Synthesis and Structure of Dimeric Silver Azooximates. Hydrogen Bonding and Nonbonded Ag...Ag Interaction
Sanjib Ganguly; Surajit Chattopadhyay; Chittaranjan Sinha; Animesh Chakravorty; Inorganic Chemistry 39 (2000) 2954–2956; doi:10.1021/ic000056u

data_4321064
_publ_section_title
;
 Synthesis and Structure of Dimeric Silver Azooximates. Hydrogen Bonding
 and Nonbonded Ag...Ag Interaction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2954
_journal_page_last               2956
_journal_paper_doi               10.1021/ic000056u
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C26 H21 Ag N6 O2'
_chemical_formula_weight         557.36
_chemical_name_systematic
; 
 ? 
;
_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
_audit_creation_method           SHELXL
_cell_angle_alpha                80.35(4)
_cell_angle_beta                 77.61(4)
_cell_angle_gamma                74.79(3)
_cell_formula_units_Z            4
_cell_length_a                   8.761(4)
_cell_length_b                   14.433(4)
_cell_length_c                   20.570(9)
_cell_measurement_reflns_used    30
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      14
_cell_measurement_theta_min      7
_cell_volume                     2434.3(18)
_computing_cell_refinement       'Siemens Shelxtl-Plus,(Sheldrick, 1990)'
_computing_data_collection       'Siemens Shelxtl-Plus,(Sheldrick, 1990)'
_computing_data_reduction        'Siemens Shelxtl-Plus,(Sheldrick, 1990)'
_computing_molecular_graphics    'SHELXTL V-5.03 (Sheldrick, 1994)'
_computing_publication_material  'SHELXTL V-5.03 (Sheldrick, 1994)'
_computing_structure_refinement  'SHELXTL V-5.03 (Sheldrick, 1994)'
_computing_structure_solution    'SHELXTL V-5.03 (Sheldrick, 1994)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Siemens R3m/V'
_diffrn_measurement_method       '/w scan'
_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  0.0211
_diffrn_reflns_av_sigmaI/netI    0.0757
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            9305
_diffrn_reflns_theta_max         25.07
_diffrn_reflns_theta_min         1.02
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 198
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.863
_exptl_absorpt_correction_T_max  0.8320
_exptl_absorpt_correction_T_min  0.9740
_exptl_absorpt_correction_type   'Semi empirical'
_exptl_crystal_colour            Dark-brown
_exptl_crystal_density_diffrn    1.521
_exptl_crystal_description       Parallelopiped
_exptl_crystal_F_000             1128
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.409
_refine_diff_density_min         -0.364
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.021
_refine_ls_goodness_of_fit_obs   1.134
_refine_ls_matrix_type           full
_refine_ls_number_parameters     655
_refine_ls_number_reflns         8671
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.182
_refine_ls_restrained_S_obs      1.134
_refine_ls_R_factor_all          0.1280
_refine_ls_R_factor_obs          0.0512
_refine_ls_shift/esd_max         1.302
_refine_ls_shift/esd_mean        0.111
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0278P)^2^+1.2699P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1179
_refine_ls_wR_factor_obs         0.0788
_reflns_number_observed          4522
_reflns_number_total             8675
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic000056u_2.cif
_cod_data_source_block           '[Ag(PhL)(HPhL)]2'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0278P)^2^+1.2699P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0278P)^2^+1.2699P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2434.3(17)
_cod_database_code               4321064