An N-heterocyclic carbene adduct of diatomic tin, :Sn[double bond, length as m-dash]Sn:
Cameron Jones; Anastas Sidiropoulos; Nicole Holzmann; Gernot Frenking; Andreas Stasch; Chem.Commun. 48 (2012) 9855–; doi:10.1039/c2cc35228a

data_7108395
_publ_section_title
;
 An N-heterocyclic carbene adduct of diatomic tin, :Sn[double bond, length
 as m-dash]Sn:
;
_journal_name_full               Chem.Commun.
_journal_page_first              9855
_journal_paper_doi               10.1039/c2cc35228a
_journal_volume                  48
_journal_year                    2012
_chemical_formula_sum            'C66 H84 Ge2 N4'
_chemical_formula_weight         1078.55
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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_method           SHELXL-97
_cell_angle_alpha                92.4670(10)
_cell_angle_beta                 93.1220(10)
_cell_angle_gamma                116.6340(10)
_cell_formula_units_Z            2
_cell_length_a                   12.2068(2)
_cell_length_b                   13.3207(3)
_cell_length_c                   20.7196(4)
_cell_measurement_reflns_used    5672
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      25.33
_cell_measurement_theta_min      2.71
_cell_volume                     2998.50(11)
_computing_cell_refinement       'Apex2 v2012.2.0 (Bruker AXS, 2012)'
_computing_data_collection       'Apex2 v2012.2.0 (Bruker AXS, 2012)'
_computing_data_reduction        'Apex2 v2012.2.0 (Bruker AXS, 2012)'
_computing_molecular_graphics    'X-Seed (Barbour, 2001)'
_computing_publication_material  'CIFTAB (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Apex X8'
_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  0.0461
_diffrn_reflns_av_sigmaI/netI    0.0519
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            99544
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         2.83
_exptl_absorpt_coefficient_mu    1.044
_exptl_absorpt_correction_T_max  0.834
_exptl_absorpt_correction_T_min  0.742
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sortav (Blessing, 1995)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.195
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1144
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.585
_refine_diff_density_min         -0.530
_refine_diff_density_rms         0.066
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     665
_refine_ls_number_reflns         17459
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0658
_refine_ls_R_factor_gt           0.0381
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0336P)^2^+1.0138P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0772
_refine_ls_wR_factor_ref         0.0859
_reflns_number_gt                12679
_reflns_number_total             17459
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2cc35228a.cif
_cod_data_source_block           compound2(benzene)2
_cod_original_cell_volume        2998.50(10)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7108395