#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/95/7009545.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_7009545
loop_
_publ_author_name
'He Cheng'
'Duan Chun-ying'
'Fang Chen-jie'
'Meng Qing-jin'
_publ_section_title
;
 Self-assembled dinuclear molecular box [Ag2L2]2+ and triple helicates
 [Co2L3]4+,
 [Ni2L3]4+{L = bis[4-(2-pyridylmethyleneamino)phenyl]
 ether}
;
_journal_issue                   14
_journal_name_full               'J. Chem. Soc., Dalton Trans.'
_journal_page_first              2419
_journal_page_last               2424
_journal_paper_doi               10.1039/b001820l
_journal_year                    2000
_chemical_formula_sum            'C51 H40.5 Ag2 B2 F8 N9.5 O2'
_chemical_formula_weight         1207.79
_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-97
_cell_angle_alpha                105.679(13)
_cell_angle_beta                 92.656(18)
_cell_angle_gamma                98.31(3)
_cell_formula_units_Z            2
_cell_length_a                   13.110(3)
_cell_length_b                   13.611(5)
_cell_length_c                   15.009(2)
_cell_measurement_reflns_used    38
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      9.02
_cell_measurement_theta_min      5.42
_cell_volume                     2541.2(12)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '2θ/ω 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  0.0560
_diffrn_reflns_av_sigmaI/netI    0.0827
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9988
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.80
_diffrn_standards_decay_%        14.98
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.851
_exptl_absorpt_correction_T_max  0.882
_exptl_absorpt_correction_T_min  0.712
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.578
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1210
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.620
_refine_diff_density_min         -0.609
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     666
_refine_ls_number_reflns         8736
_refine_ls_number_restraints     106
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.1340
_refine_ls_R_factor_gt           0.0695
_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/[σ²(Fo²)+(0.0901P)²+5.3765P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1670
_refine_ls_wR_factor_ref         0.2050
_reflns_number_gt                4881
_reflns_number_total             8736
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b001820l.txt
_cod_data_source_block           ag1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2541.2(11)
_cod_original_sg_symbol_H-M      'P-1   '
_cod_original_formula_sum        'C51 H40.50 Ag2 B2 F8 N9.50 O2'
_cod_database_code               7009545
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.06439(4) 0.28061(4) 0.03029(4) 0.07150(18) Uani 1 1 d . . .
N1 N 0.0504(4) 0.1312(4) 0.0864(4) 0.0591(15) Uani 1 1 d . . .
N2 N 0.1921(4) 0.1917(3) -0.0263(3) 0.0474(13) Uani 1 1 d . . .
N3 N 0.8780(4) 0.5389(4) -0.1201(3) 0.0505(13) Uani 1 1 d . . .
N4 N 1.0736(4) 0.6385(4) -0.0383(4) 0.0608(15) Uani 1 1 d . . .
O1 O 0.4696(4) 0.3508(4) -0.2416(3) 0.0805(15) Uani 1 1 d . . .
C1 C -0.0168(6) 0.0967(6) 0.1372(5) 0.075(2) Uani 1 1 d . . .
H1A H -0.0744 0.1292 0.1493 0.090 Uiso 1 1 calc R . .
C2 C -0.0081(7) 0.0160(6) 0.1736(6) 0.087(3) Uani 1 1 d . . .
H2A H -0.0578 -0.0044 0.2101 0.104 Uiso 1 1 calc R . .
C3 C 0.0742(7) -0.0338(6) 0.1556(6) 0.097(3) Uani 1 1 d . . .
H3A H 0.0816 -0.0896 0.1785 0.116 Uiso 1 1 calc R . .
C4 C 0.1482(6) 0.0011(5) 0.1014(5) 0.077(2) Uani 1 1 d . . .
H4A H 0.2068 -0.0297 0.0889 0.093 Uiso 1 1 calc R . .
C5 C 0.1315(5) 0.0815(5) 0.0677(4) 0.0570(18) Uani 1 1 d . . .
C6 C 0.2078(5) 0.1214(5) 0.0099(4) 0.0550(17) Uani 1 1 d . . .
H6A H 0.2685 0.0935 0.0004 0.066 Uiso 1 1 calc R . .
C7 C 0.2671(4) 0.2269(4) -0.0803(4) 0.0454(15) Uani 1 1 d . . .
C8 C 0.2344(4) 0.2482(5) -0.1602(4) 0.0515(16) Uani 1 1 d . . .
H8A H 0.1641 0.2345 -0.1793 0.062 Uiso 1 1 calc R . .
C9 C 0.3018(5) 0.2888(5) -0.2124(4) 0.0573(17) Uani 1 1 d . . .
H9A H 0.2775 0.3018 -0.2667 0.069 Uiso 1 1 calc R . .
C10 C 0.4068(5) 0.3108(5) -0.1842(4) 0.0546(17) Uani 1 1 d . . .
C11 C 0.4420(5) 0.2905(5) -0.1045(4) 0.0633(19) Uani 1 1 d . . .
H11A H 0.5122 0.3056 -0.0849 0.076 Uiso 1 1 calc R . .
C12 C 0.3724(5) 0.2476(5) -0.0534(4) 0.0592(18) Uani 1 1 d . . .
H12A H 0.3966 0.2325 -0.0002 0.071 Uiso 1 1 calc R . .
C13 C 0.5714(5) 0.3964(6) -0.2079(4) 0.069(2) Uani 1 1 d . . .
C14 C 0.5949(6) 0.4976(6) -0.1569(5) 0.079(2) Uani 1 1 d . . .
H14A H 0.5424 0.5365 -0.1401 0.095 Uiso 1 1 calc R . .
C15 C 0.6966(5) 0.5417(6) -0.1305(5) 0.074(2) Uani 1 1 d . . .
H15A H 0.7122 0.6105 -0.0955 0.088 Uiso 1 1 calc R . .
C16 C 0.7747(5) 0.4872(5) -0.1542(4) 0.0508(16) Uani 1 1 d . . .
C17 C 0.7520(5) 0.3854(5) -0.2074(5) 0.070(2) Uani 1 1 d . . .
H17A H 0.8050 0.3474 -0.2249 0.084 Uiso 1 1 calc R . .
C18 C 0.6488(6) 0.3401(6) -0.2345(5) 0.074(2) Uani 1 1 d . . .
H18A H 0.6326 0.2717 -0.2705 0.089 Uiso 1 1 calc R . .
C19 C 0.9547(5) 0.4905(5) -0.1296(4) 0.0584(17) Uani 1 1 d . . .
H19A H 0.9433 0.4205 -0.1612 0.070 Uiso 1 1 calc R . .
C20 C 1.0598(5) 0.5411(5) -0.0926(4) 0.0541(16) Uani 1 1 d . . .
C21 C 1.1411(5) 0.4882(5) -0.1152(5) 0.0660(19) Uani 1 1 d . . .
H21A H 1.1295 0.4202 -0.1524 0.079 Uiso 1 1 calc R . .
C22 C 1.2407(6) 0.5384(7) -0.0814(6) 0.086(2) Uani 1 1 d . . .
H22A H 1.2973 0.5048 -0.0959 0.103 Uiso 1 1 calc R . .
C23 C 1.2539(6) 0.6368(7) -0.0271(6) 0.089(3) Uani 1 1 d . . .
H23A H 1.3202 0.6717 -0.0040 0.107 Uiso 1 1 calc R . .
C24 C 1.1689(6) 0.6865(6) -0.0054(5) 0.079(2) Uani 1 1 d . . .
H24A H 1.1790 0.7542 0.0325 0.095 Uiso 1 1 calc R . .
Ag2 Ag 0.36256(4) 0.26537(4) -0.46814(4) 0.0767(2) Uani 1 1 d . . .
N5 N 0.3288(4) 0.1143(4) -0.4125(4) 0.0737(18) Uani 1 1 d . . .
N6 N 0.2028(4) 0.1771(4) -0.5317(4) 0.0544(14) Uani 1 1 d . . .
N7 N -0.3724(4) 0.5523(4) -0.6096(3) 0.0555(14) Uani 1 1 d . . .
N8 N -0.5273(4) 0.6599(5) -0.5365(4) 0.0665(17) Uani 1 1 d . . .
O2 O -0.0338(4) 0.3635(4) -0.7348(3) 0.0754(14) Uani 1 1 d . . .
C25 C 0.3873(7) 0.0794(6) -0.3559(6) 0.099(3) Uani 1 1 d . . .
H25B H 0.4549 0.1134 -0.3374 0.119 Uiso 1 1 calc R . .
C26 C 0.3526(7) -0.0042(7) -0.3238(6) 0.101(3) Uani 1 1 d . . .
H26B H 0.3958 -0.0273 -0.2858 0.121 Uiso 1 1 calc R . .
C27 C 0.2542(8) -0.0511(7) -0.3493(7) 0.108(3) Uani 1 1 d . . .
H27B H 0.2279 -0.1064 -0.3273 0.130 Uiso 1 1 calc R . .
C28 C 0.1926(7) -0.0183(6) -0.4072(6) 0.089(3) Uani 1 1 d . . .
H28B H 0.1249 -0.0518 -0.4256 0.107 Uiso 1 1 calc R . .
C29 C 0.2311(5) 0.0648(5) -0.4383(5) 0.0638(19) Uani 1 1 d . . .
C30 C 0.1675(5) 0.1038(5) -0.5002(5) 0.0612(19) Uani 1 1 d . . .
H30B H 0.0986 0.0730 -0.5166 0.073 Uiso 1 1 calc R . .
C31 C 0.1362(5) 0.2193(4) -0.5847(4) 0.0519(16) Uani 1 1 d . . .
C32 C 0.0392(5) 0.2357(5) -0.5603(4) 0.0565(17) Uani 1 1 d . . .
H32B H 0.0124 0.2138 -0.5113 0.068 Uiso 1 1 calc R . .
C33 C -0.0187(5) 0.2849(5) -0.6087(4) 0.0593(18) Uani 1 1 d . . .
H33B H -0.0845 0.2959 -0.5922 0.071 Uiso 1 1 calc R . .
C34 C 0.0202(5) 0.3177(5) -0.6808(4) 0.0545(17) Uani 1 1 d . . .
C35 C 0.1171(5) 0.3001(5) -0.7071(4) 0.0605(18) Uani 1 1 d . . .
H35B H 0.1425 0.3200 -0.7575 0.073 Uiso 1 1 calc R . .
C36 C 0.1757(5) 0.2527(5) -0.6576(4) 0.0583(18) Uani 1 1 d . . .
H36B H 0.2420 0.2431 -0.6733 0.070 Uiso 1 1 calc R . .
C37 C -0.1196(5) 0.4064(5) -0.6990(4) 0.0628(18) Uani 1 1 d . . .
C38 C -0.2152(6) 0.3528(6) -0.7294(5) 0.076(2) Uani 1 1 d . . .
H38B H -0.2239 0.2859 -0.7688 0.092 Uiso 1 1 calc R . .
C39 C -0.3011(6) 0.3988(5) -0.7011(5) 0.073(2) Uani 1 1 d . . .
H39B H -0.3672 0.3618 -0.7218 0.087 Uiso 1 1 calc R . .
C40 C -0.2900(5) 0.4986(5) -0.6426(4) 0.0530(16) Uani 1 1 d . . .
C41 C -0.1900(5) 0.5512(5) -0.6163(5) 0.067(2) Uani 1 1 d . . .
H41B H -0.1796 0.6191 -0.5788 0.080 Uiso 1 1 calc R . .
C42 C -0.1065(6) 0.5060(6) -0.6441(5) 0.076(2) Uani 1 1 d . . .
H42B H -0.0401 0.5431 -0.6255 0.091 Uiso 1 1 calc R . .
C43 C -0.4647(5) 0.5056(5) -0.6177(4) 0.0626(19) Uani 1 1 d . . .
H43B H -0.4787 0.4347 -0.6455 0.075 Uiso 1 1 calc R . .
C44 C -0.5497(5) 0.5600(5) -0.5844(4) 0.0552(17) Uani 1 1 d . . .
C45 C -0.6503(6) 0.5065(6) -0.6044(5) 0.080(2) Uani 1 1 d . . .
H45B H -0.6629 0.4367 -0.6369 0.095 Uiso 1 1 calc R . .
C46 C -0.7302(6) 0.5575(7) -0.5757(5) 0.088(3) Uani 1 1 d . . .
H46B H -0.7981 0.5230 -0.5889 0.106 Uiso 1 1 calc R . .
C47 C -0.7096(6) 0.6608(8) -0.5270(6) 0.100(3) Uani 1 1 d . . .
H47B H -0.7624 0.6979 -0.5066 0.120 Uiso 1 1 calc R . .
C48 C -0.6053(6) 0.7070(7) -0.5097(5) 0.085(3) Uani 1 1 d . . .
H48B H -0.5904 0.7765 -0.4765 0.102 Uiso 1 1 calc R . .
N9 N 0.6399(9) 0.1252(9) -0.1572(9) 0.177(4) Uani 1 1 d U . .
C49 C 0.6537(12) 0.0691(12) -0.2326(12) 0.180(5) Uani 1 1 d U . .
C50 C 0.6721(12) 0.0090(12) -0.3205(10) 0.204(6) Uani 1 1 d U . .
H50C H 0.6447 0.0362 -0.3676 0.245 Uiso 1 1 d R . .
H50A H 0.6381 -0.0610 -0.3308 0.245 Uiso 1 1 d R . .
H50B H 0.7448 0.0093 -0.3261 0.245 Uiso 1 1 d R . .
B1 B 0.4441(14) 0.2152(14) 0.2149(12) 0.150(4) Uani 1 1 d U . .
F11 F 0.4940(6) 0.2611(6) 0.1595(5) 0.173(3) Uani 1 1 d U A .
F12 F 0.3607(9) 0.1439(9) 0.1698(7) 0.148(4) Uiso 0.650(7) 1 d PU A 1
F13 F 0.4335(8) 0.2606(8) 0.3000(7) 0.142(3) Uiso 0.650(7) 1 d PU A 1
F14 F 0.5278(10) 0.1578(10) 0.2267(9) 0.173(4) Uiso 0.650(7) 1 d PU A 1
F12' F 0.4027(19) 0.1056(18) 0.1602(15) 0.162(6) Uiso 0.350(7) 1 d PU A 2
F13' F 0.3820(19) 0.2816(18) 0.2255(16) 0.174(6) Uiso 0.350(7) 1 d PU A 2
F14' F 0.4809(18) 0.1926(18) 0.2900(16) 0.163(6) Uiso 0.350(7) 1 d PU A 2
B2 B 0.9572(9) 0.2109(8) 0.6788(8) 0.098(2) Uani 1 1 d U . .
F21 F 0.9514(5) 0.2343(4) 0.7671(3) 0.130(2) Uani 1 1 d U B .
F22 F 1.0641(7) 0.2474(7) 0.6684(6) 0.124(3) Uiso 0.628(6) 1 d PU B 1
F23 F 0.9494(9) 0.1068(9) 0.6343(8) 0.141(3) Uiso 0.628(6) 1 d PU B 1
F24 F 0.9002(8) 0.2417(8) 0.6192(7) 0.121(3) Uiso 0.628(6) 1 d PU B 1
F22' F 0.8479(16) 0.1528(15) 0.6699(13) 0.155(5) Uiso 0.372(6) 1 d PU B 2
F23' F 0.9325(10) 0.2916(10) 0.6416(8) 0.081(3) Uiso 0.372(6) 1 d PU B 2
F24' F 1.0040(15) 0.1260(15) 0.6413(13) 0.136(5) Uiso 0.372(6) 1 d PU B 2
C51 C 0.6489(18) 0.0873(17) 0.0684(15) 0.122(7) Uiso 0.50 1 d PU . .
N10 N 0.7057(15) 0.1017(14) 0.1095(13) 0.125(6) Uiso 0.50 1 d PU . .
C52 C 0.546(2) 0.045(3) 0.019(2) 0.210(14) Uiso 0.50 1 d P . .
H52A H 0.5358 0.0709 -0.0337 0.315 Uiso 0.50 1 d PR . .
H52B H 0.5400 -0.0288 -0.0013 0.315 Uiso 0.50 1 d PR . .
H52C H 0.4953 0.0643 0.0615 0.315 Uiso 0.50 1 d PR . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 '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
_geom_angle_publ_flag
N4 Ag1 N2 161.88(18) 2_665 . ?
N4 Ag1 N1 116.89(19) 2_665 . ?
N2 Ag1 N1 72.44(18) . . ?
N4 Ag1 N3 72.50(18) 2_665 2_665 ?
N2 Ag1 N3 115.42(16) . 2_665 ?
N1 Ag1 N3 127.31(17) . 2_665 ?
C1 N1 C5 116.9(6) . . ?
C1 N1 Ag1 131.0(5) . . ?
C5 N1 Ag1 111.9(4) . . ?
C6 N2 C7 119.4(5) . . ?
C6 N2 Ag1 115.6(4) . . ?
C7 N2 Ag1 123.1(4) . . ?
C19 N3 C16 121.6(5) . . ?
C19 N3 Ag1 109.9(4) . 2_665 ?
C16 N3 Ag1 128.4(4) . 2_665 ?
C24 N4 C20 119.2(6) . . ?
C24 N4 Ag1 123.5(5) . 2_665 ?
C20 N4 Ag1 116.3(4) . 2_665 ?
C10 O1 C13 118.8(5) . . ?
N1 C1 C2 124.4(8) . . ?
C3 C2 C1 118.9(8) . . ?
C2 C3 C4 118.4(8) . . ?
C5 C4 C3 118.0(8) . . ?
N1 C5 C4 123.4(7) . . ?
N1 C5 C6 116.6(6) . . ?
C4 C5 C6 120.0(6) . . ?
N2 C6 C5 121.6(6) . . ?
C8 C7 C12 117.9(6) . . ?
C8 C7 N2 118.8(5) . . ?
C12 C7 N2 123.1(5) . . ?
C9 C8 C7 122.1(6) . . ?
C8 C9 C10 119.6(6) . . ?
C11 C10 O1 124.4(5) . . ?
C11 C10 C9 119.7(6) . . ?
O1 C10 C9 115.9(5) . . ?
C10 C11 C12 119.7(6) . . ?
C11 C12 C7 121.0(6) . . ?
C14 C13 C18 120.2(7) . . ?
C14 C13 O1 121.3(7) . . ?
C18 C13 O1 118.3(6) . . ?
C13 C14 C15 119.5(7) . . ?
C16 C15 C14 121.6(7) . . ?
C15 C16 C17 119.5(6) . . ?
C15 C16 N3 117.3(5) . . ?
C17 C16 N3 123.2(6) . . ?
C16 C17 C18 119.2(7) . . ?
C13 C18 C17 120.0(7) . . ?
N3 C19 C20 122.3(6) . . ?
N4 C20 C21 122.2(6) . . ?
N4 C20 C19 118.3(6) . . ?
C21 C20 C19 119.5(6) . . ?
C20 C21 C22 118.7(7) . . ?
C23 C22 C21 118.6(7) . . ?
C22 C23 C24 120.4(7) . . ?
N4 C24 C23 120.8(7) . . ?
N8 Ag2 N6 158.09(19) 2_564 . ?
N8 Ag2 N5 118.2(2) 2_564 . ?
N6 Ag2 N5 71.96(19) . . ?
N8 Ag2 N7 72.8(2) 2_564 2_564 ?
N6 Ag2 N7 116.38(18) . 2_564 ?
N5 Ag2 N7 131.60(19) . 2_564 ?
C25 N5 C29 117.7(7) . . ?
C25 N5 Ag2 130.7(5) . . ?
C29 N5 Ag2 111.4(5) . . ?
C30 N6 C31 120.7(5) . . ?
C30 N6 Ag2 116.1(4) . . ?
C31 N6 Ag2 121.2(4) . . ?
C43 N7 C40 121.4(5) . . ?
C43 N7 Ag2 110.6(4) . 2_564 ?
C40 N7 Ag2 127.9(4) . 2_564 ?
C48 N8 C44 116.9(6) . . ?
C48 N8 Ag2 126.4(5) . 2_564 ?
C44 N8 Ag2 115.8(4) . 2_564 ?
C34 O2 C37 117.7(5) . . ?
N5 C25 C26 123.4(8) . . ?
C27 C26 C25 117.8(8) . . ?
C26 C27 C28 120.5(8) . . ?
C27 C28 C29 119.6(8) . . ?
N5 C29 C28 121.0(7) . . ?
N5 C29 C30 117.3(6) . . ?
C28 C29 C30 121.7(6) . . ?
N6 C30 C29 122.3(6) . . ?
C32 C31 C36 119.6(6) . . ?
C32 C31 N6 122.0(6) . . ?
C36 C31 N6 118.1(6) . . ?
C31 C32 C33 119.8(6) . . ?
C34 C33 C32 120.5(6) . . ?
C33 C34 O2 124.2(6) . . ?
C33 C34 C35 120.3(6) . . ?
O2 C34 C35 115.4(6) . . ?
C36 C35 C34 119.2(6) . . ?
C35 C36 C31 120.5(6) . . ?
C38 C37 C42 120.6(7) . . ?
C38 C37 O2 118.8(6) . . ?
C42 C37 O2 120.0(6) . . ?
C37 C38 C39 119.3(7) . . ?
C40 C39 C38 121.3(6) . . ?
C41 C40 C39 116.8(6) . . ?
C41 C40 N7 117.4(5) . . ?
C39 C40 N7 125.7(6) . . ?
C42 C41 C40 121.6(6) . . ?
C41 C42 C37 120.4(7) . . ?
N7 C43 C44 121.9(6) . . ?
N8 C44 C45 122.8(7) . . ?
N8 C44 C43 118.4(6) . . ?
C45 C44 C43 118.8(6) . . ?
C46 C45 C44 119.1(8) . . ?
C45 C46 C47 119.5(7) . . ?
C46 C47 C48 116.7(8) . . ?
N8 C48 C47 125.0(8) . . ?
N9 C49 C50 177.1(18) . . ?
F13 B1 F13' 65.8(15) . . ?
F13 B1 F11 123.6(15) . . ?
F13' B1 F11 89.0(17) . . ?
F13 B1 F14' 53.0(13) . . ?
F13' B1 F14' 118(2) . . ?
F11 B1 F14' 129.1(18) . . ?
F13 B1 F12 114.5(15) . . ?
F13' B1 F12 86.0(16) . . ?
F11 B1 F12 112.8(14) . . ?
F14' B1 F12 111.3(17) . . ?
F13 B1 F14 100.6(14) . . ?
F13' B1 F14 164.6(19) . . ?
F11 B1 F14 93.3(13) . . ?
F14' B1 F14 49.7(13) . . ?
F12 B1 F14 107.0(15) . . ?
F13 B1 F12' 128.4(17) . . ?
F13' B1 F12' 118.0(19) . . ?
F11 B1 F12' 108.0(15) . . ?
F14' B1 F12' 96.2(18) . . ?
F12 B1 F12' 32.1(11) . . ?
F14 B1 F12' 75.7(14) . . ?
F21 B2 F24 125.2(10) . . ?
F21 B2 F23 115.8(10) . . ?
F24 B2 F23 101.4(10) . . ?
F21 B2 F24' 116.0(12) . . ?
F24 B2 F24' 116.2(12) . . ?
F23 B2 F24' 30.2(9) . . ?
F21 B2 F23' 111.2(9) . . ?
F24 B2 F23' 30.4(6) . . ?
F23 B2 F23' 128.5(11) . . ?
F24' B2 F23' 131.3(13) . . ?
F21 B2 F22 104.5(9) . . ?
F24 B2 F22 106.3(10) . . ?
F23 B2 F22 100.9(10) . . ?
F24' B2 F22 71.6(10) . . ?
F23' B2 F22 86.3(9) . . ?
F21 B2 F22' 86.5(10) . . ?
F24 B2 F22' 72.0(11) . . ?
F23 B2 F22' 67.1(10) . . ?
F24' B2 F22' 97.0(13) . . ?
F23' B2 F22' 96.8(12) . . ?
F22 B2 F22' 166.8(12) . . ?
N10 C51 C52 163(3) . . ?
C51 C52 C52 152(4) . 2_655 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N4 2.242(5) 2_665 ?
Ag1 N2 2.270(5) . ?
Ag1 N1 2.390(6) . ?
Ag1 N3 2.450(5) 2_665 ?
N1 C1 1.309(9) . ?
N1 C5 1.340(8) . ?
N2 C6 1.257(8) . ?
N2 C7 1.415(7) . ?
N3 C19 1.271(8) . ?
N3 C16 1.435(7) . ?
N3 Ag1 2.450(5) 2_665 ?
N4 C24 1.328(9) . ?
N4 C20 1.337(8) . ?
N4 Ag1 2.242(5) 2_665 ?
O1 C10 1.380(7) . ?
O1 C13 1.396(8) . ?
C1 C2 1.369(11) . ?
C2 C3 1.355(12) . ?
C3 C4 1.406(11) . ?
C4 C5 1.364(10) . ?
C5 C6 1.492(9) . ?
C7 C8 1.371(8) . ?
C7 C12 1.386(8) . ?
C8 C9 1.363(9) . ?
C9 C10 1.386(8) . ?
C10 C11 1.373(9) . ?
C11 C12 1.384(9) . ?
C13 C14 1.366(10) . ?
C13 C18 1.368(10) . ?
C14 C15 1.373(10) . ?
C15 C16 1.355(9) . ?
C16 C17 1.381(8) . ?
C17 C18 1.397(9) . ?
C19 C20 1.459(9) . ?
C20 C21 1.376(9) . ?
C21 C22 1.387(10) . ?
C22 C23 1.349(11) . ?
C23 C24 1.391(10) . ?
Ag2 N8 2.240(5) 2_564 ?
Ag2 N6 2.282(5) . ?
Ag2 N5 2.413(6) . ?
Ag2 N7 2.421(5) 2_564 ?
N5 C25 1.341(10) . ?
N5 C29 1.344(8) . ?
N6 C30 1.255(8) . ?
N6 C31 1.432(8) . ?
N7 C43 1.267(8) . ?
N7 C40 1.424(8) . ?
N7 Ag2 2.421(5) 2_564 ?
N8 C48 1.307(9) . ?
N8 C44 1.337(8) . ?
N8 Ag2 2.240(5) 2_564 ?
O2 C34 1.377(8) . ?
O2 C37 1.404(8) . ?
C25 C26 1.378(12) . ?
C26 C27 1.342(12) . ?
C27 C28 1.362(12) . ?
C28 C29 1.377(10) . ?
C29 C30 1.471(9) . ?
C31 C32 1.373(9) . ?
C31 C36 1.387(9) . ?
C32 C33 1.383(9) . ?
C33 C34 1.369(9) . ?
C34 C35 1.382(9) . ?
C35 C36 1.381(9) . ?
C37 C38 1.347(10) . ?
C37 C42 1.365(10) . ?
C38 C39 1.395(10) . ?
C39 C40 1.387(9) . ?
C40 C41 1.384(8) . ?
C41 C42 1.359(10) . ?
C43 C44 1.459(9) . ?
C44 C45 1.388(9) . ?
C45 C46 1.362(11) . ?
C46 C47 1.378(12) . ?
C47 C48 1.402(11) . ?
N9 C49 1.220(18) . ?
C49 C50 1.404(19) . ?
B1 F13 1.283(19) . ?
B1 F13' 1.29(3) . ?
B1 F11 1.313(18) . ?
B1 F14' 1.33(3) . ?
B1 F12 1.365(18) . ?
B1 F14 1.47(2) . ?
B1 F12' 1.50(3) . ?
B2 F21 1.286(11) . ?
B2 F24 1.330(14) . ?
B2 F23 1.379(14) . ?
B2 F24' 1.38(2) . ?
B2 F23' 1.428(16) . ?
B2 F22 1.448(14) . ?
B2 F22' 1.51(2) . ?
C51 N10 0.91(3) . ?
C51 C52 1.46(3) . ?
C52 C52 1.56(6) 2_655 ?
