Benzyltrichloro(1,10-phenanthroline-<i>N</i>,<i>N</i>')tin(IV) Benzene Solvate (1/1)
Hall, V. J.; Tiekink, E. R. T.; Acta Crystallographica Section C 52 (1996) 2141–2143; doi:10.1107/S0108270195009334

data_2005430
_publ_section_title
;
 Benzyltrichloro(1,10-phenanthroline-<i>N</i>,<i>N</i>')tin(IV) Benzene
 Solvate (1/1)
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2141
_journal_page_last               2143
_journal_paper_doi               10.1107/S0108270195009334
_journal_volume                  52
_journal_year                    1996
_chemical_formula_moiety         'C25 H21 Cl3 N2 Sn1'
_chemical_formula_sum            'C25 H21 Cl3 N2 Sn'
_chemical_formula_weight         574.50
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 110.40(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.941(3)
_cell_length_b                   17.658(5)
_cell_length_c                   13.516(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      24.5
_cell_measurement_theta_min      23.0
_cell_volume                     2447.5(11)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;
MSC/AFC Diffractometer Control Software
(Molecular Structure Corporation, 1988)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1992)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  TEXSAN
_computing_structure_solution    'SHELXS86 (Sheldrick, 1985)'
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'Rigaku AFC-6R'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.066
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            6103
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         1.5
_diffrn_standards_decay_%        -0.17
_diffrn_standards_interval_count 400
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.386
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.959
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details   'DIFABS (Walker & Stuart, 1983)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.559
_exptl_crystal_description       block
_exptl_crystal_F_000             1144.00
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.36
_refine_diff_density_min         -0.59
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.556
_refine_ls_goodness_of_fit_obs   1.753
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         3817
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0849
_refine_ls_R_factor_obs          0.040
_refine_ls_shift/esd_max         0.0546
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      'sigma; w = 1/\s^2^(F)'
_refine_ls_wR_factor_all         0.0371
_refine_ls_wR_factor_obs         0.034
_reflns_number_observed          3817
_reflns_number_total             5811
_reflns_observed_criterion       I>=2.0\s(I)
_cod_data_source_file            ta1046.cif
_cod_data_source_block           bzsnphen
_cod_original_cell_volume        2447.0(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C25 H21 Cl3 N2 Sn1'
_cod_database_code               2005430