1,1,2,2-Tetrakis(diisopropylamino)diphosphane
Grubba, Rafał; Ponikiewski, Łukasz; Chojnacki, Jarosław; Pikies, Jerzy; Acta Crystallographica Section E 65 (2009) o2214–; doi:10.1107/S1600536809032802

data_2223182
_publ_section_title
;
 1,1,2,2-Tetrakis(diisopropylamino)diphosphane
;
_journal_coeditor_code           PV2196
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o2214
_journal_paper_doi               10.1107/S1600536809032802
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          'C24 H56 N4 P2'
_chemical_formula_moiety         'C24 H56 N4 P2'
_chemical_formula_sum            'C24 H56 N4 P2'
_chemical_formula_weight         462.67
_chemical_name_systematic
;
1,1,2,2-Tetrakis(diisopropylamino)diphosphane
;
_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_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 97.22(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.601(2)
_cell_length_b                   14.493(3)
_cell_length_c                   17.280(4)
_cell_measurement_reflns_used    18348
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      51.78
_cell_measurement_theta_min      3.91
_cell_volume                     2882.3(10)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 1997)'
_computing_data_collection       'X-AREA (Stoe & Cie, 1997)'
_computing_data_reduction        'X-RED (Stoe & Cie, 1997)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'WinGX32 (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Stoe IPDS 2'
_diffrn_measurement_method       rotation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0316
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            20113
_diffrn_reflns_theta_full        25.97
_diffrn_reflns_theta_max         25.97
_diffrn_reflns_theta_min         1.84
_exptl_absorpt_coefficient_mu    0.168
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.066
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1032
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.298
_refine_diff_density_min         -0.165
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     518
_refine_ls_number_reflns         5601
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0495
_refine_ls_R_factor_gt           0.0377
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0687P)^2^+0.2046P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1
_refine_ls_wR_factor_ref         0.105
_reflns_number_gt                4529
_reflns_number_total             5601
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            pv2196.cif
_cod_data_source_block           I
_cod_original_cell_volume        2882.2(10)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2223182
_cod_database_fobs_code          2223182