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_7719224
_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         '2(C28 H10 F50 Na2 O32 Tm6), C2 H F3 O2'
_chemical_formula_sum            'C58 H21 F103 Na4 O66 Tm12'
_chemical_formula_weight         5849.87
_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-2018/3
_audit_update_record
;
2025-06-16 deposited with the CCDC.	2025-07-21 downloaded from the CCDC.
;
_cell_angle_alpha                90.829(2)
_cell_angle_beta                 99.614(2)
_cell_angle_gamma                98.349(2)
_cell_formula_units_Z            1
_cell_length_a                   12.1977(6)
_cell_length_b                   16.7791(9)
_cell_length_c                   17.3338(9)
_cell_measurement_reflns_used    9840
_cell_measurement_temperature    446(2)
_cell_measurement_theta_max      30.436
_cell_measurement_theta_min      2.383
_cell_volume                     3458.0(3)
_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      446(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker AXS D8 VENTURE PHOTON III C14 IuS 3.0'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0538
_diffrn_reflns_av_unetI/netI     0.0424
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            55928
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         1.952
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    7.848
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.5581
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.809
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2696
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         2.066
_refine_diff_density_min         -1.820
_refine_diff_density_rms         0.168
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1098
_refine_ls_number_reflns         13560
_refine_ls_number_restraints     480
_refine_ls_restrained_S_all      1.178
_refine_ls_R_factor_all          0.0296
_refine_ls_R_factor_gt           0.0274
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+20.3806P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0633
_refine_ls_wR_factor_ref         0.0646
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12792
_reflns_number_total             13560
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt01105a2.cif
_cod_data_source_block           t_a
_cod_depositor_comments
'Adding full bibliography for 7719222--7719228.cif.'
_cod_database_code               7719224
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.202
_shelx_estimated_absorpt_t_max   0.507
_exptl_absorpt_special_details   'SADABS (Bruker, 2008)'
_shelx_res_checksum              25125
_shelx_hkl_checksum              13191