Photophysical Studies of Europium Coordination Polymers Based on a Tetracarboxylate Ligand
Yan-Li Gai; Fei-Long Jiang; Lian Chen; Yang Bu; Kong-Zhao Su; Shaeel A. Al-Thabaiti; Mao-Chun Hong; Inorganic Chemistry 52 (2013) 7658–7665; doi:10.1021/ic400777c

data_4335370
_publ_section_title
;
 Photophysical Studies of Europium Coordination Polymers Based on a
 Tetracarboxylate Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7658
_journal_page_last               7665
_journal_paper_doi               10.1021/ic400777c
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C45.5 H25.5 Eu2 N0.5 O17.5'
_chemical_formula_weight         1163.08
_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
_cell_angle_alpha                74.149(14)
_cell_angle_beta                 74.035(14)
_cell_angle_gamma                72.054(14)
_cell_formula_units_Z            2
_cell_length_a                   10.984(4)
_cell_length_b                   16.101(6)
_cell_length_c                   19.692(8)
_cell_measurement_reflns_used    3215
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4565
_cell_measurement_theta_min      2.0652
_cell_volume                     3117(2)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 13.6612
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  Mercury2_(2x2_bin_mode)
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0530
_diffrn_reflns_av_sigmaI/netI    0.1342
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            24538
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    2.048
_exptl_absorpt_correction_T_max  0.7487
_exptl_absorpt_correction_T_min  0.6848
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.239
_exptl_crystal_description       prism
_exptl_crystal_F_000             1136
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_platon_squeeze_details
;
;
_refine_diff_density_max         1.586
_refine_diff_density_min         -1.590
_refine_diff_density_rms         0.199
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.979
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     615
_refine_ls_number_reflns         14175
_refine_ls_number_restraints     58
_refine_ls_restrained_S_all      0.980
_refine_ls_R_factor_all          0.0758
_refine_ls_R_factor_gt           0.0518
_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^)+(0.0607P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1490
_refine_ls_wR_factor_ref         0.1599
_reflns_number_gt                9463
_reflns_number_total             14175
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic400777c_si_002_2.cif
_cod_data_source_block           complex_2
_cod_original_formula_sum        'C45.50 H25.50 Eu2 N0.50 O17.50'
_cod_database_code               4335370