Di-μ-chlorido-bis[chlorido(dimethoxyphenylphosphine)palladium(II)]
Slawin, Alexandra M. Z.; Waddell, Paul G.; Woollins, J. Derek; Acta Crystallographica Section E 66 (2010) m499–; doi:10.1107/S1600536810012055

data_2225767
_publ_section_title
;
 Di-\m-chlorido-bis[chlorido(dimethoxyphenylphosphine)palladium(II)]
;
_journal_coeditor_code           BR2142
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m499
_journal_paper_doi               10.1107/S1600536810012055
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Pd2 Cl4 (C8 H11 O2 P)2]'
_chemical_formula_moiety         'C16 H22 Cl4 O4 P2 Pd2'
_chemical_formula_sum            'C16 H22 Cl4 O4 P2 Pd2'
_chemical_formula_weight         694.91
_chemical_name_systematic
;
Di-\m-chlorido-bis[chlorido(dimethoxyphenylphosphine)palladium(II)]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                87.54(3)
_cell_angle_beta                 89.55(3)
_cell_angle_gamma                69.46(2)
_cell_formula_units_Z            1
_cell_length_a                   7.078(3)
_cell_length_b                   8.938(3)
_cell_length_c                   9.838(5)
_cell_measurement_reflns_used    2478
_cell_measurement_temperature    125
_cell_measurement_theta_max      26.37
_cell_measurement_theta_min      2.07
_cell_volume                     582.3(4)
_computing_cell_refinement       'SCXMini (Rigaku, 2006)'
_computing_data_collection       'SCXMini (Rigaku, 2006)'
_computing_data_reduction        'SCXMini (Rigaku, 2006)'
_computing_molecular_graphics    'CrystalStructure (Rigaku, 2009)'
_computing_publication_material  'CrystalStructure (Rigaku, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      125
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Rigaku Mercury70 CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0419
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            6130
_diffrn_reflns_theta_full        25.36
_diffrn_reflns_theta_max         25.36
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.161
_exptl_absorpt_correction_T_max  0.823
_exptl_absorpt_correction_T_min  0.591
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.982
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             340.00
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.580
_refine_diff_density_min         -0.670
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     127
_refine_ls_number_reflns         2087
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0366
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0152P)^2^+1.7632P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0753
_reflns_number_gt                1993
_reflns_number_total             2087
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            br2142.cif
_cod_data_source_block           I
_cod_database_code               2225767
_cod_database_fobs_code          2225767