MOFs with hydrazide and 3-amino-1,2,4-oxadiazole-substituted hydroxytetrazole as novel nitrogen-rich ligands: a new class of energetic materials for ammonium perchlorate decomposition catalysis
Yang, Feng; He, Zhiwei; Zhang, Rongzheng; Wang, Quan; CrystEngComm 28 (2026) 1931–1937; doi:10.1039/D5CE01001B

data_7251522
_publ_section_title
;
 MOFs with hydrazide and 3-amino-1,2,4-oxadiazole-substituted
 hydroxytetrazole as novel nitrogen-rich ligands: a new class of energetic
 materials for ammonium perchlorate decomposition catalysis
;
_journal_issue                   12
_journal_name_full               CrystEngComm
_journal_page_first              1931
_journal_page_last               1937
_journal_paper_doi               10.1039/D5CE01001B
_journal_volume                  28
_journal_year                    2026
_chemical_formula_moiety         'C2 H3 Ag N6 O2'
_chemical_formula_sum            'C2 H3 Ag N6 O2'
_chemical_formula_weight         250.97
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-04-18 deposited with the CCDC.	2026-02-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 93.658(2)
_cell_angle_gamma                90
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_cell_length_b                   8.3454(4)
_cell_length_c                   13.9313(7)
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      30.46
_cell_measurement_theta_min      2.85
_cell_volume                     563.74(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
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_computing_publication_material  'Bruker SHELXTL'
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_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 10.42
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_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 QUEST PHOTON 100'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_unetI/netI     0.0241
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
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_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            5531
_diffrn_reflns_point_group_measured_fraction_full 0.996
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.462
_diffrn_reflns_theta_min         2.847
_diffrn_source.source            'Ius 2.0'
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_exptl_absorpt_coefficient_mu    3.525
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.5369
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.957
_exptl_crystal_description       block
_exptl_crystal_F_000             480
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.587
_refine_diff_density_min         -1.189
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     106
_refine_ls_number_reflns         1705
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0319
_refine_ls_R_factor_gt           0.0259
_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^)+(0.0255P)^2^+0.5742P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0570
_refine_ls_wR_factor_ref         0.0593
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1507
_reflns_number_total             1705
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5ce01001b2.cif
_cod_data_source_block           YF_106_a
_cod_depositor_comments
'Adding full bibliography for 7251519--7251522.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7251522
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.677
_shelx_estimated_absorpt_t_max   0.766
_shelx_res_checksum              37834
_shelx_hkl_checksum              32757