Halide-triggered assembly and selective bisulfate recognition in a quadruply interlocked coordination cage.
Virtue, Jemma I.; Tsoukatos, Steven; Johnston, Martin R.; Bloch, Witold M.; Chemical science 15 (2024) 19119–19125; doi:10.1039/d4sc04913f

data_1572941
_publ_section_title
;
 Halide-triggered assembly and selective bisulfate recognition in a
 quadruply interlocked coordination cage.
;
_journal_issue                   45
_journal_name_full               'Chemical science'
_journal_page_first              19119
_journal_page_last               19125
_journal_paper_doi               10.1039/d4sc04913f
_journal_volume                  15
_journal_year                    2024
_chemical_formula_moiety
'(C84 H56 N24 Pd2)4, (B F4)14, (Cl)2, (C H Cl3)23, (C2 H3 N)10'
_chemical_formula_sum            'C379 H277 B14 Cl71 F56 N106 Pd8'
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_space_group_IT_number           60
_space_group_name_Hall           '-P 2n 2ab'
_space_group_name_H-M_alt        'P b c n'
_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2024-10-22 deposited with the CCDC.	2024-10-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_diffrn_measurement_device_type  'ADSC Quantum 315r'
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_diffrn_reflns_theta_max         25.093
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_diffrn_source                   'MX2 Beamline Australian Synchrotron'
_exptl_absorpt_coefficient_mu    0.790
_exptl_absorpt_correction_type   none
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.4093
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_reflns_number_gt                14077
_reflns_number_total             20739
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4sc04913f2.cif
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_cod_depositor_comments
'Adding full bibliography for 1572937--1572941.cif.'
_cod_database_code               1572941
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