<i>trans</i>-Di-μ-chloro-bis[chloro(tributylphosphine)palladium]
Chaloner, P. A.; Dewa, S. Z.; Hitchcock, P. B.; Acta Crystallographica Section C 51 (1995) 232–233; doi:10.1107/S0108270194010255

data_2010469
_publ_section_title
;
 <i>trans</i>-Di-\m-chloro-bis[chloro(tributylphosphine)palladium]
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              232
_journal_page_last               233
_journal_paper_doi               10.1107/S0108270194010255
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         '[Pd2 Cl4 (C12 H27 P1)2 ]'
_chemical_formula_sum            'C24 H54 Cl4 P2 Pd2'
_chemical_formula_weight         762.3
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_type_scat_source           'MolEN (Fair, 1990)'
_cell_angle_alpha                90.0
_cell_angle_beta                 113.80(4)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   21.728(9)
_cell_length_b                   12.624(6)
_cell_length_c                   13.838(7)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      10
_cell_measurement_theta_min      7
_cell_volume                     3473(3)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.02
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            3272
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        -0.6
_diffrn_standards_interval_time  60
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.44
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.90
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.46
_exptl_crystal_description       block
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.46
_refine_diff_density_min         -0.16
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.4
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     148
_refine_ls_number_reflns         2463
_refine_ls_R_factor_obs          0.035
_refine_ls_shift/esd_max         0.09
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.046
_reflns_number_observed          2463
_reflns_number_total             3194
_reflns_observed_criterion       |F^2^|>2\s(F^2^)
_cod_data_source_file            hu1114.cif
_cod_data_source_block           hu1114_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\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 = 1/\s^2^(F)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3473
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2010469