Tetrakis([5]trovacenyl)tin: Synthesis, Structure, and Intramolecular Communication†
Elschenbroich, Christoph; Lu, Feng; Nowotny, Mathias; Burghaus, Olaf; Pietzonka, Clemens; Harms, Klaus; Organometallics 26 (2007) 4025–; doi:10.1021/om700300j

data_4073389
_publ_section_title
;
 Tetrakis([5]trovacenyl)tin:&#x00A0; Synthesis, Structure, and
 Intramolecular Communication&#x2020;
;
_journal_issue                   16
_journal_name_full               Organometallics
_journal_page_first              4025
_journal_paper_doi               10.1021/om700300j
_journal_volume                  26
_journal_year                    2007
_chemical_formula_moiety         'C48 H44 Sn1 V4'
_chemical_formula_sum            'C51.5 H48 Sn V4'
_chemical_formula_weight         989.35
_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_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                83.322(3)
_cell_angle_beta                 69.348(3)
_cell_angle_gamma                78.093(3)
_cell_formula_units_Z            4
_cell_length_a                   13.7723(6)
_cell_length_b                   16.9996(7)
_cell_length_c                   18.7871(8)
_cell_measurement_reflns_used    56407
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      27.01
_cell_measurement_theta_min      1.6
_cell_volume                     4022.7(3)
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.994
_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  0.0391
_diffrn_reflns_av_sigmaI/netI    0.0324
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            64002
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.03
_diffrn_reflns_theta_min         1.61
_exptl_absorpt_coefficient_mu    1.544
_exptl_absorpt_correction_T_max  0.9209
_exptl_absorpt_correction_T_min  0.6036
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;

 ?

;
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.634
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1996
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.565
_refine_diff_density_min         -0.670
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.975
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1000
_refine_ls_number_reflns         17502
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.975
_refine_ls_R_factor_all          0.0395
_refine_ls_R_factor_gt           0.0268
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0395P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0629
_refine_ls_wR_factor_ref         0.0657
_reflns_number_gt                13772
_reflns_number_total             17502
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om700300j-file003.cif
_cod_data_source_block           3
_cod_original_formula_sum        'C51.50 H48 Sn V4'
_cod_database_code               4073389