The first salt of an isolated pentachloroplumbate(II) trianion
Kalf, Irmgard; Englert, Ulli; Acta Crystallographica Section C 62 (2006) m129–m131; doi:10.1107/S010827010600429X

data_2015223
_publ_section_title
;
 The first salt of an isolated pentachloroplumbate(II) trianion
;
_journal_coeditor_code           AV1278
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m129
_journal_page_last               m131
_journal_paper_doi               10.1107/S010827010600429X
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Co (C6 H14 N2)3] [Pb Cl5], 1.5H2 O'
_chemical_formula_moiety         'C18 H42 Co N6 3+, Cl5 Pb 3-, 1.5H2 O'
_chemical_formula_sum            'C18 H45 Cl5 Co N6 O1.5 Pb'
_chemical_formula_weight         812.97
_chemical_name_systematic
;Tris(cyclohexane-1,2-diamine-\k^2^N,N')cobalt pentachloroplumbate
 sesquihydrate,
[Co(C~6~H~14~N~2~)~3~][PbCl~5~].1.5H~2~O
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 125.8890(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   27.066(2)
_cell_length_b                   12.4657(11)
_cell_length_c                   21.3066(19)
_cell_measurement_reflns_used    6549
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      29.83
_cell_measurement_theta_min      2.49
_cell_volume                     5824.0(9)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full .986
_diffrn_measured_fraction_theta_max .986
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       \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  0.0663
_diffrn_reflns_av_sigmaI/netI    0.0482
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            42820
_diffrn_reflns_theta_full        30.04
_diffrn_reflns_theta_max         30.04
_diffrn_reflns_theta_min         2.36
_exptl_absorpt_coefficient_mu    6.827
_exptl_absorpt_correction_T_max  0.357
_exptl_absorpt_correction_T_min  0.084
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(PLATON; Spek, 2003)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.854
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             3208
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.462
_refine_diff_density_min         -1.188
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     294
_refine_ls_number_reflns         8402
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0335
_refine_ls_R_factor_gt           0.0263
_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^)+(0.007P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0470
_refine_ls_wR_factor_ref         0.0479
_reflns_number_gt                6901
_reflns_number_total             8402
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            av1278.cif
_cod_data_source_block           I
_cod_original_cell_volume        5824.0(8)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C18 H45 Cl5 Co1 N6 O1.5 Pb1'
_cod_database_code               2015223
_cod_database_fobs_code          2015223