Light-switched selective catalysis with NADH mimic functionalized metal-organic capsules.
Wei, Jianwei; Zhao, Liang; Zhang, Yu; Zhou, Peng; Liu, Guangzhou; Duan, Chunying; Chemical communications (Cambridge, England) 59 (2022) 71–74; doi:10.1039/d2cc04530c

data_7131072
_publ_section_title
;
 Light-switched selective catalysis with NADH mimic functionalized
 metal-organic capsules.
;
_journal_issue                   1
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              71
_journal_page_last               74
_journal_paper_doi               10.1039/d2cc04530c
_journal_volume                  59
_journal_year                    2022
_chemical_absolute_configuration ad
_chemical_formula_sum            'C135 H111 F21 N32 O29 S11 Zn4'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-01-19 deposited with the CCDC.	2022-10-10 downloaded from the CCDC.
;
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_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      170(2)
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_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_theta_max         25.000
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_exptl_absorpt_coefficient_mu    0.717
_exptl_absorpt_correction_type   none
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_exptl_crystal_density_diffrn    1.298
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             3724
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_exptl_crystal_size_min          0.210
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_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.034(13)
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0634
_refine_ls_R_factor_gt           0.0484
_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^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1357
_refine_ls_wR_factor_ref         0.1438
_reflns_Friedel_coverage         0.837
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_reflns_Friedel_fraction_max     0.997
_reflns_number_gt                13483
_reflns_number_total             16456
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7131072--7131073.cif.'
_cod_database_code               7131072
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