CO2 uptake potential of cerium(III) triazolates and tetrazolates
Riedmaier, Jonas; Maichle-Moessmer, Caecilia; Anwander, Reiner; Dalton Transactions  (2026) –; doi:10.1039/D6DT00453A

data_7720768
_publ_section_title
;
 CO<sub>2</sub> uptake potential of cerium(III) triazolates and
 tetrazolates.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6302
_journal_page_last               6311
_journal_paper_doi               10.1039/d6dt00453a
_journal_volume                  55
_journal_year                    2026
_chemical_formula_sum            'C34 H44 Ce N15 O'
_chemical_formula_weight         818.96
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_crystal_system      orthorhombic
_space_group_IT_number           29
_space_group_name_Hall           'P 2c -2ac'
_space_group_name_H-M_alt        'P c a 21'
_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2026-02-12 deposited with the CCDC.	2026-03-27 downloaded from the CCDC.
;
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_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
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_diffrn_measurement_device_type  'Bruker APEX II DUO'
_diffrn_measurement_method       'omega scans'
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_source                   'ImuS-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.967
_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.110
_exptl_crystal_description       block
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_exptl_crystal_size_mid          0.214
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_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.079(8)
_refine_ls_extinction_method     none
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_refine_ls_R_factor_gt           0.0264
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0266P)^2^+1.1873P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0574
_refine_ls_wR_factor_ref         0.0613
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_reflns_number_gt                16144
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d6dt00453a2.cif
_cod_data_source_block           7_mo_JR172_0ma_a_sq
_cod_depositor_comments
'Adding full bibliography for 7720764--7720768.cif.'
_cod_database_code               7720768
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_shelx_estimated_absorpt_t_max   0.857
_shelx_res_checksum              7039
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