Crystal structures of lead(II) cobalt(II) (monophosphate-hydrogenmonoborate- monophosphate), PbCo[BP~2~O~8~(OH)], and lead(II) zinc(II) (monophosphate- hydrogenmonoborate-monophosphate), PbZn[BP~2~O~8~(OH)]
Tanh Jeazet, H. B.; Menezes, P. W.; Hoffmann, S.; Prots, Yu.; Kniep, R.; Zeitschrift für Kristallographie - New Crystal Structures 221 (2006) 431–433; doi:

data_8102960
_publ_section_title
;
Crystal structures of lead(II) cobalt(II) (monophosphate-hydrogenmonoborate-
monophosphate), PbCo[BP~2~O~8~(OH)], and lead(II) zinc(II) (monophosphate-
hydrogenmonoborate-monophosphate), PbZn[BP~2~O~8~(OH)]
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              431
_journal_page_last               433
_journal_volume                  221
_journal_year                    2006
_chemical_formula_sum            'B Co H O9 P2 Pb'
_chemical_formula_weight         483.88
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2006-10-04T18:14:18-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                89.473(8)
_cell_angle_beta                 79.219(4)
_cell_angle_gamma                87.521(7)
_cell_formula_units_Z            2
_cell_length_a                   5.2208(2)
_cell_length_b                   7.8467(7)
_cell_length_c                   8.3422(3)
_cell_measurement_reflns_used    3122
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      33.5782
_cell_measurement_theta_min      3.5945
_cell_volume                     335.40(4)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_molecular_graphics    'DIAMOND VERSION 2.0 F (1998)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 14.6306
_diffrn_measured_fraction_theta_full 0.846
_diffrn_measured_fraction_theta_max 0.846
_diffrn_measurement_details
;
        scan:
        Number of images: 600
                   Slice: 0.0000 - 360.0000
             Image width: 0.6000
                Exp time: 75.0000
           Rotation axis: Phi
                   Omega: 0.0000
                     Chi: 0.0000
                     Phi: 0.0000
                     XTD: 42.0800
                  2theta: -25.0000
        scan:
        Number of images: 95
                   Slice: -38.0000 - 19.0000
             Image width: 0.6000
                Exp time: 75.0000
           Rotation axis: Omega
                   Omega: 0.0000
                     Chi: -90.0000
                     Phi: -5.0000
                     XTD: 42.0800
                  2theta: -25.0000
        scan:
        Number of images: 95
                   Slice: -38.0000 - 19.0000
             Image width: 0.6000
                Exp time: 75.0000
           Rotation axis: Omega
                   Omega: 0.0000
                     Chi: -90.0000
                     Phi: 25.0000
                     XTD: 42.0800
                  2theta: -25.0000
        scan:
        Number of images: 95
                   Slice: -38.0000 - 19.0000
             Image width: 0.6000
                Exp time: 75.0000
           Rotation axis: Omega
                   Omega: 0.0000
                     Chi: -90.0000
                     Phi: 60.0000
                     XTD: 42.0800
                  2theta: -25.0000
;
_diffrn_measurement_device       'Rigaku AFC-7'
_diffrn_measurement_method       phi/omega
_diffrn_radiation_detector       'Mercury CCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0328
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            6406
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        33.58
_diffrn_reflns_theta_max         33.58
_diffrn_reflns_theta_min         2.49
_diffrn_source_current           52
_diffrn_source_power             2.6
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    28.044
_exptl_absorpt_correction_T_max  0.4916
_exptl_absorpt_correction_T_min  0.2621
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    4.791
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             434
_exptl_crystal_size_max          0.025
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.090
_refine_diff_density_max         3.718
_refine_diff_density_min         -3.664
_refine_ls_extinction_coef       0.0051(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.117
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     131
_refine_ls_number_reflns         2233
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.117
_refine_ls_R_factor_gt           0.0338
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0467P)^2^+1.3810P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0827
_reflns_number_gt                2122
_reflns_number_total             2233
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            409900.cff
_cod_data_source_block           HTa_B0063a
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Numerical' changed to 'numerical'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        335.40(3)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'H1 B1 Co1 O9 P2 Pb1'
_cod_database_code               8102960