Coordination geometry of lead carboxylates - spectroscopic and crystallographic evidence.
Catalano, Jaclyn; Murphy, Anna; Yao, Yao; Yap, Glenn P. A.; Zumbulyadis, Nicholas; Centeno, Silvia A.; Dybowski, Cecil; Dalton transactions (Cambridge, England : 2003) 44 (2015) 2340–2347; doi:10.1039/c4dt03075c

data_7033458
_publ_section_title
;
 Coordination geometry of lead carboxylates - spectroscopic and
 crystallographic evidence.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2340
_journal_page_last               2347
_journal_paper_doi               10.1039/c4dt03075c
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C18 H34 O4 Pb'
_chemical_formula_weight         521.64
_chemical_name_systematic
; 
 ? 
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yc'
_space_group_name_H-M_alt        'P 1 2/c 1'
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2014-09-08 deposited with the CCDC.
2014-12-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.368(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_c                   7.1628(7)
_cell_measurement_reflns_used    3708
_cell_measurement_temperature    200(2)
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_cell_measurement_theta_min      2.23
_cell_volume                     1949.5(3)
_computing_cell_refinement       'Bruker SAINT'
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_computing_publication_material  'Bruker SHELXTL'
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_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker AXS APEX diffractometer'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0903
_diffrn_reflns_av_unetI/netI     0.0705
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_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            25918
_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.444
_diffrn_reflns_theta_min         1.113
_exptl_absorpt_coefficient_mu    8.670
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.4056
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'APEX2 (Bruker, 2007)'
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_exptl_crystal_description       plate
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_restrained_S_all      1.276
_refine_ls_R_factor_all          0.0939
_refine_ls_R_factor_gt           0.0839
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+69.3239P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1648
_refine_ls_wR_factor_ref         0.1681
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3837
_reflns_number_total             4459
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c4dt03075c2.cif
_cod_data_source_block           cdyb001
_cod_depositor_comments          'Adding full bibliography for 7033458.cif.'
_cod_database_code               7033458
_shelx_estimated_absorpt_t_min   0.220
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_shelx_res_checksum              23283
_shelx_hkl_checksum              52670