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_4328722
_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         'C28 H80 Au Cl N4 S Si8 Sn2, C7 H8'
_chemical_formula_sum            'C35 H88 Au Cl N4 S Si8 Sn2'
_chemical_formula_weight         1291.67
_chemical_name_systematic
;
 ?
;
_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_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.6670(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.8189(3)
_cell_length_b                   11.8064(2)
_cell_length_c                   24.3764(3)
_cell_measurement_reflns_used    11591
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      74.1228
_cell_measurement_theta_min      2.8550
_cell_volume                     5703.44(15)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.36 (release 02-08-2010 CrysAlis171 .NET)
(compiled Aug  2 2010,13:00:58)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.36 (release 02-08-2010 CrysAlis171 .NET)
(compiled Aug  2 2010,13:00:58)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.36 (release 02-08-2010 CrysAlis171 .NET)
(compiled Aug  2 2010,13:00:58)
;
_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 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Xcalibur, Onyx, Nova'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'Nova (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54180
_diffrn_reflns_av_R_equivalents  0.0737
_diffrn_reflns_av_sigmaI/netI    0.0768
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            27663
_diffrn_reflns_theta_full        74.29
_diffrn_reflns_theta_max         74.29
_diffrn_reflns_theta_min         2.86
_exptl_absorpt_coefficient_mu    14.235
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.27024
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.36 (release 02-08-2010 CrysAlis171 .NET)
(compiled Aug  2 2010,13:00:58)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.504
_exptl_crystal_description       fragment
_exptl_crystal_F_000             2600
_exptl_crystal_size_max          0.1447
_exptl_crystal_size_mid          0.1077
_exptl_crystal_size_min          0.0909
_refine_diff_density_max         2.371
_refine_diff_density_min         -1.716
_refine_diff_density_rms         0.175
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     494
_refine_ls_number_reflns         11302
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0693
_refine_ls_R_factor_gt           0.0500
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0701P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1265
_refine_ls_wR_factor_ref         0.1431
_reflns_number_gt                8644
_reflns_number_total             11302
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            ic3001575_si_003.cif
_cod_data_source_block           dp137
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4328722