<i>cis</i>-Bis[(3-aminopropyl)dimethylphosphine-κ^2^<i>N</i>,<i>P</i>]palladium(II) dichloride methanol solvate
Suzuki, Takayoshi; Hasegawa, Atsushi; Yamaguchi, Hiroshi; Kashiwabara, Kazuo; Takagi, Hideo D.; Acta Crystallographica Section C 62 (2006) m461–m463; doi:10.1107/S0108270106023596

data_2015616
_publ_section_title
;<i>cis</i>-Bis[(3-aminopropyl)dimethylphosphine-\k^2^<i>N</i>,<i>P</i>]palladium(II)
 dichloride methanol solvate
;
_journal_coeditor_code           OB3009
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m461
_journal_page_last               m463
_journal_paper_doi               10.1107/S0108270106023596
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Pd (C5 H14 N P)2] Cl2, C H4 O'
_chemical_formula_moiety         'C10 H28 N2 P2 Pd 2+, 2Cl -, C H4 O'
_chemical_formula_sum            'C11 H32 Cl2 N2 O P2 Pd'
_chemical_formula_weight         447.65
_chemical_name_systematic
;
cis-Bis[(3-aminopropyl)dimethylphosphine-\k^2^N,P]palladium(II)
dichloride methanol solvate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 94.228(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.904(6)
_cell_length_b                   9.654(6)
_cell_length_c                   20.130(13)
_cell_measurement_reflns_used    5814
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     1919(2)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku, 2001)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2004)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>,  1994)'
_diffrn_ambient_temperature      193(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0244
_diffrn_reflns_av_sigmaI/netI    0.0234
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            14453
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.07
_exptl_absorpt_coefficient_mu    1.407
_exptl_absorpt_correction_T_max  0.8721
_exptl_absorpt_correction_T_min  0.7661
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.549
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             920
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.571
_refine_diff_density_min         -0.485
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.114
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     177
_refine_ls_number_reflns         4289
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.114
_refine_ls_R_factor_all          0.0342
_refine_ls_R_factor_gt           0.0289
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0206P)^2^+1.828P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0545
_refine_ls_wR_factor_ref         0.0562
_reflns_number_gt                4026
_reflns_number_total             4289
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ob3009.cif
_cod_data_source_block           I
_cod_original_cell_volume        1920(2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2015616
_cod_database_fobs_code          2015616