Heavier carbene analogues and their derivatives as κ-El, κ(2)-El,N, and κ(2)-N,N' ligands: different reactivity patterns for acyclic and cyclic diamidogermylenes and -stannylenes.
West, Joseph K.; Fondong, Gregory L.; Noll, Bruce C.; Stahl, Lothar; Dalton transactions (Cambridge, England : 2003) 42 (2013) 3835–3842; doi:10.1039/c2dt32443a

data_7021007
_publ_section_title
;
 Heavier carbene analogues and their derivatives as \k-El, \k(2)-El,N, and
 \k(2)-N,N' ligands: different reactivity patterns for acyclic and cyclic
 diamidogermylenes and -stannylenes.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3835
_journal_page_last               3842
_journal_paper_doi               10.1039/c2dt32443a
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C60 H144 Cl4 Cu4 Ge6 N12 Si6, 1.55(C7 H8)'
_chemical_formula_sum            'C70.85 H156.4 Cl4 Cu4 Ge6 N12 Si6'
_chemical_formula_weight         2176.88
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2012-12-15
_audit_creation_method
;
Olex2 1.2
(compiled Dec 5 2012 16:17:34, GUI svn.r4385)
;
_cell_angle_alpha                101.8801(17)
_cell_angle_beta                 111.4422(16)
_cell_angle_gamma                108.3098(16)
_cell_formula_units_Z            1
_cell_length_a                   12.6839(14)
_cell_length_b                   15.6668(17)
_cell_length_c                   16.3267(17)
_cell_measurement_reflns_used    8857
_cell_measurement_temperature    173.15
_cell_measurement_theta_max      28.14
_cell_measurement_theta_min      2.40
_cell_volume                     2671.5(5)
_computing_cell_refinement       'Bruker SMART Version 5.632'
_computing_data_collection       'Bruker SMART Version 5.632'
_computing_data_reduction        'Bruker SAINT Version 6.45A'
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution
;
XS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_diffrn_ambient_temperature      173.15
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0196
_diffrn_reflns_av_unetI/netI     0.0290
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            20999
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.64
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.649
_exptl_absorpt_correction_T_max  0.329
_exptl_absorpt_correction_T_min  0.262
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2.10 (Bruker, 2003)'
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.379
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_F_000             1148
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.44
_exptl_crystal_size_min          0.42
_refine_diff_density_max         1.023
_refine_diff_density_min         -0.645
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     535
_refine_ls_number_reflns         10392
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0454
_refine_ls_R_factor_gt           0.0371
_refine_ls_shift/su_max          0.136
_refine_ls_shift/su_mean         0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0720P)^2^+0.9676P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1060
_refine_ls_wR_factor_ref         0.1122
_reflns_number_gt                8682
_reflns_number_total             10392
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt32443a.txt
_cod_data_source_block           1
_cod_original_formula_sum        'C70.85 H156.40 Cl4 Cu4 Ge6 N12 Si6'
_cod_database_code               7021007