Versatile Reactivity of Stannene Tip2Sn═CR2with Unsaturated Compounds
Fatah, Abdoul; Ghereg, Dumitru; Escudié, Jean; Saffon, Nathalie; Ladeira, Sonia; Ranaivonjatovo, Henri; Organometallics 31 (2012) 6148–; doi:10.1021/om3004916

data_4079106
_publ_section_title
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 Versatile Reactivity of Stannene Tip2Sn&#x2550;CR2with Unsaturated
 Compounds
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_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              6148
_journal_paper_doi               10.1021/om3004916
_journal_volume                  31
_journal_year                    2012
_chemical_formula_sum            'C66 H93 N O2 Sn'
_chemical_formula_weight         1051.10
_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                90.391(2)
_cell_angle_beta                 107.263(2)
_cell_angle_gamma                107.259(2)
_cell_formula_units_Z            2
_cell_length_a                   13.6754(3)
_cell_length_b                   14.4472(4)
_cell_length_c                   16.8577(4)
_cell_measurement_reflns_used    3508
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      23.352
_cell_measurement_theta_min      2.371
_cell_volume                     3020.87(14)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.1123
_diffrn_reflns_av_sigmaI/netI    0.1388
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            47871
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         5.11
_exptl_absorpt_coefficient_mu    0.464
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.660985
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.156
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1124
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.694
_refine_diff_density_min         -0.522
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.977
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     724
_refine_ls_number_reflns         14842
_refine_ls_number_restraints     165
_refine_ls_restrained_S_all      0.990
_refine_ls_R_factor_all          0.1153
_refine_ls_R_factor_gt           0.0585
_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^)+(0.0393P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0973
_refine_ls_wR_factor_ref         0.1160
_reflns_number_gt                9264
_reflns_number_total             14842
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om3004916_si_001.cif
_cod_data_source_block           6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        3020.87(13)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4079106