Thermal and structural study of the crystal phases and mesophases in the lithium and thallium(i) propanoates and pentanoates binary systems: formation of mixed salts and stabilization of the ionic liquid crystal phase.
Martínez Casado, F J; Ramos Riesco, M.; da Silva, I.; Labrador, A.; Redondo, M. I.; García Pérez, M V; López-Andrés, S; Rodríguez Cheda, J A; The journal of physical chemistry. B 114 (2010) 10075–10085; doi:10.1021/jp1031702

data_1502702
_publ_section_title
;
 Thermal and structural study of the crystal phases and mesophases in the
 lithium and thallium(i) propanoates and pentanoates binary systems:
 formation of mixed salts and stabilization of the ionic liquid crystal
 phase.
;
_journal_issue                   31
_journal_name_full               'The journal of physical chemistry. B'
_journal_page_first              10075
_journal_page_last               10085
_journal_paper_doi               10.1021/jp1031702
_journal_volume                  114
_journal_year                    2010
_chemical_formula_moiety         '(Tl)+, 2(Li)+, 3(C5 O2)-'
_chemical_formula_sum            'C15 Li2 O6 Tl'
_chemical_formula_weight         494.43
_chemical_name_common            'Dilithium and thallium(I) propanoate'
_chemical_name_systematic        ' Dilithium and thallium(I) tripropanoate'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 91.3425(12)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   4.92085(7)
_cell_length_b                   12.03031(19)
_cell_length_c                   33.8289(4)
_cell_measurement_temperature    298
_cell_volume                     2002.10(5)
_computing_structure_refinement  FULLPROF
_computing_structure_solution    FOX
_diffrn_ambient_temperature      298
_diffrn_detector                 'scintillation counter'
_diffrn_radiation_monochromator  'Si 111'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.8266
_diffrn_source                   Synchrotron
_exptl_absorpt_coefficient_mu    3.75
_exptl_absorpt_correction_type   cylinder
_exptl_crystal_density_diffrn    1.6402
_pd_block_diffractogram_id       LiTlC5_1
_pd_instr_location               'ESRF, SpLine Beamline BM25'
_pd_meas_2theta_range_inc        0.014998
_pd_meas_2theta_range_max        49.98338
_pd_meas_2theta_range_min        0.99991
_pd_meas_number_of_points        3267
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.014998
_pd_proc_2theta_range_max        49.9712
_pd_proc_2theta_range_min        0.9877
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        0.9642
_pd_proc_ls_prof_wR_expected     1.3635
_pd_proc_ls_prof_wR_factor       1.3831
_pd_proc_wavelength              0.826600
_pd_spec_mounting                'quartz capillary'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   1.0144
_refine_ls_number_parameters     96
_refine_ls_number_reflns         2675
_refine_ls_number_restraints     2
_refine_ls_R_I_factor            3.5258
_cod_data_source_file            jp1031702_si_003.cif
_cod_data_source_block           LiTlC5
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/C'
_cod_database_code               1502702
_pd_proc_ls_prof_cr_factor       8.7706
_pd_proc_ls_prof_cwr_factor      6.6391
_pd_proc_ls_prof_cwr_expected    6.5448
_pd_proc_ls_prof_chi2            1.0290
_pd_proc_ls_prof_echi2           1.0483