1-Diphenylphosphanyl-2-(diphenylphosphoryl)hydrazine
Höhne, Martha; Aluri, Bhaskar R.; Spannenberg, Anke; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe; IUCrData 3 (2018) x181784–; doi:10.1107/S2414314618017844

data_1550387
_publ_section_title
;
 1-Diphenylphosphanyl-2-(diphenylphosphoryl)hydrazine
;
_journal_coeditor_code           RZ4028
_journal_issue                   12
_journal_name_full               IUCrData
_journal_page_first              x181784
_journal_paper_doi               10.1107/S2414314618017844
_journal_volume                  3
_journal_year                    2018
_chemical_formula_iupac          'C24 H22 N2 O P2'
_chemical_formula_moiety         'C24 H22 N2 O P2'
_chemical_formula_sum            'C24 H22 N2 O P2'
_chemical_formula_weight         416.37
_chemical_name_systematic
;
1-Diphenylphosphanyl-2-(diphenylphosphoryl)hydrazine
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                71.550(4)
_cell_angle_beta                 76.477(4)
_cell_angle_gamma                71.750(4)
_cell_formula_units_Z            2
_cell_length_a                   8.4464(4)
_cell_length_b                   10.4163(5)
_cell_length_c                   13.4880(6)
_cell_measurement_reflns_used    7632
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      29.66
_cell_measurement_theta_min      2.06
_cell_volume                     1057.04(9)
_computing_cell_refinement
;
X-AREA (Stoe & Cie, 2012)
;
_computing_data_collection
;
X-AREA (Stoe & Cie, 2012)
;
_computing_data_reduction
;
X-AREA (Stoe & Cie, 2012)
;
_computing_molecular_graphics
;
XP in SHELXTL (Sheldrick, 2008)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2014 (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  0.0343
_diffrn_reflns_av_unetI/netI     0.0403
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            18510
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.998
_diffrn_reflns_theta_min         2.134
_exptl_absorpt_coefficient_mu    0.224
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.308
_exptl_crystal_description       prism
_exptl_crystal_F_000             436
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.375
_refine_diff_density_min         -0.218
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.891
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     270
_refine_ls_number_reflns         5106
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.891
_refine_ls_R_factor_all          0.0467
_refine_ls_R_factor_gt           0.0312
_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^)+(0.0467P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0718
_refine_ls_wR_factor_ref         0.0746
_reflns_number_gt                3786
_reflns_number_total             5106
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            rz4028sup1.cif
_cod_data_source_block           I
_cod_database_code               1550387
_cod_database_fobs_code          1550387
_shelx_hkl_checksum              57864
_shelx_res_checksum              54200