The miracle of self-assembly: a journey of the {Ln<sub>6</sub>F<sub>8</sub>} core in the world of lanthanides.
Boltkov, Evgeny D.; Buzoverov, Mikhail E.; Lermontova, Elmira Kh; Belousov, Yury A.; Steshenko, Dmitry A.; Gontcharenko, Victoria E.; Glazunova, Tatyana Yu; Dalton transactions (Cambridge, England : 2003) 54 (2025) 12503–12515; doi:10.1039/d5dt01105a

data_7719222
_publ_section_title
;
 The miracle of self-assembly: a journey of the
 {Ln<sub>6</sub>F<sub>8</sub>} core in the world of lanthanides.
;
_journal_issue                   33
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12503
_journal_page_last               12515
_journal_paper_doi               10.1039/d5dt01105a
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C12.88 H5.56 F23.32 Na O15.44 Tb3'
_chemical_formula_sum            'C12.88 H5.56 F23.32 Na O15.44 Tb3'
_chemical_formula_weight         1350.16
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-10-15 deposited with the CCDC.	2025-07-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 103.1037(19)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.5618(7)
_cell_length_b                   16.9643(13)
_cell_length_c                   15.7292(10)
_cell_measurement_reflns_used    4001
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.65
_cell_measurement_theta_min      2.35
_cell_volume                     3264.6(4)
_computing_cell_refinement       'SAINT (Bruker, 2008)'
_computing_data_collection       '<i>APEX2</i> (Bruker, 2008)'
_computing_data_reduction        'SAINT (Bruker, 2008)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART APEX II'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0853
_diffrn_reflns_av_unetI/netI     0.0906
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            21958
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         1.791
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    6.637
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.747
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prizm
_exptl_crystal_F_000             2489
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.040
_exptl_crystal_size_min          0.040
_exptl_transmission_factor_max   0.7461
_exptl_transmission_factor_min   0.6002
_refine_diff_density_max         1.252
_refine_diff_density_min         -1.065
_refine_diff_density_rms         0.241
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     543
_refine_ls_number_reflns         6402
_refine_ls_number_restraints     467
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0777
_refine_ls_R_factor_gt           0.0542
_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^)+(0.0477P)^2^+3.3336P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1152
_refine_ls_wR_factor_ref         0.1245
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4828
_reflns_number_total             6402
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt01105a2.cif
_cod_data_source_block           tbp
_cod_depositor_comments
'Adding full bibliography for 7719222--7719228.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7719222
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.416
_shelx_estimated_absorpt_t_max   0.777
_shelx_res_checksum              25383
_shelx_hkl_checksum              98873