Diaminogermylene and Diaminostannylene Derivatives of Gold(I): Novel AuM and AuM2 (M = Ge, Sn) Complexes
Javier A. Cabeza; José M. Fernández-Colinas; Pablo García-Álvarez; Diego Polo; Inorganic Chemistry 51 (2012) 3896–3903; doi:10.1021/ic3001575

data_4328721
_publ_section_title
;
 Diaminogermylene and Diaminostannylene Derivatives of Gold(I): Novel AuM
 and AuM2 (M = Ge, Sn) Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3896
_journal_page_last               3903
_journal_paper_doi               10.1021/ic3001575
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         '2(C24 H72 Au Cl Ge2 N4 Si8), C7 H8'
_chemical_formula_sum            'C55 H152 Au2 Cl2 Ge4 N8 Si16'
_chemical_formula_weight         2130.48
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_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                 97.558(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.4748(4)
_cell_length_b                   14.6467(2)
_cell_length_c                   33.0448(6)
_cell_measurement_reflns_used    10669
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      74.5575
_cell_measurement_theta_min      3.7185
_cell_volume                     9823.7(3)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_molecular_graphics    'PLATON (Spek, 2008)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR-97 (Giacovazzo, 1999)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Xcalibur, Onyx, Nova'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54180
_diffrn_reflns_av_R_equivalents  0.0331
_diffrn_reflns_av_sigmaI/netI    0.0453
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            18831
_diffrn_reflns_theta_full        72.49
_diffrn_reflns_theta_max         72.49
_diffrn_reflns_theta_min         3.72
_exptl_absorpt_coefficient_mu    9.487
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.78978
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.441
_exptl_crystal_F_000             4328
_exptl_crystal_size_max          0.0804
_exptl_crystal_size_mid          0.0584
_exptl_crystal_size_min          0.0309
_refine_diff_density_max         0.744
_refine_diff_density_min         -1.309
_refine_diff_density_rms         0.106
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     445
_refine_ls_number_reflns         9565
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0381
_refine_ls_R_factor_gt           0.0307
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0410P)^2^+5.1778P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0806
_refine_ls_wR_factor_ref         0.0878
_reflns_number_gt                8209
_reflns_number_total             9565
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            ic3001575_si_002.cif
_cod_data_source_block           xn11161-dp120c
_cod_database_code               4328721