Three resorcin[4]arene-based lanthanide-coordination polymers with multifunctional photoluminescence sensing properties
Zhang, Hang; Wang, Jia-Chen; Jiang, Wei; Zhao, Si-Si; RSC Advances 9 (2019) 3647–; doi:10.1039/C8RA09777A

data_7232238
_publ_section_title
;
 Three resorcin[4]arene-based lanthanide-coordination polymers with
 multifunctional photoluminescence sensing properties
;
_journal_issue                   7
_journal_name_full               'RSC Advances'
_journal_page_first              3647
_journal_paper_doi               10.1039/C8RA09777A
_journal_volume                  9
_journal_year                    2019
_chemical_formula_moiety         'C66 H94 N O33 Tb2'
_chemical_formula_sum            'C66 H94 N O33 Tb2'
_chemical_formula_weight         1747.26
_chemical_name_common            Resorcin[4]arene-Tb
_chemical_name_systematic        1
_chemical_properties_physical    Light-sensitive
_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
;
2017-10-22 deposited with the CCDC.
2019-01-28 downloaded from the CCDC.
;
_cell_angle_alpha                97.698(5)
_cell_angle_beta                 92.368(5)
_cell_angle_gamma                98.312(4)
_cell_formula_units_Z            2
_cell_length_a                   11.6240(5)
_cell_length_b                   14.8640(9)
_cell_length_c                   22.1860(16)
_cell_measurement_reflns_used    4746
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.2620
_cell_measurement_theta_min      3.7030
_cell_volume                     3751.6(4)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.820
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       '\w scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0856
_diffrn_reflns_av_sigmaI/netI    0.1810
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            27889
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         29.33
_diffrn_reflns_theta_min         2.85
_exptl_absorpt_coefficient_mu    1.957
_exptl_absorpt_correction_T_max  0.8283
_exptl_absorpt_correction_T_min  0.6956
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis (Oxford Diffraction, 2006) 
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.547
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1782
_exptl_crystal_preparation       Luminescent
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         5.055
_refine_diff_density_min         -1.999
_refine_diff_density_rms         0.267
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.107
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     914
_refine_ls_number_reflns         16870
_refine_ls_number_restraints     231
_refine_ls_restrained_S_all      1.102
_refine_ls_R_factor_all          0.2009
_refine_ls_R_factor_gt           0.1461
_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^)+(0.0252P)^2^+200.6389P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2933
_refine_ls_wR_factor_ref         0.3284
_reflns_number_gt                10588
_reflns_number_total             16870
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            c8ra09777a2.cif
_cod_data_source_block           Compound-1
_cod_database_code               7232238