Evolution of Oxidizing Inorganic Metal Salts: Ultrafast Laser Initiation Materials Based on Energetic Cationic Coordination Polymers.
Wang, Tingwei; Zhang, Qi; Deng, Hu; Shang, Liping; Chen, Dong; Li, Yan; Zhu, Shunguan; Li, Hongzhen; ACS applied materials & interfaces  (2019) –; doi:10.1021/acsami.9b14353

data_4514430
_publ_section_title
;
 Evolution of Oxidizing Inorganic Metal Salts: Ultrafast Laser Initiation
 Materials Based on Energetic Cationic Coordination Polymers.
;
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_paper_doi               10.1021/acsami.9b14353
_journal_year                    2019
_chemical_formula_sum            'C3 H6 Ag Cl N6 O5'
_chemical_formula_weight         349.46
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
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_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.5393(4)
_cell_length_b                   8.0347(5)
_cell_length_c                   13.7715(5)
_cell_measurement_reflns_used    2052
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.857
_cell_measurement_theta_min      3.496
_cell_volume                     915.97(8)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.860
_diffrn_measurement_device_type  CCD
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0371
_diffrn_reflns_av_unetI/netI     0.0565
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.860
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
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_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            4741
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.860
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.519
_diffrn_reflns_theta_min         3.534
_exptl_absorpt_coefficient_mu    2.514
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.534
_exptl_crystal_description       Block
_exptl_crystal_F_000             680
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.080
_exptl_transmission_factor_max   0.864
_exptl_transmission_factor_min   0.864
_refine_diff_density_max         0.688
_refine_diff_density_min         -0.709
_refine_diff_density_rms         0.128
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     145
_refine_ls_number_reflns         2194
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0621
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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^)+(0.0378P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0840
_refine_ls_wR_factor_ref         0.0966
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1657
_reflns_number_total             2194
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            am9b14353_si_001.cif
_cod_data_source_block           2018-12-21-ZQ-20181218-6-1a-m1
_cod_database_code               4514430
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.752
_shelx_estimated_absorpt_t_max   0.824
_shelx_res_checksum              74627
_shelx_hkl_checksum              83603