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_4328724
_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         'C34 H98 Au N5 S Si10 Sn2'
_chemical_formula_sum            'C34 H98 Au N5 S Si10 Sn2'
_chemical_formula_weight         1324.48
_chemical_name_systematic
;
 ?
;
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_atom_sites_solution_hydrogens   geom
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_cell_angle_alpha                90.00
_cell_angle_beta                 118.386(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.3141(4)
_cell_length_b                   13.6340(2)
_cell_length_c                   22.3095(4)
_cell_measurement_reflns_used    17080
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      74.5439
_cell_measurement_theta_min      3.2388
_cell_volume                     5971.2(2)
_computing_cell_refinement
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_data_collection
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_data_reduction
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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 0.979
_diffrn_measured_fraction_theta_max 0.979
_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  0.0263
_diffrn_reflns_av_sigmaI/netI    0.0306
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            22846
_diffrn_reflns_theta_full        72.50
_diffrn_reflns_theta_max         72.50
_diffrn_reflns_theta_min         3.95
_exptl_absorpt_coefficient_mu    13.582
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.73252
_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_colour            colourless
_exptl_crystal_density_diffrn    1.473
_exptl_crystal_description       fragment
_exptl_crystal_F_000             2688
_exptl_crystal_size_max          0.1508
_exptl_crystal_size_mid          0.1096
_exptl_crystal_size_min          0.0374
_refine_diff_density_max         1.233
_refine_diff_density_min         -1.283
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     508
_refine_ls_number_reflns         11586
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0284
_refine_ls_R_factor_gt           0.0259
_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^)+(0.0404P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0666
_refine_ls_wR_factor_ref         0.0681
_reflns_number_gt                10797
_reflns_number_total             11586
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            ic3001575_si_005.cif
_cod_data_source_block           dp213
_cod_original_cell_volume        5971.16(17)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4328724