3D lanthanide metal-organic frameworks constructed from 2,6-naphthalenedicarboxylate ligand: synthesis, structure, luminescence and dye adsorption
Zhu, Yajing; Wang, Li; Chen, Xiaodong; Wang, Pengcheng; Fan, Yong; Zhang, Ping; Journal of Solid State Chemistry 251 (2017) 248–254; doi:10.1016/j.jssc.2017.04.026

data_1560452
_publ_section_title
;
 3D lanthanide metal-organic frameworks constructed from
 2,6-naphthalenedicarboxylate ligand: synthesis, structure, luminescence
 and dye adsorption
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              248
_journal_page_last               254
_journal_paper_doi               10.1016/j.jssc.2017.04.026
_journal_volume                  251
_journal_year                    2017
_chemical_formula_sum            'C36 H18 Eu2 N0 O16'
_chemical_formula_weight         1010.42
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_cell_angle_alpha                84.83(3)
_cell_angle_beta                 83.61(3)
_cell_angle_gamma                75.82(3)
_cell_formula_units_Z            2
_cell_length_a                   9.6429(19)
_cell_length_b                   13.596(3)
_cell_length_c                   20.270(4)
_cell_measurement_reflns_used    8929
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      3.04
_cell_volume                     2555.1(10)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  CCD
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_unetI/netI     0.1140
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_number            8929
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         3.040
_exptl_absorpt_coefficient_mu    2.485
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.313
_exptl_crystal_description       Block
_exptl_crystal_F_000             976
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.180
_exptl_transmission_factor_max   0.864
_exptl_transmission_factor_min   0.864
_refine_diff_density_max         2.299
_refine_diff_density_min         -2.772
_refine_diff_density_rms         0.279
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     488
_refine_ls_number_reflns         8929
_refine_ls_number_restraints     77
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.1196
_refine_ls_R_factor_gt           0.0849
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0852P)^2^+67.6143P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2157
_refine_ls_wR_factor_ref         0.2379
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6073
_reflns_number_total             8929
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            JSSC-2017-251-248.cif
_cod_data_source_block           1_sq
_cod_original_cell_volume        2555.0(10)
_cod_database_code               1560452
_shelx_estimated_absorpt_t_min   0.611
_shelx_estimated_absorpt_t_max   0.663
_shelx_res_checksum              37912
_shelx_hkl_checksum              39479
_shelx_fab_checksum              17148