Hydrophobicity controls guest uptake in Rh8 metallacages
Yu, Wei-Bin; Qiu, Feng-Yi; Xin, Zhi-Feng; Sun, Po; New Journal of Chemistry 44 (2020) 14075–14081; doi:10.1039/D0NJ02529A

data_7059801
_publ_section_title
;
 Hydrophobicity controls guest uptake in Rh8 metallacages
;
_journal_issue                   33
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              14075
_journal_page_last               14081
_journal_paper_doi               10.1039/D0NJ02529A
_journal_volume                  44
_journal_year                    2020
_chemical_formula_moiety         'C204 H182 Cl8 F24 N8 O40 Rh8 S8'
_chemical_formula_sum            'C204 H182 Cl8 F24 N8 O40 Rh8 S8'
_chemical_formula_weight         5204.93
_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
;
2019-10-30 deposited with the CCDC.	2020-07-08 downloaded from the CCDC.
;
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_cell_angle_gamma                99.661(5)
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_cell_measurement_reflns_used    9948
_cell_measurement_temperature    193(2)
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_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      193(2)
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_diffrn_measured_fraction_theta_max 0.927
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           GaK\a
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_diffrn_reflns_av_R_equivalents  0.0802
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            yellow
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_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^)+(0.0100P)^2^+110.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2590
_refine_ls_wR_factor_ref         0.2886
_reflns_Friedel_coverage         0.000
_reflns_number_gt                18737
_reflns_number_total             29485
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0nj02529a2.cif
_cod_data_source_block           cage
_cod_depositor_comments
;Adding full bibliography for 7059801.cif.

 Adding full bibliography for 7059801.cif.
;
_cod_original_cell_volume        7659.5(15)
_cod_database_code               7059801
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_shelx_res_checksum              18421
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