Same knot, longer rope: altering ligand geometry provides control over nuclearity in self-assembled trefoil knots.
Wang, Qi-Li-Sha; Lin, Yue-Jian; Jin, Guo-Xin; Chemical communications (Cambridge, England) 57 (2021) 9772–9775; doi:10.1039/d1cc03699h

data_7128913
_publ_section_title
;
 Same knot, longer rope: altering ligand geometry provides control over
 nuclearity in self-assembled trefoil knots.
;
_journal_issue                   76
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              9772
_journal_page_last               9775
_journal_paper_doi               10.1039/d1cc03699h
_journal_volume                  57
_journal_year                    2021
_chemical_formula_sum            'C70 H84 F6 N4 O22 Rh2 S2'
_chemical_formula_weight         1717.35
_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   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2021-05-31 deposited with the CCDC.	2021-08-30 downloaded from the CCDC.
;
_cell_angle_alpha                68.846(4)
_cell_angle_beta                 87.425(4)
_cell_angle_gamma                87.035(4)
_cell_formula_units_Z            2
_cell_length_a                   11.7168(9)
_cell_length_b                   16.8296(12)
_cell_length_c                   20.3839(14)
_cell_measurement_reflns_used    9272
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      70.17
_cell_measurement_theta_min      2.82
_cell_volume                     3742.1(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0644
_diffrn_reflns_av_unetI/netI     0.0386
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            77977
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         69.496
_diffrn_reflns_theta_min         2.325
_exptl_absorpt_coefficient_mu    4.877
_exptl_absorpt_correction_T_max  0.753
_exptl_absorpt_correction_T_min  0.469
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_description       block
_exptl_crystal_F_000             1768
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.180
_refine_diff_density_max         1.217
_refine_diff_density_min         -1.196
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     914
_refine_ls_number_reflns         14061
_refine_ls_number_restraints     79
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0517
_refine_ls_R_factor_gt           0.0447
_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^)+(0.0741P)^2^+5.8658P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1269
_refine_ls_wR_factor_ref         0.1320
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12157
_reflns_number_total             14061
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1cc03699h2.cif
_cod_data_source_block           platon_sq_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7128912--7128915.cif.'
_cod_database_code               7128913
_shelx_shelxl_version_number     2016/6
_shelx_estimated_absorpt_t_min   0.375
_shelx_estimated_absorpt_t_max   0.474
_shelx_res_checksum              37204
_shelx_hkl_checksum              68886
_shelx_fab_checksum              79054