#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:17:34 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179622 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/86/4508667.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4508667
loop_
_publ_author_name
'Wang, Zhi-Bin'
'Zhu, Hui-Fang'
'Zhao, Min'
'Li, Yi-Zhi'
'Okamura, Taka-aki'
'Sun, Wei-Yin'
'Chen, Hui-Lan'
'Ueyama, Norikazu'
_publ_section_title
;
 Silver(I) Ion Assisted Assembly of One-Dimensional Polyrotaxanes
 Incorporating Cucurbit[6]uril
;
_journal_issue                   6
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1420
_journal_paper_doi               10.1021/cg060062m
_journal_volume                  6
_journal_year                    2006
_chemical_formula_sum            'C108 H160 Ag2 N62 O58'
_chemical_formula_weight         3470.72
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 110.430(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   31.3049(17)
_cell_length_b                   12.0340(12)
_cell_length_c                   22.227(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.55
_cell_measurement_theta_min      2.01
_cell_volume                     7846.7(14)
_computing_cell_refinement       XSCANS
_computing_data_collection       'XSCANS, Siemens '
_computing_data_reduction        XSCANS
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL, Siemens '
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'Siemens 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  0.0227
_diffrn_reflns_av_sigmaI/netI    0.0714
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            7856
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         1.39
_diffrn_standards_decay_%        0.001
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.356
_exptl_absorpt_correction_T_max  0.91
_exptl_absorpt_correction_T_min  0.90
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   'SADABS, Bruker(2000)'
_exptl_crystal_density_diffrn    1.469
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3600
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.710
_refine_diff_density_min         -0.508
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     552
_refine_ls_number_reflns         7710
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.1015
_refine_ls_R_factor_gt           0.0609
_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)+(0.06P)²+1.55P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1256
_refine_ls_wR_factor_ref         0.1327
_reflns_number_gt                4989
_reflns_number_total             7710
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg060062msup1.cif
_cod_data_source_block           w3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      'C2/c  '
_cod_database_code               4508667
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
Ag1 Ag 1.0000 0.79009(4) 0.2500 0.05532(15) Uani 1 2 d S
C1 C 0.82168(12) 0.1024(3) -0.12876(16) 0.0371(7) Uani 1 1 d .
C2 C 0.84328(12) -0.0393(2) 0.04256(15) 0.0321(7) Uani 1 1 d .
C3 C 0.74392(12) -0.0265(3) 0.12238(17) 0.0400(8) Uani 1 1 d .
C4 C 0.87181(11) 0.3830(3) -0.04312(17) 0.0370(7) Uani 1 1 d .
C5 C 0.89116(11) 0.2478(3) 0.12238(16) 0.0331(7) Uani 1 1 d .
C6 C 0.79301(10) 0.2529(2) 0.21007(15) 0.0292(6) Uani 1 1 d .
C7 C 0.85746(12) 0.2718(3) -0.13673(16) 0.0355(7) Uani 1 1 d .
H7 H 0.8719 0.2860 -0.1687 0.043 Uiso 1 1 calc R
C8 C 0.88922(11) 0.2093(3) -0.07609(16) 0.0349(7) Uani 1 1 d .
H8 H 0.9183 0.1893 -0.0807 0.042 Uiso 1 1 calc R
C9 C 0.90816(10) 0.0760(3) 0.07971(16) 0.0354(7) Uani 1 1 d .
H9 H 0.9395 0.0505 0.0883 0.042 Uiso 1 1 calc R
C10 C 0.88983(11) 0.0496(2) 0.13654(15) 0.0324(7) Uani 1 1 d .
H10 H 0.9127 0.0105 0.1720 0.039 Uiso 1 1 calc R
C11 C 0.80328(12) 0.0591(3) 0.21341(17) 0.0394(7) Uani 1 1 d .
H11 H 0.8217 0.0186 0.2520 0.047 Uiso 1 1 calc R
C12 C 0.75361(10) 0.0866(3) 0.21425(16) 0.0328(7) Uani 1 1 d .
H12 H 0.7494 0.0626 0.2539 0.039 Uiso 1 1 calc R
C13 C 0.87878(12) 0.0112(3) -0.03427(16) 0.0410(8) Uani 1 1 d .
H13A H 0.8627 -0.0555 -0.0544 0.049 Uiso 1 1 calc R
H13B H 0.9106 0.0017 -0.0292 0.049 Uiso 1 1 calc R
C14 C 0.82553(11) -0.0773(3) 0.14037(15) 0.0347(7) Uani 1 1 d .
H14A H 0.8476 -0.1041 0.1803 0.042 Uiso 1 1 calc R
H14B H 0.8103 -0.1417 0.1160 0.042 Uiso 1 1 calc R
C15 C 0.67406(12) 0.0314(3) 0.13988(18) 0.0449(9) Uani 1 1 d .
H15A H 0.6628 -0.0321 0.1120 0.054 Uiso 1 1 calc R
H15B H 0.6656 0.0212 0.1775 0.054 Uiso 1 1 calc R
C16 C 0.92661(11) 0.2645(3) 0.04103(16) 0.0339(7) Uani 1 1 d .
H16A H 0.9356 0.3357 0.0621 0.041 Uiso 1 1 calc R
H16B H 0.9538 0.2268 0.0403 0.041 Uiso 1 1 calc R
C17 C 0.87092(11) 0.1829(3) 0.21510(17) 0.0426(8) Uani 1 1 d .
H17A H 0.8787 0.2600 0.2265 0.051 Uiso 1 1 calc R
H17B H 0.8905 0.1369 0.2495 0.051 Uiso 1 1 calc R
C18 C 0.71858(12) 0.2757(3) 0.22029(18) 0.0412(8) Uani 1 1 d .
H18A H 0.7067 0.2348 0.2486 0.049 Uiso 1 1 calc R
H18B H 0.7314 0.3447 0.2414 0.049 Uiso 1 1 calc R
C19 C 0.90378(15) 0.7097(4) 0.1388(2) 0.0565(10) Uani 1 1 d .
H19 H 0.8971 0.6912 0.1752 0.068 Uiso 1 1 calc R
C20 C 0.87289(14) 0.6816(3) 0.0811(2) 0.0468(9) Uani 1 1 d .
C21 C 0.88335(16) 0.7107(3) 0.0275(2) 0.0579(10) Uani 1 1 d .
H21 H 0.8625 0.6950 -0.0131 0.069 Uiso 1 1 calc R
C22 C 0.9246(2) 0.7632(4) 0.0326(3) 0.0693(14) Uani 1 1 d .
H22 H 0.9313 0.7808 -0.0038 0.083 Uiso 1 1 calc R
C23 C 0.95424(18) 0.7874(4) 0.0921(3) 0.0699(13) Uani 1 1 d .
H23 H 0.9819 0.8208 0.0963 0.084 Uiso 1 1 calc R
C24 C 0.82737(13) 0.6256(3) 0.0758(2) 0.0548(10) Uani 1 1 d .
H24A H 0.8190 0.6484 0.1120 0.066 Uiso 1 1 calc R
H24B H 0.8038 0.6514 0.0370 0.066 Uiso 1 1 calc R
C25 C 0.78177(15) 0.4603(4) 0.0465(2) 0.0693(14) Uani 1 1 d .
H25A H 0.7727 0.4641 0.0001 0.083 Uiso 1 1 d R
H25B H 0.7609 0.5051 0.0599 0.083 Uiso 1 1 d R
C26 C 0.78187(15) 0.3427(4) 0.0652(2) 0.0578(11) Uani 1 1 d .
H26A H 0.7575 0.3312 0.0820 0.069 Uiso 1 1 calc R
H26B H 0.8104 0.3268 0.0995 0.069 Uiso 1 1 calc R
C27 C 0.77607(15) 0.2622(4) 0.0116(2) 0.0670(13) Uani 1 1 d .
H27A H 0.7938 0.1952 0.0268 0.080 Uiso 1 1 d R
H27B H 0.7847 0.2952 -0.0223 0.080 Uiso 1 1 d R
N1 N 0.81928(10) 0.1992(3) -0.15928(15) 0.0437(7) Uani 1 1 d .
N2 N 0.86042(11) 0.1060(2) -0.07687(15) 0.0461(7) Uani 1 1 d .
N3 N 0.87533(10) 0.0223(2) 0.02556(14) 0.0398(6) Uani 1 1 d .
N4 N 0.84965(10) -0.0209(2) 0.10456(13) 0.0360(6) Uani 1 1 d .
N5 N 0.79206(10) -0.0107(2) 0.15524(15) 0.0432(7) Uani 1 1 d .
N6 N 0.72422(10) 0.0338(2) 0.16017(13) 0.0376(6) Uani 1 1 d .
N7 N 0.84690(10) 0.3743(3) -0.10823(14) 0.0439(7) Uani 1 1 d .
N8 N 0.89590(10) 0.2816(3) -0.02333(15) 0.0437(7) Uani 1 1 d .
N9 N 0.90380(10) 0.1954(2) 0.07797(14) 0.0397(6) Uani 1 1 d .
N10 N 0.87906(10) 0.1574(2) 0.15593(14) 0.0403(7) Uani 1 1 d .
N11 N 0.82253(10) 0.1635(3) 0.20853(13) 0.0407(7) Uani 1 1 d .
N12 N 0.75519(10) 0.2089(3) 0.20870(14) 0.0437(7) Uani 1 1 d .
N13 N 0.94404(12) 0.7631(3) 0.14780(17) 0.0550(9) Uani 1 1 d .
N14 N 0.82929(13) 0.5017(3) 0.07437(18) 0.0642(10) Uani 1 1 d .
H14C H 0.8456 0.4795 0.0503 0.077 Uiso 1 1 calc R
H14D H 0.8427 0.4750 0.1144 0.077 Uiso 1 1 calc R
N15 N 0.92673(9) 0.9018(2) 0.29828(12) 0.0293(6) Uani 1 1 d .
N16 N 0.4455(2) 0.0063(5) 0.3055(3) 0.0465(14) Uani 0.50 1 d P
O1 O 0.79766(8) 0.0282(2) -0.14265(12) 0.0471(6) Uani 1 1 d .
O2 O 0.81305(8) -0.0968(2) 0.00854(12) 0.0441(6) Uani 1 1 d .
O3 O 0.72635(9) -0.0861(2) 0.07853(12) 0.0468(6) Uani 1 1 d .
O4 O 0.87376(8) 0.4558(2) -0.00808(11) 0.0402(5) Uani 1 1 d .
O5 O 0.88927(8) 0.34411(18) 0.13522(11) 0.0389(5) Uani 1 1 d .
O6 O 0.80608(8) 0.3482(2) 0.21484(11) 0.0411(6) Uani 1 1 d .
O7 O 0.89722(9) 0.9544(2) 0.31262(12) 0.0493(6) Uani 1 1 d .
O8 O 0.92820(8) 0.8025(2) 0.29825(11) 0.0444(6) Uani 1 1 d .
O9 O 0.95745(8) 0.95298(19) 0.28473(11) 0.0401(5) Uani 1 1 d .
O10 O 0.48143(19) 0.0034(4) 0.3510(2) 0.0468(12) Uani 0.50 1 d P
O11 O 0.44042(17) -0.0024(4) 0.2505(2) 0.0425(11) Uani 0.50 1 d P
O12 O 0.40713(19) 0.0141(5) 0.3168(3) 0.0581(15) Uani 0.50 1 d P
O13 O 0.77224(15) 0.8016(4) 0.8606(2) 0.0473(10) Uani 0.60 1 d P
H13D H 0.7740 0.7769 0.8257 0.057 Uiso 0.60 1 d PR
H13C H 0.7894 0.8581 0.8727 0.057 Uiso 0.60 1 d PR
O14 O 0.5000 0.5000 1.0000 0.0493(11) Uani 0.80 2 d SP
H14E H 0.4876 0.4585 1.0201 0.059 Uiso 0.40 1 d PR
H14F H 0.4867 0.5627 0.9930 0.059 Uiso 0.40 1 d PR
O15 O 0.97615(7) 0.44030(18) 0.94059(10) 0.0374(5) Uani 1 1 d .
H15D H 0.9476 0.4319 0.9219 0.045 Uiso 1 1 d R
H15C H 0.9856 0.4910 0.9217 0.045 Uiso 1 1 d R
O16 O 0.89822(7) 0.26781(19) 0.37044(11) 0.0374(5) Uani 1 1 d .
H16F H 0.8914 0.1996 0.3715 0.045 Uiso 1 1 d R
H16C H 0.9091 0.2782 0.3408 0.045 Uiso 1 1 d R
O17 O 0.97420(14) 0.1755(3) 0.38229(19) 0.0320(9) Uani 0.50 1 d P
H17F H 0.9747 0.1616 0.3451 0.038 Uiso 0.50 1 d PR
H17E H 0.9768 0.1153 0.4033 0.038 Uiso 0.50 1 d PR
O18 O 0.00373(15) 0.1527(4) 0.3058(2) 0.0391(11) Uani 0.50 1 d P
H18D H 0.0314 0.1533 0.3080 0.047 Uiso 0.50 1 d PR
H18E H -0.0044 0.0862 0.3089 0.047 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'
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'
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
N13 Ag1 N13 164.15(18) . 2_755
O1 C1 N1 129.1(4) . .
O1 C1 N2 124.6(3) . .
N1 C1 N2 106.2(3) . .
O2 C2 N4 122.9(3) . .
O2 C2 N3 128.0(3) . .
N4 C2 N3 109.1(3) . .
O3 C3 N6 129.2(3) . .
O3 C3 N5 127.1(3) . .
N6 C3 N5 103.2(3) . .
O4 C4 N7 129.5(3) . .
O4 C4 N8 122.9(3) . .
N7 C4 N8 107.6(3) . .
O5 C5 N9 132.9(3) . .
O5 C5 N10 124.2(3) . .
N9 C5 N10 102.9(3) . .
O6 C6 N12 132.2(3) . .
O6 C6 N11 121.0(3) . .
N12 C6 N11 106.7(3) . .
N1 C7 N7 112.2(3) . .
N1 C7 C8 102.3(3) . .
N7 C7 C8 101.7(3) . .
N1 C7 H7 113.2 . .
N7 C7 H7 113.2 . .
C8 C7 H7 113.2 . .
N8 C8 N2 115.1(2) . .
N8 C8 C7 106.6(3) . .
N2 C8 C7 100.7(3) . .
N8 C8 H8 111.3 . .
N2 C8 H8 111.3 . .
C7 C8 H8 111.3 . .
N3 C9 N9 113.1(3) . .
N3 C9 C10 103.0(3) . .
N9 C9 C10 99.4(2) . .
N3 C9 H9 113.3 . .
N9 C9 H9 113.3 . .
C10 C9 H9 113.3 . .
N10 C10 N4 114.3(3) . .
N10 C10 C9 104.1(2) . .
N4 C10 C9 102.4(2) . .
N10 C10 H10 111.8 . .
N4 C10 H10 111.8 . .
C9 C10 H10 111.8 . .
N11 C11 N5 114.6(3) . .
N11 C11 C12 105.0(3) . .
N5 C11 C12 101.1(3) . .
N11 C11 H11 111.8 . .
N5 C11 H11 111.8 . .
C12 C11 H11 111.8 . .
N6 C12 N12 114.5(3) . .
N6 C12 C11 104.4(3) . .
N12 C12 C11 98.3(2) . .
N6 C12 H12 112.8 . .
N12 C12 H12 112.8 . .
C11 C12 H12 112.8 . .
N3 C13 N2 113.8(3) . .
N3 C13 H13A 108.8 . .
N2 C13 H13A 108.8 . .
N3 C13 H13B 108.8 . .
N2 C13 H13B 108.8 . .
H13A C13 H13B 107.7 . .
N4 C14 N5 115.2(3) . .
N4 C14 H14A 108.5 . .
N5 C14 H14A 108.5 . .
N4 C14 H14B 108.5 . .
N5 C14 H14B 108.5 . .
H14A C14 H14B 107.5 . .
N7 C15 N6 114.0(3) 7_655 .
N7 C15 H15A 108.7 7_655 .
N6 C15 H15A 108.7 . .
N7 C15 H15B 108.7 7_655 .
N6 C15 H15B 108.7 . .
H15A C15 H15B 107.6 . .
N8 C16 N9 110.0(3) . .
N8 C16 H16A 109.7 . .
N9 C16 H16A 109.7 . .
N8 C16 H16B 109.7 . .
N9 C16 H16B 109.7 . .
H16A C16 H16B 108.2 . .
N10 C17 N11 111.8(3) . .
N10 C17 H17A 109.3 . .
N11 C17 H17A 109.3 . .
N10 C17 H17B 109.3 . .
N11 C17 H17B 109.3 . .
H17A C17 H17B 107.9 . .
N1 C18 N12 111.6(3) 7_655 .
N1 C18 H18A 109.3 7_655 .
N12 C18 H18A 109.3 . .
N1 C18 H18B 109.3 7_655 .
N12 C18 H18B 109.3 . .
H18A C18 H18B 108.0 . .
C20 C19 N13 125.1(4) . .
C20 C19 H19 117.5 . .
N13 C19 H19 117.5 . .
C19 C20 C21 116.5(4) . .
C19 C20 C24 121.2(4) . .
C21 C20 C24 122.3(4) . .
C20 C21 C22 122.0(4) . .
C20 C21 H21 119.0 . .
C22 C21 H21 119.0 . .
C23 C22 C21 118.2(4) . .
C23 C22 H22 120.9 . .
C21 C22 H22 120.9 . .
C22 C23 N13 121.5(4) . .
C22 C23 H23 119.2 . .
N13 C23 H23 119.2 . .
N14 C24 C20 113.2(3) . .
N14 C24 H24A 108.9 . .
C20 C24 H24A 108.9 . .
N14 C24 H24B 108.9 . .
C20 C24 H24B 108.9 . .
H24A C24 H24B 107.7 . .
C26 C25 N14 107.6(4) . .
C26 C25 H25A 108.5 . .
N14 C25 H25A 107.9 . .
C26 C25 H25B 112.5 . .
N14 C25 H25B 111.6 . .
H25A C25 H25B 108.7 . .
C25 C26 C27 114.1(4) . .
C25 C26 H26A 108.7 . .
C27 C26 H26A 108.7 . .
C25 C26 H26B 108.7 . .
C27 C26 H26B 108.7 . .
H26A C26 H26B 107.6 . .
C26 C27 C27 102.0(5) . 7_655
C26 C27 H27A 111.4 . .
C27 C27 H27A 111.3 7_655 .
C26 C27 H27B 111.4 . .
C27 C27 H27B 111.4 7_655 .
H27A C27 H27B 109.3 . .
C1 N1 C7 117.7(3) . .
C1 N1 C18 121.7(3) . 7_655
C7 N1 C18 120.0(3) . 7_655
C1 N2 C13 124.0(3) . .
C1 N2 C8 112.7(3) . .
C13 N2 C8 121.9(3) . .
C13 N3 C2 120.9(3) . .
C13 N3 C9 125.3(3) . .
C2 N3 C9 112.5(3) . .
C2 N4 C14 124.8(3) . .
C2 N4 C10 112.7(3) . .
C14 N4 C10 121.7(2) . .
C3 N5 C14 121.6(3) . .
C3 N5 C11 114.0(3) . .
C14 N5 C11 123.0(3) . .
C12 N6 C3 117.2(3) . .
C12 N6 C15 126.0(3) . .
C3 N6 C15 116.8(3) . .
C15 N7 C4 117.8(3) 7_655 .
C15 N7 C7 127.5(3) 7_655 .
C4 N7 C7 112.5(3) . .
C8 N8 C4 111.2(3) . .
C8 N8 C16 126.4(3) . .
C4 N8 C16 122.0(3) . .
C5 N9 C9 119.9(3) . .
C5 N9 C16 117.2(3) . .
C9 N9 C16 120.3(3) . .
C5 N10 C10 113.1(3) . .
C5 N10 C17 117.9(3) . .
C10 N10 C17 126.3(3) . .
C11 N11 C6 111.8(3) . .
C11 N11 C17 125.3(3) . .
C6 N11 C17 121.6(3) . .
C6 N12 C12 117.6(3) . .
C6 N12 C18 122.0(3) . .
C12 N12 C18 118.1(3) . .
C19 N13 C23 116.6(4) . .
C19 N13 Ag1 122.9(3) . .
C23 N13 Ag1 119.8(3) . .
C25 N14 C24 107.6(3) . .
C25 N14 H14C 110.2 . .
C24 N14 H14C 110.2 . .
C25 N14 H14D 110.2 . .
C24 N14 H14D 110.2 . .
H14C N14 H14D 108.5 . .
O8 N15 O7 122.6(3) . .
O8 N15 O9 117.0(2) . .
O7 N15 O9 120.4(3) . .
O11 N16 O10 127.3(6) . .
O11 N16 O12 113.8(6) . .
O10 N16 O12 118.8(6) . .
H13D O13 H13C 109.5 . .
H14E O14 H14F 109.5 . .
H15D O15 H15C 109.5 . .
H16F O16 H16C 109.5 . .
H17F O17 H17E 109.8 . .
H18D O18 H18E 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N13 2.357(4) .
Ag1 N13 2.357(4) 2_755
C1 O1 1.138(4) .
C1 N1 1.337(4) .
C1 N2 1.352(5) .
C2 O2 1.203(4) .
C2 N4 1.340(4) .
C2 N3 1.401(4) .
C3 O3 1.180(4) .
C3 N6 1.405(4) .
C3 N5 1.439(5) .
C4 O4 1.159(4) .
C4 N7 1.388(4) .
C4 N8 1.422(4) .
C5 O5 1.200(4) .
C5 N9 1.342(4) .
C5 N10 1.443(4) .
C6 O6 1.210(4) .
C6 N12 1.287(4) .
C6 N11 1.426(4) .
C7 N1 1.423(5) .
C7 N7 1.476(4) .
C7 C8 1.560(5) .
C7 H7 0.9800 .
C8 N8 1.415(4) .
C8 N2 1.532(4) .
C8 H8 0.9800 .
C9 N3 1.435(4) .
C9 N9 1.442(4) .
C9 C10 1.591(4) .
C9 H9 0.9800 .
C10 N10 1.443(4) .
C10 N4 1.477(4) .
C10 H10 0.9800 .
C11 N11 1.414(5) .
C11 N5 1.477(4) .
C11 C12 1.596(4) .
C11 H11 0.9800 .
C12 N6 1.387(4) .
C12 N12 1.479(4) .
C12 H12 0.9800 .
C13 N3 1.378(4) .
C13 N2 1.466(5) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 N4 1.444(4) .
C14 N5 1.446(4) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 N7 1.374(5) 7_655
C15 N6 1.475(5) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 N8 1.433(4) .
C16 N9 1.512(4) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 N10 1.457(5) .
C17 N11 1.489(4) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 N1 1.488(5) 7_655
C18 N12 1.493(5) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 C20 1.352(6) .
C19 N13 1.365(5) .
C19 H19 0.9300 .
C20 C21 1.386(5) .
C20 C24 1.543(5) .
C21 C22 1.405(7) .
C21 H21 0.9300 .
C22 C23 1.356(8) .
C22 H22 0.9300 .
C23 N13 1.413(5) .
C23 H23 0.9300 .
C24 N14 1.493(5) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 C26 1.475(6) .
C25 N14 1.484(6) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 C27 1.497(6) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C27 C27 1.559(9) 7_655
C27 H27A 0.9700 .
C27 H27B 0.9700 .
N1 C18 1.488(5) 7_655
N7 C15 1.374(5) 7_655
N14 H14C 0.9000 .
N14 H14D 0.9000 .
N15 O8 1.197(3) .
N15 O7 1.249(4) .
N15 O9 1.264(3) .
N16 O11 1.181(8) .
N16 O10 1.223(8) .
N16 O12 1.314(8) .
O13 H13D 0.8501 .
O13 H13C 0.8500 .
O14 H14E 0.8500 .
O14 H14F 0.8499 .
O15 H15D 0.8501 .
O15 H15C 0.8502 .
O16 H16F 0.8501 .
O16 H16C 0.8501 .
O17 H17F 0.8501 .
O17 H17E 0.8499 .
O18 H18D 0.8500 .
O18 H18E 0.8500 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N14 H14C O4 0.90 1.83 2.717(4) 169.5 .
N14 H14D O5 0.90 2.09 2.680(4) 122.5 .
O13 H13D N12 0.85 2.46 3.232(5) 150.6 6_566
O13 H13C O1 0.85 2.11 2.849(5) 145.7 1_566
O15 H15D O12 0.85 2.33 2.897(6) 124.5 8_556
O15 H15C O10 0.85 1.53 2.164(5) 128.2 8_556
O15 H15C N16 0.85 2.45 2.888(7) 113.1 8_556
O17 H17F O18 0.85 1.47 2.217(6) 145.1 1_655
O17 H17E O14 0.85 2.45 3.237(4) 155.3 4_646
O18 H18D N10 0.85 2.63 3.466(5) 166.4 2_655
O18 H18E O9 0.85 1.96 2.760(5) 156.9 1_445
