Gas sorption of nano-porous supramolecules formed by multi-hydrogen bonded coordination capsules.
Tadokoro, Makoto; Machida, Hironobu; Toyofuku, Ryuji; Murakami, Megumi; Kamebuchi, Hajime; Isoda, Kyosuke; Kobayashi, Fumiya; Takahashi, Kiyonori; Noro, Shin'ichiro; Nakamura, Takayoshi; Chemical communications (Cambridge, England) 57 (2021) 2249–2252; doi:10.1039/d0cc07869g

data_7127915
_publ_section_title
;
 Gas sorption of nano-porous supramolecules formed by multi-hydrogen
 bonded coordination capsules.
;
_journal_issue                   18
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2249
_journal_page_last               2252
_journal_paper_doi               10.1039/d0cc07869g
_journal_volume                  57
_journal_year                    2021
_chemical_formula_moiety         'C114 H102 Cl24 N36 O18 Re6'
_chemical_formula_sum            'C114 H102 Cl24 N36 O18 Re6'
_chemical_formula_weight         4232.31
_space_group_crystal_system      trigonal
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_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2020-12-04 deposited with the CCDC.	2021-02-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                120
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_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_source                   'fine-focus sealed tube'
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_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.053
_exptl_crystal_description       block
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0787P)^2^+1139.9890P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1782
_refine_ls_wR_factor_ref         0.1816
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3528
_reflns_number_total             4038
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0cc07869g2.cif
_cod_data_source_block           1
_cod_depositor_comments          'Adding full bibliography for 7127915.cif.'
_cod_original_cell_volume        20539(6)
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_shelx_shelxl_version_number     2018/1
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_shelx_res_checksum              15274
_platon_squeeze_void_probe_radius 1.20
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