On the behaviour of biradicaloid [P(mu-NTer)]2 towards Lewis acids and bases
Alexander Hinz; Axel Schulz; Alexander Villinger; Chem.Commun. 52 (2016) 6328–; doi:

data_7119071
_publ_section_title
;
 On the behaviour of biradicaloid [P(mu-NTer)]2 towards Lewis acids and
 bases
;
_journal_name_full               Chem.Commun.
_journal_page_first              6328
_journal_volume                  52
_journal_year                    2016
_chemical_formula_moiety
'0.44(C48 H50 Au2 Cl2 N2 P2), 0.56(C48 H50 Au Cl N2 P2), 0.5(C6 H6)'
_chemical_formula_sum            'C51 H53 Au1.44 Cl1.44 N2 P2'
_chemical_formula_weight         1090.92
_chemical_name_systematic
;
 ?
;
_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-2013
_audit_update_record
;
2016-03-03 deposited with the CCDC.
2016-04-07 downloaded from the CCDC.
;
_cell_angle_alpha                94.113(3)
_cell_angle_beta                 94.288(3)
_cell_angle_gamma                114.879(3)
_cell_formula_units_Z            2
_cell_length_a                   11.2430(7)
_cell_length_b                   12.0524(7)
_cell_length_c                   18.7795(11)
_cell_measurement_reflns_used    6476
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      21.77
_cell_measurement_theta_min      2.28
_cell_volume                     2287.1(2)
_computing_cell_refinement       'Bruker Apex V7.51A'
_computing_data_collection       'Bruker Apex V7.51A'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'ORTEP-3v2.01 (Farrugia, 1997)'
_computing_publication_material  SHELXL-2013
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker Apex Kappa II-CCD-diffractometer'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0649
_diffrn_reflns_av_unetI/netI     0.0672
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            45356
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.500
_diffrn_reflns_theta_min         1.094
_exptl_absorpt_coefficient_mu    4.816
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_correction_T_min  0.6198
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2004)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.584
_exptl_crystal_description       rod
_exptl_crystal_F_000             1083
_exptl_crystal_size_max          0.310
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.040
_refine_diff_density_max         1.135
_refine_diff_density_min         -1.108
_refine_diff_density_rms         0.131
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     530
_refine_ls_number_reflns         10457
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.0765
_refine_ls_R_factor_gt           0.0498
_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^)+10.3427P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0861
_refine_ls_wR_factor_ref         0.0932
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7898
_reflns_number_total             10457
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6cc01935h2.cif
_cod_data_source_block           AH172A
_cod_database_code               7119071
_shelx_estimated_absorpt_t_min   0.317
_shelx_estimated_absorpt_t_max   0.831
_shelxl_version_number           2013-4
_shelx_res_checksum              73500