Tetrakis(<i>o</i>-benzoylbenzoato-<i>O</i>,<i>O</i>')lead(IV) Dichloromethane Solvate
Prout, K.; Vaughan-Lee, D.; Moloney, M. G.; Prottey, S. C.; Acta Crystallographica Section C 52 (1996) 351–354; doi:10.1107/S0108270195007785

data_2004520
_publ_section_title
;
 Tetrakis(<i>o</i>-benzoylbenzoato-<i>O</i>,<i>O</i>')lead(IV)
 Dichloromethane Solvate
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              351
_journal_page_last               354
_journal_paper_doi               10.1107/S0108270195007785
_journal_volume                  52
_journal_year                    1996
_chemical_formula_structural     'C57 H38 Cl2 O12 Pb'
_chemical_formula_sum            'C57 H38 Cl2 O12 Pb'
_chemical_formula_weight         1193.024
_chemical_name_systematic        ?
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_atom_type_scat_source           'Cromer & Waber (1974)'
_audit_creation_method           CRYSTALS
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   13.818(1)
_cell_length_b                   13.818(1)
_cell_length_c                   27.285(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      14
_cell_measurement_theta_min      10
_cell_volume                     5209.7(8)
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction
;
CRYSTALS (Watkin, Carruthers & Betteridge, 1985)
;
_computing_molecular_graphics
;
CAMERON (Watkin, Carruthers & Betteridge, 1985)
;
_computing_publication_material  CRYSTALS
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    'SHELXS86 (Sheldrick, 1986)'
_diffrn_measurement_device       'Enraf-Nonius CAD4'
_diffrn_measurement_method       \w/2\q
_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  0.0513
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3750
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        12
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.424
_exptl_absorpt_correction_T_max  1.09
_exptl_absorpt_correction_T_min  0.590
_exptl_absorpt_correction_type   'empirical (DIFABS; Walker & Stuart, 1983)'
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.521
_exptl_crystal_description       brick-shaped
_exptl_crystal_F_000             2344.95
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.69
_refine_diff_density_min         -0.48
_refine_ls_goodness_of_fit_obs   1.21
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     238
_refine_ls_number_reflns         729
_refine_ls_restrained_S_obs      1.2109
_refine_ls_R_factor_obs          0.0447
_refine_ls_shift/esd_max         0.13
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
;
Weighting scheme: three-term Chebychev polynomial; coefficients
3.02, -2.03, 2.18 (Carruthers & Watkin, 1979)
;
_refine_ls_wR_factor_obs         0.0464
_reflns_number_observed          729
_reflns_number_total             2294
_reflns_observed_criterion       >2.5\s(F)
_cod_data_source_file            mu1180.cif
_cod_data_source_block           prout
_cod_original_sg_symbol_Hall     'I 4bw -1bw'
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               2004520