The binary silver nitrogen anion [Ag(N3)2]-.
Klapötke, Thomas M.; Krumm, Burkhard; Scherr, Matthias; Journal of the American Chemical Society 131 (2009) 72–74; doi:10.1021/ja8077544

data_4101691
_publ_section_title
;
 The binary silver nitrogen anion [Ag(N3)2]-.
;
_journal_issue                   1
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              72
_journal_page_last               74
_journal_paper_doi               10.1021/ja8077544
_journal_volume                  131
_journal_year                    2009
_chemical_formula_moiety         'C24 H20 P, 0.5(Ag2 N12)'
_chemical_formula_sum            'C24 H20 Ag N6 P'
_chemical_formula_weight         531.298
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      13
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_author_name               'Scherr, Matthias'
_audit_block_code                Ph4P_Ag(N3)2_dx213_scherr
_audit_creation_date
;
'Tue May 20 12:13:40 2008'
;
_audit_creation_method           'form98_non/compatible with shelxl97-2'
_audit_update_record
;
'Tue May 20 19:20:14 2008'
;
_cell_angle_alpha                90.0
_cell_angle_beta                 103.219(4)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   16.4246(7)
_cell_length_b                   7.3362(3)
_cell_length_c                   19.1152(8)
_cell_measurement_reflns_used    4198
_cell_measurement_temperature    135(2)
_cell_measurement_theta_max      28.7712
_cell_measurement_theta_min      3.7521
_cell_volume                     2242.24(17)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
(compiled May  8 2007,13:10:02)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
(compiled May  8 2007,13:10:02)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
(compiled May  8 2007,13:10:02)
;
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1996)'
_computing_publication_material
'SHELXL-97 (G. M. Sheldrick. University of G\"ottingen, 97-2 version)'
_computing_structure_refinement
'SHELXL-97 (G. M. Sheldrick. University of G\"ottingen, 97-2 version)'
_computing_structure_solution
;
A. Altomare, M. C. Burla, M. Camalli, G. L. Cascarano, C. Giacovazzo, A.
Guagliardi, A. G. G. Moliterni, G. Polidori, R. Spagna: SIR97: a new tool for
crystal structure determination and refinement; J. Appl. Crystallogr. 1999,
32, 115-119.
;
_diffrn_ambient_temperature      135(2)
_diffrn_detector_area_resol_mean 15.9809
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details
;
  1 omega  -43.00   11.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -      -20.7619  -75.0000  120.0000    0.0000    0.0000 54

  2 omega  -43.00    9.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -      -20.7619  -75.0000    0.0000    0.0000    0.0000 52

  3 omega  -43.00   10.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -      -20.7619  -75.0000  240.0000    0.0000    0.0000 53

  4 omega  -21.00   25.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -      -20.7619   99.0000   83.0000    0.0000    0.0000 46

  5 omega  -25.00   22.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -       20.9181  -99.0000  -83.0000    0.0000    0.0000 47

  6 omega   17.00   45.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -       20.9181   45.0000  240.0000    0.0000    0.0000 28

  7 omega   12.00   40.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -       20.9181   75.0000  120.0000    0.0000    0.0000 28

  8 omega   12.00   45.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -       20.9181   45.0000    0.0000    0.0000    0.0000 33

;
_diffrn_measurement_device_type  'Oxford Xcalibur3 CCD area-detector'
_diffrn_measurement_method       'omega scan'
_diffrn_orient_matrix_UB_11      0.0225196717
_diffrn_orient_matrix_UB_12      -0.0793762473
_diffrn_orient_matrix_UB_13      -0.0055313919
_diffrn_orient_matrix_UB_21      -0.0382063003
_diffrn_orient_matrix_UB_22      -0.0455082871
_diffrn_orient_matrix_UB_23      -0.0146467525
_diffrn_orient_matrix_UB_31      0.0013957841
_diffrn_orient_matrix_UB_32      0.0317109357
_diffrn_orient_matrix_UB_33      -0.0347430816
_diffrn_radiation_collimation    '0.5 mm collimator'
_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  0.0408
_diffrn_reflns_av_sigmaI/netI    0.0914
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12464
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         3.76
_diffrn_source_current           40_mA
_diffrn_source_power             2.00_kW
_diffrn_source_type              'Spellman generator'
_diffrn_source_voltage           50_kV
_exptl_absorpt_coefficient_mu    0.995
_exptl_absorpt_correction_T_max  0.94000
_exptl_absorpt_correction_T_min  0.86158
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
(compiled May  8 2007,13:10:02)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.57391(14)
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1072
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.422
_refine_diff_density_min         -0.324
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.981
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     290
_refine_ls_number_reflns         4383
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.981
_refine_ls_R_factor_all          0.0517
_refine_ls_R_factor_gt           0.0308
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0712P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0814
_refine_ls_wR_factor_ref         0.0885
_reflns_number_gt                2682
_reflns_number_total             4383
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja8077544_si_001.cif
_cod_data_source_block           dx213
_cod_original_sg_symbol_H-M      'P 2/n'
_cod_database_code               4101691
_kl_diffrn_measurement_detector_distance 50