[Pd{P(C~5~H~10~N)Ph~2~}~2~Cl~2~]
Burrow, R.A.; Farrar, D.H.; Honeyman, C.H.; Acta Crystallographica Section C 50 (1994) 681–683; doi:10.1107/S0108270193007693

data_2009684
_publ_section_title
;
 [Pd{P(C~5~H~10~N)Ph~2~}~2~Cl~2~]
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              681
_journal_page_last               683
_journal_paper_doi               10.1107/S0108270193007693
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C34 H40 Cl2 N2 P2 Pd'
_chemical_formula_weight         715.9
_space_group_IT_number           58
_space_group_name_Hall           '-P 2 2n'
_space_group_name_H-M_alt        'P n n m'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   8.210(2)
_cell_length_b                   12.334(3)
_cell_length_c                   16.354(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      15
_cell_measurement_theta_min      12
_cell_volume                     1656.0(8)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.021
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2120
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        9.8
_diffrn_standards_interval_time  180
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.76
_exptl_absorpt_correction_T_max  1.301
_exptl_absorpt_correction_T_min  0.789
_exptl_absorpt_correction_type   'empirical (DIFABS; Walker & Stuart, 1983)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.44
_exptl_crystal_description       Block
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.56
_refine_diff_density_min         -0.63
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   3.26
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     104
_refine_ls_number_reflns         1205
_refine_ls_R_factor_obs          0.0455
_refine_ls_shift/esd_max         0.001
_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         0.0470
_reflns_number_observed          1205
_reflns_number_total             1423
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            cd1043.cif
_cod_data_source_block           cd1043_structure_1_of_1
_cod_depositor_comments
;

    Adding symmetry operators
        0.5+x,0.5-y,0.5-z
        -x,-y,-z
        -x,-y,z
        0.5-x,0.5+y,0.5-z
    to '_symmetry_equiv_pos_as_xyz' loop, because:

    a) Supplemented set of symmetry operators are full set of 'P n n m'
       spacegroup, which is indicated by publication authors;

    b) After the addition of symmetry operators the contents of
       reconstructed cell matches formula 'C34 H40 Cl2 N2 P2 Pd', as
       given by publication authors.

    Andrius Merkys
    2014-06-18

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        1656.1
_cod_database_code               2009684