Amidinatogermylene Complexes of Copper, Silver, and Gold
Álvarez-Rodríguez, Lucía; Cabeza, Javier A.; García-Álvarez, Pablo; Polo, Diego; Organometallics 34 (2015) 5479–; doi:10.1021/acs.organomet.5b00828

data_4088058
_publ_section_title
;
 Amidinatogermylene Complexes of Copper, Silver, and Gold
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              5479
_journal_paper_doi               10.1021/acs.organomet.5b00828
_journal_volume                  34
_journal_year                    2015
_chemical_formula_moiety         'C76 H128 Ag4 Cl4 Ge4 N8, C7 H8'
_chemical_formula_sum            'C83 H136 Ag4 Cl4 Ge4 N8'
_chemical_formula_weight         2109.63
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_cell_angle_alpha                90
_cell_angle_beta                 90.412(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.7485(5)
_cell_length_b                   19.2429(5)
_cell_length_c                   16.0089(4)
_cell_measurement_reflns_used    13062
_cell_measurement_temperature    151(2)
_cell_volume                     4851.3(2)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics    'X-SEED (Barbour, 1999)'
_computing_publication_material  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SIR-97 (Giacovazzo, 1999)'
_diffrn_ambient_temperature      151(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Nova (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_unetI/netI     0.0727
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        67.680
_diffrn_reflns_theta_max         59.999
_diffrn_reflns_theta_min         2.806
_diffrn_source                   'sealed X-ray tube'
_exptl_absorpt_coefficient_mu    9.047
_exptl_absorpt_correction_T_max  0.1459
_exptl_absorpt_correction_T_min  0.0593
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details
;
Parkin S,Moezzi B & Hope H, (1995) J. Appl. Cryst. 28, 53-56
Cubic fit to sin(theta)/lambda - 24 parameters
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.444
_exptl_crystal_description       fragment
_exptl_crystal_F_000             2148
_exptl_crystal_size_max          0.3050
_exptl_crystal_size_mid          0.0721
_exptl_crystal_size_min          0.0695
_refine_diff_density_max         2.683
_refine_diff_density_min         -1.610
_refine_diff_density_rms         0.281
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.00(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.183
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     889
_refine_ls_number_reflns         10615
_refine_ls_number_restraints     26
_refine_ls_restrained_S_all      1.181
_refine_ls_R_factor_all          0.1202
_refine_ls_R_factor_gt           0.1129
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.3000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3664
_refine_ls_wR_factor_ref         0.3753
_reflns_Friedel_coverage         0.934
_reflns_Friedel_fraction_full    0.818
_reflns_Friedel_fraction_max     0.999
_reflns_number_gt                9328
_reflns_number_total             10615
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            om5b00828_si_002.cif
_cod_data_source_block           15030_lu261
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4088058
_shelxl_version_number           2014-3
_shelx_res_checksum              66678
_shelx_hkl_checksum              6717