Lithium and Lead(II) Butyrates Binary System. Pure Compounds and an Intermediate Salt: From 2D to 3D Coordination Polymers
Casado, F. J. Martínez; Riesco, M. Ramos; Silva, I. da; Yélamos, M. I. Redondo; Labrador, A.; Cheda, J. A. Rodríguez; Crystal Growth & Design 11 (2011) 759–; doi:10.1021/cg101272n

data_4500217
_publ_section_title
;
 Lithium and Lead(II) Butyrates Binary System. Pure Compounds and an
 Intermediate Salt: From 2D to 3D Coordination Polymers
;
_journal_issue                   3
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              759
_journal_paper_doi               10.1021/cg101272n
_journal_volume                  11
_journal_year                    2011
_chemical_formula_moiety         'C8 H14 O4 Pb'
_chemical_formula_sum            'C8 H14 O4 Pb'
_chemical_formula_weight         381.39
_chemical_name_common            'Lead(II) butyrate'
_chemical_name_systematic        ' Lead(II) butanoate'
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 96.9765(7)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            2
_cell_length_a                   15.56795(16)
_cell_length_b                   7.26249(5)
_cell_length_c                   4.80093(4)
_cell_measurement_temperature    298
_cell_volume                     538.784(8)
_computing_structure_refinement  FULLPROF
_computing_structure_solution    EXPO2009
_diffrn_ambient_temperature      298
_diffrn_detector                 'scintillation counter'
_diffrn_detector_type            Cyberstar
_diffrn_measurement_method       '2\q scan'
_diffrn_radiation_monochromator  Si(111)
_diffrn_radiation_wavelength     0.82660
_diffrn_source                   Synchrotron
_exptl_absorpt_coefficient_mu    8.3
_exptl_absorpt_correction_type   cylinder
_exptl_crystal_density_diffrn    2.351
_pd_block_diffractogram_id       PbC4_profile
_pd_instr_location
' SpLine - BM25, Spanish Beamline at the ESRF (Grenoble, France)'
_pd_meas_2theta_range_inc        0.014999
_pd_meas_2theta_range_max        49.98615
_pd_meas_2theta_range_min        0.99941
_pd_meas_number_of_points        3267
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.014999
_pd_proc_2theta_range_max        49.9595
_pd_proc_2theta_range_min        0.9728
_pd_proc_ls_background_function  'Interpolation of points'
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        2.4592
_pd_proc_ls_prof_wR_expected     1.7698
_pd_proc_ls_prof_wR_factor       3.2918
_pd_proc_wavelength              0.826600
_pd_spec_mounting                'borosilicate capillary'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   1.86
_refine_ls_number_parameters     38
_refine_ls_number_reflns         751
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            4.7202
_cod_data_source_file            cg101272n_si_002.cif
_cod_data_source_block           PbC4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               4500217
_pd_proc_ls_prof_cr_factor       10.9111
_pd_proc_ls_prof_cwr_factor      9.2879
_pd_proc_ls_prof_cwr_expected    4.9935
_pd_proc_ls_prof_chi2            3.4596
_pd_proc_ls_prof_echi2           3.5484