<i>trans</i>-Chloro(methyl)bis(triphenylarsine)palladium(II)
Rath, N. P.; Ladipo, F. T.; Anderson, G. K.; Acta Crystallographica Section C 51 (1995) 1289–1290; doi:10.1107/S010827019401485X

data_2003658
_publ_section_title
;
 <i>trans</i>-Chloro(methyl)bis(triphenylarsine)palladium(II)
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1289
_journal_page_last               1290
_journal_paper_doi               10.1107/S010827019401485X
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C37 H33 As2 Cl Pd'
_chemical_formula_weight         769.32
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 111.48(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.793(3)
_cell_length_b                   23.267(3)
_cell_length_c                   12.7130(10)
_cell_measurement_reflns_used    23
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      19.49
_cell_measurement_theta_min      11.18
_cell_volume                     3246.0(11)
_computing_cell_refinement       'Siemens P3 data collection software'
_computing_data_collection       'Siemens P3 data collection software'
_computing_data_reduction        'XDISK (Siemens, 1991)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  'SHELXTL-Plus (Sheldrick, 1991)'
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXTL-Plus (Sheldrick, 1991)'
_diffrn_ambient_temperature      298(2)
_diffrn_measurement_device       'Siemens R3'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0630
_diffrn_reflns_av_sigmaI/netI    0.0764
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8371
_diffrn_reflns_theta_max         30.07
_diffrn_reflns_theta_min         1.75
_diffrn_standards_decay_%        2
_diffrn_standards_interval_count 50
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.702
_exptl_absorpt_correction_T_max  0.3634
_exptl_absorpt_correction_T_min  0.2656
_exptl_absorpt_correction_type   'semi-empirical (SHELXTL-Plus XEMP)'
_exptl_crystal_colour            yellow-orange
_exptl_crystal_density_diffrn    1.574
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             1536
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.746
_refine_diff_density_min         -0.358
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.815
_refine_ls_goodness_of_fit_obs   0.996
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     491
_refine_ls_number_reflns         7955
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.816
_refine_ls_restrained_S_obs      0.996
_refine_ls_R_factor_all          0.0812
_refine_ls_R_factor_obs          0.0365
_refine_ls_shift/esd_max         0.598
_refine_ls_shift/esd_mean        0.025
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;
calc w = 1/[\s^2^(F~o~^2^) + (0.0380P)^2^]
where P = (F~o~^2^ + 2F~c~^2^)/3
;
_refine_ls_wR_factor_all         0.0807
_refine_ls_wR_factor_obs         0.0723
_reflns_number_observed          4500
_reflns_number_total             7957
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            fg1047.cif
_cod_data_source_block           TOZ
_cod_original_cell_volume        3246.0(10)
_cod_original_sg_symbol_H-M      'P 21 /n'
_cod_database_code               2003658