, S.; Mague, J.T.; Roundhill, D.M.; Acta Crystallographica Section C 50 (1994) 217–219; doi:10.1107/S0108270193007553

data_2009436
_publ_section_title
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 <i>cis</i>-Dichloro[1,2-bis(dicyclohexylphosphino)ethane]palladium(II)
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              217
_journal_page_last               219
_journal_paper_doi               10.1107/S0108270193007553
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C26 H48 Cl2 P2 Pd'
_chemical_formula_weight         600.01
_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                93.231(8)
_cell_angle_beta                 107.931(7)
_cell_angle_gamma                99.920(8)
_cell_formula_units_Z            1
_cell_length_a                   7.3983(7)
_cell_length_b                   9.4330(10)
_cell_length_c                   10.8250(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      16.80
_cell_measurement_theta_min      12.05
_cell_volume                     703.18(13)
_diffrn_measurement_device       CAD-4
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            3292
_diffrn_reflns_theta_max         27
_diffrn_standards_decay_%        -2.1
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.97
_exptl_absorpt_correction_T_max  0.997
_exptl_absorpt_correction_T_min  0.836
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'Light yellow'
_exptl_crystal_density_diffrn    1.42
_exptl_crystal_description       Plate
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.371
_refine_diff_density_min         -0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.068
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     277
_refine_ls_number_reflns         3114
_refine_ls_R_factor_obs          0.022
_refine_ls_shift/esd_max         0.05
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 4F/{[\s(I)]^2^ + (0.04F^2^)^2^}'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.030
_reflns_number_observed          3114
_reflns_number_total             3292
_reflns_observed_criterion       I>=3\s(I)
_cod_data_source_file            br1038.cif
_cod_data_source_block           br1038_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 4F/{[\s(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/{[\s(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        703.2(3)
_cod_original_formula_sum        'C26 H48 Cl2 P2 Pd1'
_cod_database_code               2009436