Silver(i)-based energetic coordination polymers: synthesis, structure and energy performance
Qu, Xiaoni; Zhang, Sheng; Yang, Qi; Su, Zhiyong; Wei, Qing; Xie, Gang; Chen, Sanping; New J. Chem. 39 (2015) 7849–; doi:10.1039/C5NJ01623A

data_7055021
_publ_section_title
;
 Silver(i)-based energetic coordination polymers: synthesis, structure and
 energy performance
;
_journal_issue                   10
_journal_name_full               'New J. Chem.'
_journal_page_first              7849
_journal_paper_doi               10.1039/C5NJ01623A
_journal_volume                  39
_journal_year                    2015
_chemical_formula_moiety         'C2 H3 Ag N4'
_chemical_formula_sum            'C2 H3 Ag N4'
_chemical_formula_weight         190.95
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-04-03 deposited with the CCDC.
2015-07-23 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 100.493(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   10.0809(19)
_cell_length_b                   11.449(2)
_cell_length_c                   7.5369(15)
_cell_measurement_reflns_used    1256
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.69
_cell_measurement_theta_min      2.72
_cell_volume                     855.3(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0188
_diffrn_reflns_av_sigmaI/netI    0.0233
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            2308
_diffrn_reflns_theta_full        26.69
_diffrn_reflns_theta_max         26.69
_diffrn_reflns_theta_min         2.72
_exptl_absorpt_coefficient_mu    4.549
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.966
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             720
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.807
_refine_diff_density_min         -1.176
_refine_diff_density_rms         0.179
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.913
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     72
_refine_ls_number_reflns         905
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.912
_refine_ls_R_factor_all          0.0359
_refine_ls_R_factor_gt           0.0315
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1065
_refine_ls_wR_factor_ref         0.1121
_reflns_number_gt                778
_reflns_number_total             905
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5nj01623a2.cif
_cod_data_source_block           xb8089_0m
_cod_depositor_comments
'Adding full bibliography for 7055021--7055022.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7055021