1,1'-(Diphosphene-1,2-diyl)bis(2,2,6,6-tetramethylpiperidine)
Höhne, Martha; Spannenberg, Anke; Müller, Bernd H.; Rosenthal, Uwe; IUCrData 2 (2017) x170903–; doi:10.1107/S2414314617009038

data_1546713
_publ_section_title
;
 1,1'-(Diphosphene-1,2-diyl)bis(2,2,6,6-tetramethylpiperidine)
;
_journal_coeditor_code           RZ4017
_journal_issue                   6
_journal_name_full               IUCrData
_journal_page_first              x170903
_journal_paper_doi               10.1107/S2414314617009038
_journal_volume                  2
_journal_year                    2017
_chemical_formula_iupac          'C18 H36 N2 P2'
_chemical_formula_moiety         'C18 H36 N2 P2'
_chemical_formula_sum            'C18 H36 N2 P2'
_chemical_formula_weight         342.43
_chemical_name_systematic
;
1,1'-(Diphosphene-1,2-diyl)bis(2,2,6,6-tetramethylpiperidine)
;
_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   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                112.5896(6)
_cell_angle_beta                 90.7806(7)
_cell_angle_gamma                92.9221(7)
_cell_formula_units_Z            4
_cell_length_a                   11.3277(3)
_cell_length_b                   12.3257(3)
_cell_length_c                   15.5274(4)
_cell_measurement_reflns_used    9914
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.79
_cell_measurement_theta_min      2.46
_cell_volume                     1997.74(9)
_computing_cell_refinement
;
SAINT (Bruker, 2013)
;
_computing_data_collection
;
APEX2 (Bruker, 2014)
;
_computing_data_reduction
;
SAINT (Bruker, 2013)
;
_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      150(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0253
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            37690
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.499
_diffrn_reflns_theta_min         1.793
_exptl_absorpt_coefficient_mu    0.218
_exptl_absorpt_correction_T_max  0.96
_exptl_absorpt_correction_T_min  0.89
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2014)
;
_exptl_crystal_colour            red-orange
_exptl_crystal_density_diffrn    1.139
_exptl_crystal_description       plate
_exptl_crystal_F_000             752
_exptl_crystal_size_max          0.526
_exptl_crystal_size_mid          0.287
_exptl_crystal_size_min          0.163
_refine_diff_density_max         0.352
_refine_diff_density_min         -0.201
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     413
_refine_ls_number_reflns         10119
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0481
_refine_ls_R_factor_gt           0.0350
_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^+0.4629P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0874
_refine_ls_wR_factor_ref         0.0949
_reflns_number_gt                8123
_reflns_number_total             10119
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            rz4017sup1.cif
_cod_data_source_block           I
_cod_database_code               1546713
_cod_database_fobs_code          1546713
_shelx_hkl_checksum              24346
_shelx_res_checksum              45420