Synthesis, Coordination Chemistry, and Catalysis of the First 1,2-Bis(diphenylphosphino)-1,2-diphenylhydrazine, Ph2PN(Ph)N(Ph)PPh2†
Aluri, Bhaskar R.; Peulecke, Normen; Müller, Bernd H.; Peitz, Stephan; Spannenberg, Anke; Hapke, Marko; Rosenthal, Uwe; Organometallics 29 (2010) 226–; doi:10.1021/om900925b

data_4067404
_publ_section_title
;
 Synthesis, Coordination Chemistry, and Catalysis of the First
 1,2-Bis(diphenylphosphino)-1,2-diphenylhydrazine,
 Ph2PN(Ph)N(Ph)PPh2&#x2020;
;
_journal_issue                   1
_journal_name_full               Organometallics
_journal_page_first              226
_journal_paper_doi               10.1021/om900925b
_journal_volume                  29
_journal_year                    2010
_chemical_formula_sum            'C37 H31 Cl5 N2 P2 Pd'
_chemical_formula_weight         849.23
_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'
_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                 93.5968(16)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.34584(18)
_cell_length_b                   18.8018(3)
_cell_length_c                   21.4718(4)
_cell_measurement_reflns_used    57258
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      29.57
_cell_measurement_theta_min      1.90
_cell_volume                     3765.56(12)
_computing_cell_refinement       'IPDS Program Package'
_computing_data_collection       'IPDS Program Package (Stoe & Cie, 2005)'
_computing_data_reduction        'IPDS Program Package'
_computing_molecular_graphics    'XP in SHELXTL'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (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       'rotation method'
_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  0.0282
_diffrn_reflns_av_sigmaI/netI    0.0212
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            62079
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.90
_exptl_absorpt_coefficient_mu    0.962
_exptl_absorpt_correction_T_max  0.8929
_exptl_absorpt_correction_T_min  0.7683
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'X-SHAPE (Stoe & Cie, 2005)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.498
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1712
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.827
_refine_diff_density_min         -0.699
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.964
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     424
_refine_ls_number_reflns         8653
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.964
_refine_ls_R_factor_all          0.0325
_refine_ls_R_factor_gt           0.0236
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0390P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0572
_refine_ls_wR_factor_ref         0.0587
_reflns_number_gt                7075
_reflns_number_total             8653
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om900925b_si_002.cif
_cod_data_source_block           ks926
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4067404