Amino and triazole-containing metal-organic frameworks for highly efficient CO<sub>2</sub> fixation.
Li, Yang; Tian, Xueqin; Jiang, Weiwei; Wu, Pengyan; Li, Han-Shu; Wang, Man; Lin, Chen; Wang, Jian; Chemical communications (Cambridge, England) 57 (2021) 10803–10806; doi:10.1039/d1cc04371d

data_7128977
_publ_section_title
;
 Amino and triazole-containing metal-organic frameworks for highly
 efficient CO<sub>2</sub> fixation.
;
_journal_issue                   82
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              10803
_journal_page_last               10806
_journal_paper_doi               10.1039/d1cc04371d
_journal_volume                  57
_journal_year                    2021
_chemical_formula_sum            'C62 H52 N10 O15 Zn3'
_chemical_formula_weight         1373.24
_chemical_name_systematic        Zn-TDA
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_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-2018/3
_audit_update_record
;
2021-07-07 deposited with the CCDC.	2021-09-16 downloaded from the CCDC.
;
_cell_angle_alpha                74.258(5)
_cell_angle_beta                 79.162(5)
_cell_angle_gamma                63.495(4)
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_cell_measurement_temperature    296(2)
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_cell_volume                     3482.7(6)
_computing_cell_refinement       'Bruker SMART'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
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_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_max       16
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_diffrn_reflns_theta_max         24.999
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_exptl_absorpt_coefficient_mu    1.092
_exptl_crystal_colour            COLORLESS
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_exptl_crystal_description       BLOCK
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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^)+(0.0743P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1201
_refine_ls_wR_factor_ref         0.1276
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8884
_reflns_number_total             12223
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1cc04371d2.cif
_cod_data_source_block           1_sq
_cod_depositor_comments          'Adding full bibliography for 7128977.cif.'
_cod_original_cell_volume        3482.6(6)
_cod_database_code               7128977
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.780
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_shelx_res_checksum              24498
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