Dimethyl(1,10-phenanthroline)bis(2,3,4,5-tetrafluorobenzoato)tin(IV)
Junshan Sun; Chunlin Ma; Rufen Zhang; Acta Crystallographica Section E 63 (2007) m2691–m2692; doi:10.1107/S1600536807048362

data_2215843
_publ_section_title
;
 Dimethyl(1,10-phenanthroline)bis(2,3,4,5-tetrafluorobenzoato)tin(IV)
;
_journal_coeditor_code           CI2474
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2691
_journal_page_last               m2692
_journal_paper_doi               10.1107/S1600536807048362
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Sn (C H3)2 (C7 H F4 O2)2 (C12 H8 N2)]'
_chemical_formula_moiety         'C28 H16 F8 N2 O4 Sn'
_chemical_formula_sum            'C28 H16 F8 N2 O4 Sn'
_chemical_formula_weight         715.12
_chemical_name_systematic
;
Dimethyl(1,10-phenanthroline)bis(2,3,4,5-tetrafluorobenzoato)tin(IV)
;
_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           SHELXL97
_cell_angle_alpha                90.519(10)
_cell_angle_beta                 90.205(9)
_cell_angle_gamma                110.247(8)
_cell_formula_units_Z            2
_cell_length_a                   7.265(4)
_cell_length_b                   10.174(6)
_cell_length_c                   18.957(11)
_cell_measurement_reflns_used    2191
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.769
_cell_measurement_theta_min      2.379
_cell_volume                     1314.5(13)
_computing_cell_refinement       'SMART (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material  'SHELXTL (Sheldrick, 1997b)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  'Siemens SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_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  0.0540
_diffrn_reflns_av_sigmaI/netI    0.1103
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            6410
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.13
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.069
_exptl_absorpt_correction_T_max  0.9100
_exptl_absorpt_correction_T_min  0.8309
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.807
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             704
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.643
_refine_diff_density_min         -2.307
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         4483
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.007
_refine_ls_R_factor_all          0.1138
_refine_ls_R_factor_gt           0.0808
_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^)+(0.132P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1985
_refine_ls_wR_factor_ref         0.2216
_reflns_number_gt                3007
_reflns_number_total             4483
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ci2474.cif
_cod_data_source_block           I
_cod_database_code               2215843
_cod_database_fobs_code          2215843