N-Phosphorylated Azolylidenes: Novel Ligands for Dinuclear Complexes of Coinage Metals
Marchenko, Anatoliy P.; Koidan, Heorgiy N.; Hurieva, Anastasiya N.; Gutov, Oleksii V.; Kostyuk, Aleksandr N.; Tubaro, Cristina; Lollo, Samira; Lanza, Arianna; Nestola, Fabrizio; Biffis, Andrea; Organometallics 32 (2013) 718–; doi:10.1021/om301051t

data_4079914
_publ_section_title
;
 N-Phosphorylated Azolylidenes: Novel Ligands for Dinuclear Complexes of
 Coinage Metals
;
_journal_issue                   2
_journal_name_full               Organometallics
_journal_page_first              718
_journal_paper_doi               10.1021/om301051t
_journal_volume                  32
_journal_year                    2013
_chemical_formula_moiety         'C36 H56 Au2 N6 P2, 2(C F3 O3 S)'
_chemical_formula_sum            'C38 H56 Au2 F6 N6 O6 P2 S2'
_chemical_formula_weight         1326.91
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.6798(16)
_cell_length_b                   16.706(2)
_cell_length_c                   20.104(3)
_cell_measurement_reflns_used    6630
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.76
_cell_measurement_theta_min      2.78
_cell_volume                     4930.3(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.893
_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  0.1146
_diffrn_reflns_av_sigmaI/netI    0.1659
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            32727
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         27.76
_diffrn_reflns_theta_min         2.78
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.164
_exptl_absorpt_correction_T_max  0.3756
_exptl_absorpt_correction_T_min  0.2378
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'X-Red, X-Shape (Stoe & Cie, 2001)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.788
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2592
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.803
_refine_diff_density_min         -0.753
_refine_diff_density_rms         0.198
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     287
_refine_ls_number_reflns         5190
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.998
_refine_ls_R_factor_all          0.1736
_refine_ls_R_factor_gt           0.0445
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0435P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0729
_refine_ls_wR_factor_ref         0.1308
_reflns_number_gt                2535
_reflns_number_total             5190
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om301051t_si_002.cif
_cod_data_source_block           2-Au
_cod_original_sg_symbol_H-M      Pbca
_cod_database_code               4079914