High Proton Conduction at above 100 °C Mediated by Hydrogen Bonding in a Lanthanide Metal-Organic Framework.
Tang, Qun; Liu, Yiwei; Liu, Shuxia; He, Danfeng; Miao, Jun; Wang, Xingquan; Yang, Guocheng; Shi, Zhan; Zheng, Zhiping; Journal of the American Chemical Society 136 (2014) 12444–12449; doi:10.1021/ja5069855

data_4122476
_publ_section_title
;
 High Proton Conduction at above 100 \%C Mediated by Hydrogen Bonding in a
 Lanthanide Metal-Organic Framework.
;
_journal_issue                   35
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12444
_journal_page_last               12449
_journal_paper_doi               10.1021/ja5069855
_journal_volume                  136
_journal_year                    2014
_chemical_formula_moiety         'C5 H4 Eu2 O13, 1.5(O2), H2 O'
_chemical_formula_sum            'C5 H6 Eu2 O17'
_chemical_formula_weight         642.04
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                105.432(2)
_cell_angle_beta                 90.451(2)
_cell_angle_gamma                105.1180(10)
_cell_formula_units_Z            2
_cell_length_a                   6.2924(7)
_cell_length_b                   8.6702(10)
_cell_length_c                   12.9527(15)
_cell_measurement_reflns_used    1486
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.11
_cell_measurement_theta_min      2.53
_cell_volume                     655.33(13)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
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_diffrn_reflns_theta_full        28.11
_diffrn_reflns_theta_max         28.11
_diffrn_reflns_theta_min         2.53
_exptl_absorpt_coefficient_mu    9.587
_exptl_absorpt_correction_T_max  0.288
_exptl_absorpt_correction_T_min  0.137
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.254
_exptl_crystal_density_meas      3.254
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0320P)^2^+10.1233P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0839
_refine_ls_wR_factor_ref         0.0900
_reflns_number_gt                2532
_reflns_number_total             3206
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja5069855_si_002.cif
_cod_data_source_block           p-1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4122476.cif.
;
_cod_original_sg_symbol_Hall     '-p 1'
_cod_original_formula_sum        'C5 H6 Eu2 O17 '
_cod_database_code               4122476