Lewis Base Stabilized Group 14 Metalylenes
Singh, Amit Pratap; Samuel, Prinson P.; Mondal, Kartik Chandra; Roesky, Herbert W.; Sidhu, Navdeep S.; Dittrich, Birger; Organometallics 32 (2013) 354–; doi:10.1021/om301062d

data_4079928
_publ_section_title
;
 Lewis Base Stabilized Group 14 Metalylenes
;
_journal_issue                   1
_journal_name_full               Organometallics
_journal_page_first              354
_journal_paper_doi               10.1021/om301062d
_journal_volume                  32
_journal_year                    2013
_chemical_compound_source        synthesis
_chemical_formula_moiety         'C20 H31 Cl2 N Sn'
_chemical_formula_sum            'C20 H31 Cl2 N Sn'
_chemical_formula_weight         475.05
_chemical_name_common
'Cyclic alkylaminocarbene coordinated with SnCl2'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'APEX2 v2009.11-0 and SHELXL-97'
_cell_angle_alpha                90.00
_cell_angle_beta                 104.4481(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.6658(3)
_cell_length_b                   17.4247(5)
_cell_length_c                   13.2381(3)
_cell_measurement_reflns_used    9603
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      67.5
_cell_measurement_theta_min      2.50355
_cell_volume                     2159.10(10)
_computing_cell_refinement       'SAINT V7.61A (Bruker AXS, 2008)'
_computing_data_collection       'Apex2 v2009.11-0 (Bruker AXS, 2009)'
_computing_data_reduction        'SAINT V7.61A (Bruker AXS, 2008)'
_computing_publication_material  'enCIFer 1.3, CCDC, 2008'
_computing_structure_refinement  'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.961
_diffrn_orient_matrix_UB_11      -1.1953288e-02
_diffrn_orient_matrix_UB_12      -4.8864156e-02
_diffrn_orient_matrix_UB_13      -4.0881783e-02
_diffrn_orient_matrix_UB_21      1.5657905e-02
_diffrn_orient_matrix_UB_22      -3.0078467e-02
_diffrn_orient_matrix_UB_23      6.6225886e-02
_diffrn_orient_matrix_UB_31      -1.0500462e-01
_diffrn_orient_matrix_UB_32      1.0773006e-03
_diffrn_orient_matrix_UB_33      -5.2731046e-03
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0225
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3741
_diffrn_reflns_theta_full        67.52
_diffrn_reflns_theta_max         67.52
_diffrn_reflns_theta_min         4.28
_exptl_absorpt_coefficient_mu    11.685
_exptl_absorpt_correction_T_max  0.4666
_exptl_absorpt_correction_T_min  0.1139
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
SADABS version 2008/2, multi-scan. (G. M. Sheldrick, 2008)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.461
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             968
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.420
_refine_diff_density_min         -1.085
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.121
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     225
_refine_ls_number_reflns         3741
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.121
_refine_ls_R_factor_all          0.0347
_refine_ls_R_factor_gt           0.0346
_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^)+(0.0512P)^2^+4.3559P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0935
_refine_ls_wR_factor_ref         0.0936
_reflns_number_gt                3728
_reflns_number_total             3741
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om301062d_si_002.cif
_cod_data_source_block           ar02
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4079928