Bis{1-[(benzoyloxy)methyl]-1<i>H</i>-1,2,3-benzotriazole-κ<i>N</i>^3^}(nitrato-κ^2^<i>O</i>,<i>O</i>')silver(I)
Xu, Sen; Shen, Yingzhong; Acta Crystallographica Section E 68 (2012) m369–; doi:10.1107/S1600536812006368

data_2234441
_publ_section_title
;
 Bis{1-[(benzoyloxy)methyl]-1<i>H</i>-1,2,3-benzotriazole-\k<i>N</i>^3^}(nitrato-\k^2^<i>O</i>,<i>O</i>')silver(I)
;
_journal_coeditor_code           VN2026
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m369
_journal_paper_doi               10.1107/S1600536812006368
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Ag (N O3) (C14 H11 N3 O2)2]'
_chemical_formula_moiety         'C28 H22 Ag N7 O7'
_chemical_formula_sum            'C28 H22 Ag N7 O7'
_chemical_formula_weight         676.40
_chemical_name_systematic
;
Bis{1-[(benzoyloxy)methyl]-1<i>H</i>-1,2,3-triazole-
\k<i>N</i>^3^}(nitrato-\k^2^<i>O</i>,<i>O</i>')silver(I)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                70.405(2)
_cell_angle_beta                 73.323(2)
_cell_angle_gamma                74.974(2)
_cell_formula_units_Z            2
_cell_length_a                   9.8815(5)
_cell_length_b                   10.6695(5)
_cell_length_c                   15.0158(7)
_cell_measurement_reflns_used    9998
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.70
_cell_measurement_theta_min      2.72
_cell_volume                     1405.21(12)
_computing_cell_refinement       '<i>SAINT</i> (Bruker, 2007)'
_computing_data_collection       '<i>SMART</i> (Bruker, 2007)'
_computing_data_reduction        '<i>SAINT</i> (Bruker, 2007)'
_computing_molecular_graphics    '<i>DIAMOND</i> (Brandenburg, 1999)'
_computing_publication_material  '<i>SHELXTL</i> (Sheldrick, 2008)'
_computing_structure_refinement  '<i>SHELXL97</i> (Sheldrick, 2008)'
_computing_structure_solution    '<i>SHELXS97</i> (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0309
_diffrn_reflns_av_sigmaI/netI    0.0284
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            19832
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.06
_exptl_absorpt_coefficient_mu    0.777
_exptl_absorpt_correction_T_max  0.8792
_exptl_absorpt_correction_T_min  0.8601
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SABADS</i>; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.599
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             684
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.306
_refine_diff_density_min         -0.456
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.133
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     404
_refine_ls_number_reflns         4947
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.138
_refine_ls_R_factor_all          0.0356
_refine_ls_R_factor_gt           0.0318
_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^)+(0.0116P)^2^+0.9774P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0651
_refine_ls_wR_factor_ref         0.0667
_reflns_number_gt                4563
_reflns_number_total             4947
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            vn2026.cif
_cod_data_source_block           I
_cod_database_code               2234441
_cod_database_fobs_code          2234441