A Eu/Tb mixed lanthanide coordination polymer with rare 2D thick layers: Synthesis, characterization and ratiometric temperature sensing
Zhu, Yuanyuan; Xia, Tifeng; Zhang, Qi; Cui, Yuanjing; Yang, Yu; Qian, Guodong; Journal of Solid State Chemistry 259 (2018) 98–103; doi:10.1016/j.jssc.2018.01.009

data_1561204
_publ_section_title
;
 A Eu/Tb mixed lanthanide coordination polymer with rare 2D thick layers:
 Synthesis, characterization and ratiometric temperature sensing
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              98
_journal_page_last               103
_journal_paper_doi               10.1016/j.jssc.2018.01.009
_journal_volume                  259
_journal_year                    2018
_chemical_formula_sum            'C252 H148 N42 O57 Tb7'
_chemical_formula_weight         5788.56
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-I 2ya'
_space_group_name_H-M_alt        'I 1 2/a 1'
_atom_sites_solution_hydrogens   mixed
_cell_angle_alpha                90
_cell_angle_beta                 103.147(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   25.6264(11)
_cell_length_b                   39.0611(18)
_cell_length_c                   48.407(2)
_cell_measurement_reflns_used    9784
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.6775
_cell_measurement_theta_min      2.503
_cell_volume                     47185(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0789
_diffrn_reflns_av_unetI/netI     0.0693
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       47
_diffrn_reflns_limit_k_min       -45
_diffrn_reflns_limit_l_max       59
_diffrn_reflns_limit_l_min       -59
_diffrn_reflns_number            254608
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.043
_diffrn_reflns_theta_min         0.968
_exptl_absorpt_coefficient_mu    2.161
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.630
_exptl_crystal_description       needle
_exptl_crystal_F_000             22920
_refine_diff_density_max         5.020
_refine_diff_density_min         -3.792
_refine_diff_density_rms         0.191
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3215
_refine_ls_number_reflns         46023
_refine_ls_number_restraints     73
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.1696
_refine_ls_R_factor_gt           0.0823
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
; 
 w=1/[\s^2^(Fo^2^)+(0.0974P)^2^+1384.3171P] 
 where P=(Fo^2^+2Fc^2^)/3 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2033
_refine_ls_wR_factor_ref         0.2659
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                22854
_reflns_number_total             46023
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            JSSC-2019-259-98.cif
_cod_data_source_block           q_sq_sq_sq
_cod_original_sg_symbol_H-M      'I 2/a'
_cod_database_code               1561204