Self-assembly and luminescence of trinuclear lanthanide based supramolecular circular helicates.
Chang, Fei-Fan; Feng, Fan-da; Geng, Jiao; Huang, Wei; Chemical communications (Cambridge, England) 57 (2021) 9220–9223; doi:10.1039/d1cc03376j

data_7128789
_publ_section_title
;
 Self-assembly and luminescence of trinuclear lanthanide based
 supramolecular circular helicates.
;
_journal_issue                   73
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              9220
_journal_page_last               9223
_journal_paper_doi               10.1039/d1cc03376j
_journal_volume                  57
_journal_year                    2021
_chemical_formula_moiety         'C153 H138 Cl15 Eu3 N12 O18'
_chemical_formula_sum            'C153 H138 Cl15 Eu3 N12 O18'
_chemical_formula_weight         3420.38
_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   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-05-28 deposited with the CCDC.	2021-08-11 downloaded from the CCDC.
;
_cell_angle_alpha                95.6830(10)
_cell_angle_beta                 101.8700(10)
_cell_angle_gamma                101.2750(10)
_cell_formula_units_Z            2
_cell_length_a                   18.1315(7)
_cell_length_b                   21.8847(8)
_cell_length_c                   25.2702(10)
_cell_measurement_reflns_used    9926
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.041
_cell_measurement_theta_min      2.3505
_cell_volume                     9521.7(6)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (BRUKER 2000)'
_computing_data_reduction        'SAINT (BRUKER 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXTL (BRUKER 2000)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker CCD area detector'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0419
_diffrn_reflns_av_unetI/netI     0.0747
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            69172
_diffrn_reflns_point_group_measured_fraction_full 0.993
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_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.178
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    1.240
_exptl_absorpt_correction_T_max  0.928
_exptl_absorpt_correction_T_min  0.906
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker(2000)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.193
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3456
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.060
_refine_diff_density_max         2.885
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_refine_diff_density_rms         0.131
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1810
_refine_ls_number_reflns         33324
_refine_ls_number_restraints     159
_refine_ls_restrained_S_all      1.116
_refine_ls_R_factor_all          0.0891
_refine_ls_R_factor_gt           0.0626
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0973P)^2^+4.9880P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1698
_refine_ls_wR_factor_ref         0.1811
_reflns_Friedel_coverage         0.000
_reflns_number_gt                23412
_reflns_number_total             33324
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1cc03376j2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7128789--7128791.cif.'
_cod_original_cell_volume        9521.6(6)
_cod_database_code               7128789
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.907
_shelx_estimated_absorpt_t_max   0.929
_shelx_res_checksum              85271
_shelx_hkl_checksum              79537