A microporous europium‒organic framework anchored with open ‒COOH groups for selective cation sensing
Qian, Jinjie; Yu, Panpan; Huang, Shaoming; CrystEngComm 18 (2016) 7955–; doi:10.1039/C6CE01801G

data_7226586
_publ_section_title
;
 A microporous europium--organic framework anchored with open --COOH
 groups for selective cation sensing
;
_journal_issue                   41
_journal_name_full               CrystEngComm
_journal_page_first              7955
_journal_paper_doi               10.1039/C6CE01801G
_journal_volume                  18
_journal_year                    2016
_chemical_formula_sum            'C22 H20 Eu N2 O10'
_chemical_formula_weight         624.36
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_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
_audit_update_record
;
2016-07-29 deposited with the CCDC.
2016-09-19 downloaded from the CCDC.
;
_cell_angle_alpha                83.827(4)
_cell_angle_beta                 85.920(4)
_cell_angle_gamma                75.686(4)
_cell_formula_units_Z            2
_cell_length_a                   10.4702(4)
_cell_length_b                   12.0131(5)
_cell_length_c                   13.1765(6)
_cell_measurement_reflns_used    6929
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      29.2580
_cell_measurement_theta_min      3.5920
_cell_volume                     1594.86(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0312
_diffrn_reflns_av_sigmaI/netI    0.0422
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            11070
_diffrn_reflns_theta_full        64.98
_diffrn_reflns_theta_max         64.98
_diffrn_reflns_theta_min         3.38
_exptl_absorpt_coefficient_mu    14.469
_exptl_absorpt_correction_T_max  0.6707
_exptl_absorpt_correction_T_min  0.5953
_exptl_crystal_density_diffrn    1.300
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       bulk
_exptl_crystal_F_000             618
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_platon_squeeze_details
;
;
_refine_diff_density_max         1.304
_refine_diff_density_min         -1.130
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     320
_refine_ls_number_reflns         5420
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0292
_refine_ls_R_factor_gt           0.0278
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0380P)^2^+1.2350P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0725
_refine_ls_wR_factor_ref         0.0731
_reflns_number_gt                5127
_reflns_number_total             5420
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6ce01801g2.cif
_cod_data_source_block           BMM-7-Squeezed
_cod_depositor_comments
'Adding full bibliography for 7226585--7226586.cif.'
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7226586