A europium(iii) based metal‒organic framework: bifunctional properties related to sensing and electronic conductivity
Hao, Zhaomin; Yang, Guocheng; Song, Xuezhi; Zhu, Min; Meng, Xing; Zhao, Shuna; Song, Shuyan; Zhang, Hongjie; J. Mater. Chem. A 2 (2014) 237–; doi:10.1039/C3TA13179C

data_7239550
_publ_section_title
;
 A europium(iii) based metal--organic framework: bifunctional properties
 related to sensing and electronic conductivity
;
_journal_issue                   1
_journal_name_full               'J. Mater. Chem. A'
_journal_page_first              237
_journal_paper_doi               10.1039/C3TA13179C
_journal_volume                  2
_journal_year                    2014
_chemical_formula_sum            'C66 H34 Eu4 N2 O34'
_chemical_formula_weight         2006.83
_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_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                104.315(5)
_cell_angle_beta                 98.301(5)
_cell_angle_gamma                94.349(5)
_cell_formula_units_Z            2
_cell_length_a                   12.949(5)
_cell_length_b                   13.869(5)
_cell_length_c                   27.972(5)
_cell_measurement_temperature    293(2)
_cell_volume                     4784(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0188
_diffrn_reflns_av_sigmaI/netI    0.0377
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            26553
_diffrn_reflns_theta_full        26.07
_diffrn_reflns_theta_max         26.07
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    2.656
_exptl_crystal_density_diffrn    1.393
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1936
_platon_squeeze_details
;
;
_refine_diff_density_max         0.892
_refine_diff_density_min         -0.914
_refine_diff_density_rms         0.096
_refine_ls_extinction_coef       0.00003(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     967
_refine_ls_number_reflns         18576
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0323
_refine_ls_R_factor_gt           0.0275
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0357P)^2^+1.6539P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0723
_refine_ls_wR_factor_ref         0.0744
_reflns_number_gt                16163
_reflns_number_total             18576
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ta13179c.txt
_cod_data_source_block           hao
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7239550