Dichlorido[1,1-(diphenylphosphino)hydrazide]palladium(II) dichloromethane monosolvate
Höhne, Martha; Aluri, Bhaskar R.; Spannenberg, Anke; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe; IUCrData 4 (2019) x181803–; doi:10.1107/S2414314618018035

data_1550458
_publ_section_title
;
 Dichlorido[1,1-(diphenylphosphino)hydrazide]palladium(II) dichloromethane
 monosolvate
;
_journal_coeditor_code           SJ4198
_journal_issue                   1
_journal_name_full               IUCrData
_journal_page_first              x181803
_journal_paper_doi               10.1107/S2414314618018035
_journal_volume                  4
_journal_year                    2019
_chemical_formula_iupac          'Pd Cl2 [C24 H22 N2 P2], C H2 Cl2'
_chemical_formula_moiety         'C24 H22 Cl2 N2 P2 Pd, C H2 Cl2'
_chemical_formula_sum            'C25 H24 Cl4 N2 P2 Pd'
_chemical_formula_weight         662.60
_chemical_name_systematic
;
Dichlorido[1,1-(diphenylphosphino)hydrazide]palladium(II) dichloromethane
monosolvate
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 105.3240(19)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.7085(3)
_cell_length_b                   16.9319(3)
_cell_length_c                   15.2399(4)
_cell_measurement_reflns_used    16993
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      29.67
_cell_measurement_theta_min      1.80
_cell_volume                     2913.85(12)
_computing_cell_refinement
;
X-SHAPE  (Stoe & Cie, 2005) and X-AREA (Stoe & Cie, 2012)
;
_computing_data_collection
;
X-SHAPE  (Stoe & Cie, 2005) and X-AREA (Stoe & Cie, 2012)
;
_computing_data_reduction
;
X-SHAPE  (Stoe & Cie, 2005) and X-AREA (Stoe & Cie, 2012)
;
_computing_molecular_graphics
;
XP in SHELXTL (Sheldrick, 2008)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
<i>SHELXL2014/7</i> (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'STOE IPDS II'
_diffrn_measurement_method       'omega scans'
_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  0.0267
_diffrn_reflns_av_unetI/netI     0.0180
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            50295
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.999
_diffrn_reflns_theta_min         1.835
_exptl_absorpt_coefficient_mu    1.130
_exptl_absorpt_correction_T_max  0.8969
_exptl_absorpt_correction_T_min  0.6205
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
(X-SHAPE; Stoe & Cie, 2005)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.510
_exptl_crystal_description       prism
_exptl_crystal_F_000             1328
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.454
_refine_diff_density_min         -0.474
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     265
_refine_ls_number_reflns         7032
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0277
_refine_ls_R_factor_gt           0.0222
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0388P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0559
_refine_ls_wR_factor_ref         0.0569
_reflns_number_gt                6060
_reflns_number_total             7032
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            sj4198sup1.cif
_cod_data_source_block           I
_cod_depositor_comments          'Adding full bibliography for 1550458.cif.'
_cod_database_code               1550458
_cod_database_fobs_code          1550458
_shelx_hkl_checksum              77311
_shelx_res_checksum              35263
_shelx_fab_checksum              52181