#------------------------------------------------------------------------------
#$Date: 2019-02-20 03:50:45 +0200 (Wed, 20 Feb 2019) $
#$Revision: 213720 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/81/7058197.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7058197
loop_
_publ_author_name
'Nemec, Ivan'
'Zoufal\'y, Pavel'
'Jewula, Pawel'
'Antal, Peter'
'Linert, Wolfgang'
'Herchel, Radovan'
_publ_section_title
;
 Ion-pair complexes of Schiff base Fe(III) cations and complex anions.
;
_journal_name_full               'New Journal of Chemistry'
_journal_paper_doi               10.1039/C9NJ00192A
_journal_year                    2019
_chemical_formula_sum            'C22 H24 Ag Fe N6 O4'
_chemical_formula_weight         600.18
_space_group_crystal_system      orthorhombic
_space_group_IT_number           45
_space_group_name_Hall           'I 2 -2c'
_space_group_name_H-M_alt        'I b a 2'
_symmetry_space_group_name_Hall  'I 2 -2c'
_symmetry_space_group_name_H-M   'I b a 2'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-01-11 deposited with the CCDC.    2019-02-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.8506(6)
_cell_length_b                   12.7677(6)
_cell_length_c                   14.4195(8)
_cell_measurement_reflns_used    7422
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.112
_cell_measurement_theta_min      3.160
_cell_volume                     2365.8(2)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type
'Goniometer KM4/Xcalibur detector: Sapphire2 (large Be window)'
_diffrn_measurement_method
'Rotation method data acquisition using omega and phi scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0176
_diffrn_reflns_av_unetI/netI     0.0167
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6901
_diffrn_reflns_point_group_measured_fraction_full 0.809
_diffrn_reflns_point_group_measured_fraction_max 0.810
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.988
_diffrn_reflns_theta_min         3.170
_exptl_absorpt_coefficient_mu    1.482
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.822
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
'CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.5 (release 18-04-2008 CrysAlis171 .NET)
(compiled Apr 18 2008,18:17:43)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm'
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.685
_exptl_crystal_description       block
_exptl_crystal_F_000             1212
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.233
_refine_diff_density_min         -0.263
_refine_diff_density_rms         0.046
_refine_ls_abs_structure_details
;
 Flack x determined using 539 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.035(16)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     155
_refine_ls_number_reflns         1886
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.091
_refine_ls_R_factor_all          0.0210
_refine_ls_R_factor_gt           0.0175
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0253P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0429
_refine_ls_wR_factor_ref         0.0436
_reflns_Friedel_coverage         0.554
_reflns_Friedel_fraction_full    0.600
_reflns_Friedel_fraction_max     0.604
_reflns_number_gt                1698
_reflns_number_total             1886
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9nj00192a2.cif
_cod_data_source_block           3d
_cod_database_code               7058197
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_res_file
;

    shelx.res created by SHELXL-2014/7

TITL in69c_100km in I b a 2
CELL  0.71073  12.8506  12.7677  14.4195   90.000   90.000   90.000
ZERR     4.00   0.0006   0.0006   0.0008    0.000    0.000    0.000
LATT  -2
SYMM  - X, - Y,   Z
SYMM  - X,   Y, 1/2 + Z
SYMM    X, - Y, 1/2 + Z
SFAC  C        2.31000 20.84392  1.02000 10.20751   1.58860   0.56870 =
         0.86500  51.65125   0.21560   0.003   0.002    11.500   0.770  12.011
SFAC  H        0.49300 10.51091  0.32291 26.12573   0.14019   3.14236 =
         0.04081  57.79977   0.00304   0.000   0.000     0.620   0.320   1.008
SFAC  AG      19.28082  0.64460 16.68852  7.47261   4.80451  24.66054 =
         1.04630  99.81570   5.17900  -0.897   1.102  4760.000   1.440 107.868
SFAC  FE      11.76951  4.76111  7.35731  0.30720   3.52220  15.35351 =
         2.30450  76.88058   1.03690   0.346   0.844  3490.000   1.260  55.845
SFAC  N       12.21261  0.00570  3.13220  9.89331   2.01250  28.99754 =
         1.16630   0.58260 -11.52901   0.006   0.003    19.600   0.700  14.007
SFAC  O        3.04850 13.27711  2.28680  5.70111   1.54630   0.32390 =
         0.86700  32.90894   0.25080   0.011   0.006    32.500   0.660  15.999
UNIT  88   96   4    4    24   16
MERG   2
OMIT    -2.00  52.00
ACTA
BOND   $H
L.S.  10
WGHT    0.025300
FVAR       0.61355
MOLE    1
C1    1    1.093801    0.681314    0.416696    11.00000    0.02271    0.01180 =
         0.01096   -0.00202    0.00195   -0.00408
C2    1    1.178316    0.717506    0.469393    11.00000    0.02292    0.01597 =
         0.01639    0.00173   -0.00253   -0.00074
AFIX  43
H2    2    1.226687    0.669938    0.492359    11.00000   -1.20000
AFIX   0
C3    1    1.190375    0.823091    0.487494    11.00000    0.02252    0.02082 =
         0.01633   -0.00400   -0.00019   -0.00533
C4    1    1.119571    0.897117    0.452659    11.00000    0.02761    0.01432 =
         0.02297   -0.00532    0.00070   -0.00353
AFIX  43
H4    2    1.128725    0.968236    0.463959    11.00000   -1.20000
AFIX   0
C5    1    1.037324    0.862221    0.402011    11.00000    0.02271    0.01520 =
         0.02419   -0.00130    0.00099    0.00046
AFIX  43
H5    2    0.990375    0.910868    0.378478    11.00000   -1.20000
AFIX   0
C6    1    1.020590    0.755171    0.383866    11.00000    0.02164    0.01437 =
         0.01272    0.00006    0.00183   -0.00198
C7    1    0.929485    0.726489    0.332896    11.00000    0.02206    0.01499 =
         0.01590    0.00029    0.00340    0.00107
AFIX  43
H7    2    0.884493    0.780466    0.316533    11.00000   -1.20000
AFIX   0
C8    1    0.806085    0.623097    0.254342    11.00000    0.01521    0.02198 =
         0.02391   -0.00435   -0.00117   -0.00116
AFIX  23
H8A   2    0.808209    0.667779    0.199970    11.00000   -1.20000
H8B   2    0.747405    0.644196    0.292308    11.00000   -1.20000
AFIX   0
C9    1    0.793869    0.509030    0.225113    11.00000    0.01414    0.01942 =
         0.02195   -0.00623    0.00139   -0.00338
AFIX  23
H9A   2    0.763466    0.468825    0.275351    11.00000   -1.20000
H9B   2    0.748034    0.504334    0.171827    11.00000   -1.20000
AFIX   0
C10   1    0.942361    0.511978    0.115491    11.00000    0.01713    0.02093 =
         0.01237    0.00102   -0.00224   -0.00472
AFIX  23
H10A  2    0.931126    0.587092    0.114298    11.00000   -1.20000
H10B  2    0.909463    0.481506    0.061290    11.00000   -1.20000
AFIX   0
FE1   4    1.000000    0.500000    0.317944    10.50000    0.01685    0.00912 =
         0.00946    0.00000    0.00000   -0.00304
N1    5    0.903569    0.633827    0.307473    11.00000    0.01798    0.01469 =
         0.01404   -0.00107    0.00032   -0.00173
N2    5    0.897658    0.466301    0.201334    11.00000    0.01391    0.01389 =
         0.01435   -0.00133    0.00034   -0.00262
AFIX  13
H1N2  2    0.892115    0.390221    0.193806    11.00000   -1.20000
AFIX   0
O1    6    1.085271    0.580307    0.399995    11.00000    0.02715    0.01105 =
         0.01700    0.00069   -0.00788   -0.00319
O2    6    1.268608    0.861772    0.539668    11.00000    0.03140    0.01725 =
         0.03500   -0.00562   -0.01487   -0.00379
AFIX  83
H1O2  2    1.307735    0.814014    0.554827    11.00000   -1.20000
AFIX   0
MOLE    2
AG1   3    1.000000    1.000000    0.641454    10.50000    0.02410    0.02199 =
         0.02905    0.00000    0.00000   -0.00445
C11   1    0.939019    0.851261    0.639772    11.00000    0.02107    0.02761 =
         0.02366    0.00427    0.00115    0.00115
N3    5    0.903024    0.769755    0.632128    11.00000    0.02974    0.02486 =
         0.03285    0.00579    0.00186   -0.00062
HKLF    4

REM  in69c_100km in I b a 2
REM R1 =  0.0175 for    1698 Fo > 4sig(Fo)  and  0.0210 for all    1886 data
REM    155 parameters refined using      1 restraints

END

WGHT      0.0258      0.0000

REM Highest difference peak  0.233,  deepest hole -0.263,  1-sigma level  0.046
Q1    1   1.1687  0.8668  0.4512  11.00000  0.05    0.23
Q2    1   0.9982  0.8998  0.6366  11.00000  0.05    0.22
Q3    1   1.0000  1.0000  0.7233  10.50000  0.05    0.20
Q4    1   0.9249  0.4966  0.2538  11.00000  0.05    0.20
Q5    1   1.0000  0.5000  0.1187  10.50000  0.05    0.20
Q6    1   1.0000  1.0000  0.3442  10.50000  0.05    0.19
Q7    1   1.0478  0.7201  0.4126  11.00000  0.05    0.18
Q8    1   0.9379  0.5830  0.3114  11.00000  0.05    0.18
Q9    1   0.9994  0.8721  0.4002  11.00000  0.05    0.17
Q10   1   1.0752  0.5519  0.3471  11.00000  0.05    0.16
Q11   1   1.0899  0.6135  0.3928  11.00000  0.05    0.15
Q12   1   0.8533  0.4836  0.2046  11.00000  0.05    0.15
Q13   1   1.0261  0.5544  0.3986  11.00000  0.05    0.15
Q14   1   1.0281  0.8016  0.4132  11.00000  0.05    0.15
Q15   1   0.9455  0.4929  0.1730  11.00000  0.05    0.15
Q16   1   1.0639  0.5633  0.4360  11.00000  0.05    0.15
Q17   1   0.9954  0.7530  0.3650  11.00000  0.05    0.15
Q18   1   1.2833  0.8274  0.5735  11.00000  0.05    0.15
Q19   1   1.1776  0.7710  0.4692  11.00000  0.05    0.15
Q20   1   1.0768  0.9972  0.6861  11.00000  0.05    0.15
;
_shelx_res_checksum              78053
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, z+1/2'
'x, -y, z+1/2'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, z+1'
'x+1/2, -y+1/2, z+1'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
C1 C 1.0938(2) 0.6813(2) 0.4167(2) 0.0152(6) Uani 1 1 d . . .
C2 C 1.1783(2) 0.7175(2) 0.4694(2) 0.0184(6) Uani 1 1 d . . .
H2 H 1.2267 0.6699 0.4924 0.022 Uiso 1 1 calc R U .
C3 C 1.1904(2) 0.8231(2) 0.4875(2) 0.0199(7) Uani 1 1 d . . .
C4 C 1.1196(2) 0.8971(2) 0.4527(2) 0.0216(7) Uani 1 1 d . . .
H4 H 1.1287 0.9682 0.4640 0.026 Uiso 1 1 calc R U .
C5 C 1.0373(2) 0.8622(2) 0.4020(3) 0.0207(6) Uani 1 1 d . . .
H5 H 0.9904 0.9109 0.3785 0.025 Uiso 1 1 calc R U .
C6 C 1.0206(2) 0.7552(2) 0.3839(2) 0.0162(6) Uani 1 1 d . . .
C7 C 0.9295(2) 0.7265(2) 0.3329(2) 0.0176(6) Uani 1 1 d . . .
H7 H 0.8845 0.7805 0.3165 0.021 Uiso 1 1 calc R U .
C8 C 0.8061(2) 0.6231(2) 0.2543(2) 0.0204(7) Uani 1 1 d . . .
H8A H 0.8082 0.6678 0.2000 0.024 Uiso 1 1 calc R U .
H8B H 0.7474 0.6442 0.2923 0.024 Uiso 1 1 calc R U .
C9 C 0.7939(2) 0.5090(2) 0.2251(3) 0.0185(6) Uani 1 1 d . . .
H9A H 0.7635 0.4688 0.2754 0.022 Uiso 1 1 calc R U .
H9B H 0.7480 0.5043 0.1718 0.022 Uiso 1 1 calc R U .
C10 C 0.9424(2) 0.5120(2) 0.1155(2) 0.0168(7) Uani 1 1 d . . .
H10A H 0.9311 0.5871 0.1143 0.020 Uiso 1 1 calc R U .
H10B H 0.9095 0.4815 0.0613 0.020 Uiso 1 1 calc R U .
Fe1 Fe 1.0000 0.5000 0.31794(4) 0.01181(14) Uani 1 2 d S T P
N1 N 0.90357(19) 0.63383(18) 0.30747(18) 0.0156(5) Uani 1 1 d . . .
N2 N 0.89766(17) 0.46630(18) 0.20133(17) 0.0140(5) Uani 1 1 d . . .
H1N2 H 0.8921 0.3902 0.1938 0.017 Uiso 1 1 calc R U .
O1 O 1.08527(15) 0.58031(12) 0.39999(16) 0.0184(4) Uani 1 1 d . . .
O2 O 1.26861(17) 0.86177(17) 0.53967(17) 0.0279(5) Uani 1 1 d . . .
H1O2 H 1.3077 0.8140 0.5548 0.033 Uiso 1 1 calc R U .
Ag1 Ag 1.0000 1.0000 0.64145(2) 0.02505(11) Uani 1 2 d S T P
C11 C 0.9390(2) 0.8513(2) 0.6398(3) 0.0241(7) Uani 1 1 d . . .
N3 N 0.9030(2) 0.7698(2) 0.6321(2) 0.0291(6) Uani 1 1 d . . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
C1 0.0227(14) 0.0118(12) 0.0110(15) -0.0020(11) 0.0019(12) -0.0041(12)
C2 0.0229(14) 0.0160(13) 0.0164(15) 0.0017(13) -0.0025(13) -0.0007(12)
C3 0.0225(16) 0.0208(14) 0.0163(16) -0.0040(13) -0.0002(13) -0.0053(13)
C4 0.0276(16) 0.0143(14) 0.0230(17) -0.0053(12) 0.0007(14) -0.0035(13)
C5 0.0227(13) 0.0152(13) 0.0242(17) -0.0013(14) 0.0010(15) 0.0005(11)
C6 0.0216(16) 0.0144(12) 0.0127(15) 0.0001(13) 0.0018(13) -0.0020(10)
C7 0.0221(16) 0.0150(14) 0.0159(15) 0.0003(12) 0.0034(13) 0.0011(13)
C8 0.0152(15) 0.0220(15) 0.0239(17) -0.0043(13) -0.0012(13) -0.0012(12)
C9 0.0141(12) 0.0194(14) 0.0220(16) -0.0062(12) 0.0014(12) -0.0034(12)
C10 0.0171(15) 0.0209(16) 0.0124(17) 0.0010(11) -0.0022(11) -0.0047(12)
Fe1 0.0169(3) 0.0091(3) 0.0095(3) 0.000 0.000 -0.0030(2)
N1 0.0180(12) 0.0147(12) 0.0140(12) -0.0011(9) 0.0003(10) -0.0017(10)
N2 0.0139(12) 0.0139(10) 0.0143(13) -0.0013(10) 0.0003(10) -0.0026(9)
O1 0.0271(10) 0.0111(8) 0.0170(10) 0.0007(9) -0.0079(9) -0.0032(8)
O2 0.0314(12) 0.0173(11) 0.0350(13) -0.0056(10) -0.0149(12) -0.0038(10)
Ag1 0.02410(17) 0.02199(17) 0.0291(2) 0.000 0.000 -0.00445(15)
C11 0.0211(15) 0.0276(17) 0.0237(16) 0.0043(16) 0.0012(16) 0.0011(13)
N3 0.0297(14) 0.0249(15) 0.0328(16) 0.0058(14) 0.0019(15) -0.0006(12)
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0020 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8970 1.1020 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3460 0.8440 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O1 C1 C2 119.1(2) . .
O1 C1 C6 122.5(2) . .
C2 C1 C6 118.5(2) . .
C3 C2 C1 120.7(3) . .
C3 C2 H2 119.7 . .
C1 C2 H2 119.7 . .
O2 C3 C2 123.1(3) . .
O2 C3 C4 115.8(3) . .
C2 C3 C4 121.1(3) . .
C5 C4 C3 118.4(3) . .
C5 C4 H4 120.8 . .
C3 C4 H4 120.8 . .
C4 C5 C6 122.4(3) . .
C4 C5 H5 118.8 . .
C6 C5 H5 118.8 . .
C5 C6 C1 118.9(3) . .
C5 C6 C7 118.0(3) . .
C1 C6 C7 123.1(2) . .
N1 C7 C6 126.6(3) . .
N1 C7 H7 116.7 . .
C6 C7 H7 116.7 . .
N1 C8 C9 108.7(2) . .
N1 C8 H8A 110.0 . .
C9 C8 H8A 110.0 . .
N1 C8 H8B 110.0 . .
C9 C8 H8B 110.0 . .
H8A C8 H8B 108.3 . .
N2 C9 C8 108.9(2) . .
N2 C9 H9A 109.9 . .
C8 C9 H9A 109.9 . .
N2 C9 H9B 109.9 . .
C8 C9 H9B 109.9 . .
H9A C9 H9B 108.3 . .
N2 C10 C10 107.44(19) . 2_765
N2 C10 H10A 110.2 . .
C10 C10 H10A 110.2 2_765 .
N2 C10 H10B 110.2 . .
C10 C10 H10B 110.2 2_765 .
H10A C10 H10B 108.5 . .
O1 Fe1 O1 103.50(13) 2_765 .
O1 Fe1 N1 86.95(9) 2_765 2_765
O1 Fe1 N1 98.14(9) . 2_765
O1 Fe1 N1 98.14(9) 2_765 .
O1 Fe1 N1 86.95(9) . .
N1 Fe1 N1 171.82(15) 2_765 .
O1 Fe1 N2 91.47(9) 2_765 .
O1 Fe1 N2 158.49(9) . .
N1 Fe1 N2 97.99(9) 2_765 .
N1 Fe1 N2 75.57(9) . .
O1 Fe1 N2 158.49(9) 2_765 2_765
O1 Fe1 N2 91.48(9) . 2_765
N1 Fe1 N2 75.57(9) 2_765 2_765
N1 Fe1 N2 97.99(9) . 2_765
N2 Fe1 N2 78.91(12) . 2_765
C7 N1 C8 117.0(2) . .
C7 N1 Fe1 124.9(2) . .
C8 N1 Fe1 117.35(17) . .
C9 N2 C10 113.4(2) . .
C9 N2 Fe1 107.00(18) . .
C10 N2 Fe1 109.43(15) . .
C9 N2 H1N2 109.0 . .
C10 N2 H1N2 109.0 . .
Fe1 N2 H1N2 109.0 . .
C1 O1 Fe1 133.36(18) . .
C3 O2 H1O2 109.5 . .
C11 Ag1 C11 178.6(2) 2_775 .
N3 C11 Ag1 174.9(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.317(3) .
C1 C2 1.404(4) .
C1 C6 1.414(4) .
C2 C3 1.382(4) .
C2 H2 0.9300 .
C3 O2 1.349(4) .
C3 C4 1.405(4) .
C4 C5 1.360(4) .
C4 H4 0.9300 .
C5 C6 1.408(4) .
C5 H5 0.9300 .
C6 C7 1.430(4) .
C7 N1 1.283(3) .
C7 H7 0.9300 .
C8 N1 1.475(3) .
C8 C9 1.524(3) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 N2 1.481(4) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 N2 1.484(4) .
C10 C10 1.513(6) 2_765
C10 H10A 0.9700 .
C10 H10B 0.9700 .
Fe1 O1 1.911(2) 2_765
Fe1 O1 1.911(2) .
Fe1 N1 2.116(2) 2_765
Fe1 N1 2.116(2) .
Fe1 N2 2.178(2) .
Fe1 N2 2.178(2) 2_765
N2 H1N2 0.9800 .
O2 H1O2 0.8200 .
Ag1 C11 2.054(3) 2_775
Ag1 C11 2.055(3) .
C11 N3 1.144(4) .