A photoluminescent indium-organic framework with discrete cages and one-dimensional channels for gas adsorption.
Qian, Jinjie; Li, Qipeng; Liang, Linfeng; Yang, Yan; Cao, Zhen; Yu, Panpan; Huang, Shaoming; Hong, Maochun; Chemical communications (Cambridge, England) 52 (2016) 9032–9035; doi:10.1039/c5cc10359b

data_7118356
_publ_section_title
;
 A photoluminescent indium-organic framework with discrete cages and
 one-dimensional channels for gas adsorption.
;
_journal_issue                   58
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              9032
_journal_page_last               9035
_journal_paper_doi               10.1039/c5cc10359b
_journal_volume                  52
_journal_year                    2016
_chemical_formula_sum            'C4.5 H1.5 Eu0.25 In0.25 O4'
_chemical_formula_weight         186.25
_chemical_name_systematic        InOF-14
_space_group_IT_number           132
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4c 2c'
_symmetry_space_group_name_H-M   'P 42/m c m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-05-10 deposited with the CCDC.
2016-01-06 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   12.6261(5)
_cell_length_b                   12.6261(5)
_cell_length_c                   29.234(3)
_cell_measurement_temperature    173(2)
_cell_volume                     4660.4(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 1.000
_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  0.0671
_diffrn_reflns_av_sigmaI/netI    0.0442
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            7964
_diffrn_reflns_theta_full        64.99
_diffrn_reflns_theta_max         64.99
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    13.860
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.062
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1416
_platon_squeeze_details
;
;
_refine_diff_density_max         1.333
_refine_diff_density_min         -1.229
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     83
_refine_ls_number_reflns         2172
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.0827
_refine_ls_R_factor_gt           0.0704
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1543P)^2^+1.1379P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2129
_refine_ls_wR_factor_ref         0.2242
_reflns_number_gt                1637
_reflns_number_total             2172
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5cc10359b2.cif
_cod_data_source_block           InOF-14-Eu
_cod_depositor_comments          'Adding full bibliography for 7118356.cif.'
_cod_original_sg_symbol_H-M      P42/mcm
_cod_original_formula_sum        'C4.50 H1.50 Eu0.25 In0.25 O4'
_cod_database_code               7118356