An <i>N</i>-oxide-functionalized nanocage-based copper-tricarboxylate framework for the selective capture of C<sub>2</sub>H<sub>2</sub>.
Jiang, Zhenzhen; Fan, Lihui; Zhou, Ping; Xu, Tingting; Chen, Jingxian; Hu, Simin; Chen, De-Li; He, Yabing; Dalton transactions (Cambridge, England : 2003) 49 (2020) 15672–15681; doi:10.1039/d0dt03067h

data_7706272
_publ_section_title
;
 An <i>N</i>-oxide-functionalized nanocage-based copper-tricarboxylate
 framework for the selective capture of C<sub>2</sub>H<sub>2</sub>.
;
_journal_issue                   44
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15672
_journal_page_last               15681
_journal_paper_doi               10.1039/d0dt03067h
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         (Me2NH2)[CuL].DMF.H2O
_chemical_formula_sum            'C19 H23 Cu N3 O9'
_chemical_formula_weight         500.94
_space_group_crystal_system      trigonal
_space_group_IT_number           155
_space_group_name_Hall           'R 3 2"'
_space_group_name_H-M_alt        'R 3 2 :H'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-07-20 deposited with the CCDC.	2020-10-22 downloaded from the CCDC.
;
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_cell_measurement_temperature    150(2)
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_computing_cell_refinement       'Bruker SMART'
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_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker D8 VENTURE PHOTON II'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0287
_diffrn_reflns_av_unetI/netI     0.0249
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_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.489(11)
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0263
_refine_ls_R_factor_gt           0.0241
_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^)+(0.0500P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                4984
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_cod_data_source_block           ZJNU-14
_cod_original_cell_volume        10267.7(6)
_cod_database_code               7706272
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_shelx_res_checksum              29644
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