Short lead(ii) soaps: from weakly fluorescent crystals to strongly phosphorescent and structurally varied vitreous phases. A thermal, structural and spectroscopic study
Francisco J. Martinez-Casado; Miguel Ramos-Riesco; Jose A. Rodriguez-Cheda; Fabio Cucinotta; Alejandro Fernandez-Martinez; Leoncio Garrido; Emilio Matesanz; Leonardo Marchese; Journal of Materials Chemistry C 2 (2014) 9489–9496; doi:10.1039/C4TC01645A

data_7233909
_publ_section_title
;
 Short lead(ii) soaps: from weakly fluorescent crystals to strongly
 phosphorescent and structurally varied vitreous phases. A thermal,
 structural and spectroscopic study
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              9489
_journal_page_last               9496
_journal_paper_doi               10.1039/C4TC01645A
_journal_volume                  2
_journal_year                    2014
_chemical_formula_moiety         'C12 H22 O4 Pb'
_chemical_formula_sum            'C12 H22 O4 Pb'
_chemical_formula_weight         437.49
_chemical_name_common            'Lead(II) hexanoate'
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.969(2)
_cell_angle_beta                 95.6808(17)
_cell_angle_gamma                88.8359(17)
_cell_formula_units_Z            2
_cell_length_a                   4.83942(9)
_cell_length_b                   7.30791(13)
_cell_length_c                   20.6726(5)
_cell_measurement_temperature    298(2)
_cell_volume                     726.98(3)
_computing_structure_refinement  FULLPROF
_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    5.8
_exptl_absorpt_correction_type   cylinder
_exptl_crystal_density_diffrn    1.999
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.015000
_pd_meas_2theta_range_max        39.98516
_pd_meas_2theta_range_min        1.00016
_pd_meas_number_of_points        2600
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.015000
_pd_proc_2theta_range_max        39.9523
_pd_proc_2theta_range_min        0.9673
_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        2.8474
_pd_proc_ls_prof_wR_expected     1.8569
_pd_proc_ls_prof_wR_factor       3.9352
_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   2.12
_refine_ls_number_parameters     86
_refine_ls_number_reflns         997
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            4.2380
_cod_data_source_file            1000006.cif
_cod_data_source_block           PCOD1000006
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_database_code               7233909
_pd_proc_ls_prof_cr_factor       10.4596
_pd_proc_ls_prof_cwr_factor      9.8989
_pd_proc_ls_prof_cwr_expected    4.6710
_pd_proc_ls_prof_chi2            4.4911
_pd_proc_ls_prof_echi2           4.6584