[μ-Bis(trimethylsilyl)amido]bis[μ-<i>N</i>,<i>N</i>-dimethyl-<i>N</i>',<i>N</i>''-bis(trimethylsilyl)guanidinato]-<i>triangulo</i>-tricopper(I)
Guo, Donglong; Qiao, Xiaoli; Tong, Hong-Bo; Zhou, Meisu; Acta Crystallographica Section E 65 (2009) m405–; doi:10.1107/S1600536809008745

data_2221274
_publ_section_title
'[\m-Bis(trimethylsilyl)amido]bis[\m-<i>N</i>,<i>N</i>-dimethyl-<i>N</i>',<i>N</i>''-bis(trimethylsilyl)guanidinato]-<i>triangulo</i>-tricopper(I)'
_journal_coeditor_code           BI2357
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m405
_journal_paper_doi               10.1107/S1600536809008745
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Cu3 (C6 H18 N Si2) (C9 H24 N3 Si2)2]'
_chemical_formula_moiety         'C24 H66 Cu3 N7 Si6'
_chemical_formula_sum            'C24 H66 Cu3 N7 Si6'
_chemical_formula_weight         812.00
_chemical_name_systematic
;
[\m-Bis(trimethylsilyl)amido]bis[\m-<i>N</i>,<i>N</i>-dimethyl-
<i>N</i>',<i>N</i>''-bis(trimethylsilyl)guanidinato]-<i>triangulo</i>-
tricopper(I)
;
_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                 96.943(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.445(3)
_cell_length_b                   18.653(4)
_cell_length_c                   14.046(3)
_cell_measurement_reflns_used    3322
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      27.457
_cell_measurement_theta_min      2.307
_cell_volume                     4277.0(15)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics    'ORTEP3 (Farrugia, 1997)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Siemens SMART CCD'
_diffrn_measurement_method       \w
_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  0.0332
_diffrn_reflns_av_sigmaI/netI    0.0455
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8714
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.66
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.670
_exptl_absorpt_correction_T_max  0.717
_exptl_absorpt_correction_T_min  0.622
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1997)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.261
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1720
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.566
_refine_diff_density_min         -0.459
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.264
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     193
_refine_ls_number_reflns         3773
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.264
_refine_ls_R_factor_all          0.0648
_refine_ls_R_factor_gt           0.0563
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0417P)^2^+4.1466P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1149
_refine_ls_wR_factor_ref         0.1181
_reflns_number_gt                3394
_reflns_number_total             3773
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bi2357.cif
_cod_data_source_block           I
_cod_original_cell_volume        4277.1(15)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2221274
_cod_database_fobs_code          2221274