# Supplementary Material (ESI) for Chemical Communications
# This journal is (c) The Royal Society of Chemistry 2011

data_global
_journal_name_full               Chem.Commun.
_journal_coden_cambridge         0182
_journal_year                    2011
#TrackingRef '4390_web_deposit_cif_file_0_MiquelBarcelo-Oliver_1298547510.cif'

#------------------ AUDIT DETAILS -------------------------------------------#

_audit_creation_date             2011-02-23
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_update_record             ?

#------------------ AUTHOR DETAILS -------------------------------------------#

# Name and address of author for correspondence

_publ_contact_author_name        'Barcelo-Oliver, Miquel'
_publ_contact_author_address     
;
Department of Chemistry,
University of the Balearic Islands,
campus UIB, cta. Valldemossa km 7.5, Ed. Mateu Orfila
Palma de Mallorca E-07122,
SPAIN
;
_publ_contact_author_email       miquel.barcelo@uib.es
_publ_contact_author_fax         0034971173426
_publ_contact_author_phone       0034971173199

# Insert blank lines between references

_publ_section_references         
;
Blessing, R. H. (1995) Acta Cryst., A51, 33-38.

Blessing, R. H. (1987) Cryst. Rev. 1, 3-58.

Blessing, R. H. (1989) J. Appl. Cryst. 22, 396-397.

Bruker (2007) APEX2 (Version 2.1-4), SAINT (version 7.34A), SADABS
(version 2007/4), BrukerAXS Inc, Madison, Wisconsin, USA.

Cremer, D. & Pople, J.A. (1975). J. Am. Chem. Soc. 97, 1354-1358.

Flack H. D. & Bernardinelli, G. (71999). Acta Cryst. A55, 908-915.

Flack H. D. & Bernardinelli, G. (2000). J. Appl. Cryst. 33, 1143-1148.

Lehman, M. S. and Larsen, F. K. (1974) Acta. Cryst. A30, 580

LePage, Y. (1987). J. Appl. Cryst. 20, 264-269.

North, A. C. T., Phillips, D. C. & Mathews, F. S. (1968) Acta Cryst,
A24, 351-359

Streltsov, V. A. & Zavodnik, V. E. (1989) Sov. Phys. Crystallogr.
34, 824-828

Streltsov, V. A. & Zavodnik, V. E. (1990) Sov. Phys. Crystallogr.
35, 281.

ABSCOR: Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.

APEX, APEX2, SMART, SAINT, SAINT-Plus: Bruker (2007). Program name(s).
Bruker AXS Inc., Madison, Wisconsin, USA.
[Older versions (pre-1997) should refer to Siemens Analytical X-ray
Instruments Inc. instead of Bruker AXS.]

CAD-4 Software: Enraf-Nonius (1989). CAD-4 Software (or CAD-4 EXPRESS).
Enraf-Nonius, Delft, The Netherlands.

Cambridge Structural Database: Allen, F. R. (2002). Acta Cryst. B58, 380-388.

CAMERON: Watkin, D. J., Prout, C. K. & Pearce, L. J. (1996). CAMERON.
Chemical Crystallography Laboratory, Oxford, England.

CrysAlis CCD, CrysAlis RED and associated programs: Oxford Diffraction (2006).
Program name(s). Oxford Diffraction Ltd, Abingdon, England.

CRYSTALS: Betteridge, P. W., Carruthers, J. R., Cooper, R. I., Prout, K. &
Watkin, D. J. (2003). J. Appl. Cryst. 36, 1487.

COLLECT: Nonius [or Hooft, R. W. W.] (1998). COLLECT. Nonius BV, Delft,
The Netherlands.

DENZO/SCALEPACK: Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology,
Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr
& R. M. Sweet, pp. 307-326. New York: Academic Press.

DIAMOND: Brandenburg, K. [or Brandenburg, K. & Putz, H., or Brandenburg, K.
& Berndt, M.] (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.

DIF4 and REDU4: Stoe & Cie (1991). Program name(s). Stoe & Cie, Darmstadt,
Germany.

DIFABS: Walker, N. & Stuart, D. (1983). Acta Cryst., A39, 158 - 166.

DIRAX: Duisenberg, A. J. M. (1992). J. Appl. Cryst. 25, 92-96.

DIRDIF99: Beurskens, P.T., Beurskens, G., de Gelder, R., Garci\'ia-Granda,
S., Gould, R.O., Israel, R. & Smits, J.M.M. (1999) The DIRDIF-99 program
system, Technical Report of the Crystallography Laboratory, University of
Nijmegen, The Netherlands.

enCIFer: Allen, F. H., Johnson, O., Shields, G. P., Smith, B. R. & Towler,
M. (2004). J. Appl. Cryst. 37, 335-338.

EVALCCD: Duisenberg, A. J. M., Kroon-Batenburg, L. M. J. & Schreurs,
A. M. M. (2003). J. Appl. Cryst. 36, 220-229.

JANA2000: Petricek, V. & Dusek, M. (2000). JANA2000. Institute of Physics,
Czech Academy of Sciences, Prague, Czech Republic.

Mercury: Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields,
G. P., Taylor, R., Towler, M. & van de Streek, J. (2006). J. Appl. Cryst.
39, 453-457.

Mogul: Bruno, I. J., Cole, J. C., Kessler, M., Luo, J., Motherwell,
W. D. S., Purkis, L. H., Smith, B. R., Taylor, R., Cooper, R. I., Harris,
S. E. & Orpen, A. G. (2004). J. Chem. Inf. Comput. Sci. 44, 2133-2144.

ORTEPII: Johnson, C. K. (1976). ORTEPII. Report ORNL-5138. Oak Ridge
National Laboratory, Tennessee, USA.

ORTEPIII: Burnett, M. N. & Johnson, C. K. (1996). ORTEPIII.
Report ORNL-6895. Oak Ridge National Laboratory, Tennessee, USA.

ORTEP-3: Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.

PARST: Nardelli, M. (1995). J. Appl. Cryst. 28, 659.

PLATON: Spek, A. L. (2003). J. Appl. Cryst. 36, 7-13.

PROCESS: Rigaku (1996). PROCESS. Rigaku Corporation, Tokyo, Japan.

PROCESS-AUTO: Rigaku (1998). PROCESS-AUTO. Rigaku Corporation, Tokyo, Japan.

publCIF: Westrip, S. P. (2008). publCIF. In preparation.

SADABS, TWINABS: Bruker (2001). Program name. Bruker AXS Inc., Madison,
Wisconsin, USA. or Sheldrick, G. M. (1996). Program name. University of
G\"ottingen, Germany.

SHELX Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

SIR92: Altomare, A., Cascarano, G., Giacovazzo, C., Guagliardi, A., Burla,
M. C., Polidori, G. & Camalli, M. (1994). J. Appl. Cryst. 27, 435.

SIR97: Altomare, A., Burla, M. C., Camalli, M., Cascarano, G. L.,
Giacovazzo, C., Guagliardi, A., Moliterni, A. G. G., Polidori, G. &
Spagna, R. (1999). J. Appl. Cryst. 32, 115-119.

SIR2002: Burla, M. C., Camalli, M., Carrozzini, B., Cascarano, G. L.,
Giacovazzo, C., Polidori, G. & Spagna, R. (2003). J. Appl. Cryst. 36, 1103.

SUPERFLIP Palatinus, L. & Chapuis, G. (2007) J. Appl. Cryst. 40, 786-790.

TEXSAN: Molecular Structure Corporation & Rigaku (2000). TEXSAN. MSC,
The Woodlands, Texas, USA, and Rigaku Corporation, Tokyo, Japan.

WinGX: Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.

X-AREA, X-RED, X-RED32, X-SHAPE: Stoe & Cie (2002). Program name(s).
Stoe & Cie GmbH, Darmstadt, Germany.

XCAD4: Harms, K. & Wocadlo, S. (1995). XCAD4. University of Marburg, Germany.

XSCANS: Siemens (1994). XSCANS. Siemens Analytical X-ray Instruments Inc.,
Madison, Wisconsin, USA.

;
_publ_requested_category         FM
loop_
_publ_author_name
'Miquel Barcelo-Oliver'
'Carolina Estarellas'
'Angel Terron'
'Angel Garcia-Raso'
;
A.Frontera
;

#------------------ SECTION 2. COMPOUND(S) DETAILS -------------------------#

data_mb280410
_database_code_depnum_ccdc_archive 'CCDC 808859'
#TrackingRef '4390_web_deposit_cif_file_0_MiquelBarcelo-Oliver_1298547510.cif'

_audit_creation_date             2011-02-23T20:42:57-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
# CHEMICAL INFORMATION #
#----------------------------------------------------------------------------#

_chemical_name_systematic        
;
[Ag(NO3)(N1-hexyluracil-\kO4)4]
;
_chemical_formula_moiety         'C40 H64 Ag1 N9 O11'
_chemical_formula_sum            'C40 H64 Ag1 N9 O11'
_chemical_formula_weight         954.87
_chemical_compound_source        'synthesis as described'

#----------------------------------------------------------------------------#
# UNIT CELL INFORMATION #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'I 2/a'
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_Int_Tables_number      15
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'

_cell_length_a                   19.2793(13)
_cell_length_b                   25.2623(12)
_cell_length_c                   19.4304(19)
_cell_angle_alpha                90
_cell_angle_beta                 90.390(7)
_cell_angle_gamma                90
_cell_volume                     9463.2(12)
_cell_formula_units_Z            8
_cell_measurement_temperature    183(2)
_cell_measurement_reflns_used    8470
_cell_measurement_theta_min      2.4811
_cell_measurement_theta_max      29.4362
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
# CRYSTAL INFORMATION #
#----------------------------------------------------------------------------#

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.06
_exptl_crystal_density_diffrn    1.34
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4016
_exptl_special_details           
;
?
;

#----------------------------------------------------------------------------#
# ABSORPTION CORRECTION #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    0.49
_exptl_absorpt_correction_T_min  0.890
_exptl_absorpt_correction_T_max  0.980
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov 6 2009,16:24:50)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;

#----------------------------------------------------------------------------#
# DATA COLLECTION #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      183(2)
_diffrn_radiation_wavelength     0.7107
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur Ruby'
_diffrn_measurement_method       '/o oscillation scan'
_diffrn_detector_area_resol_mean 10.4498
_diffrn_radiation_probe          x-ray
_diffrn_reflns_av_R_equivalents  0.0818
_diffrn_reflns_av_unetI/netI     0.0837
_diffrn_reflns_number            36867
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.49
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_full        26.02
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_reflns_number_total             9286
_reflns_number_gt                5285
_reflns_threshold_expression     >2\s(I)

#----------------------------------------------------------------------------#
# COMPUTER PROGRAMS USED #
#----------------------------------------------------------------------------#

_computing_data_collection       'CrysAlis RED (Oxford, 2007)'
_computing_cell_refinement       'CrysAlis RED (Oxford, 2007)'
_computing_data_reduction        'CrysAlis RED (Oxford, 2007)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

#----------------------------------------------------------------------------#
# STRUCTURE SOLUTION
#----------------------------------------------------------------------------#

_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom

#----------------------------------------------------------------------------#
# REFINEMENT INFORMATION #
#----------------------------------------------------------------------------#

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2\s(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
During the refinement some restraints have been applied to the aliphatic
chains: xyz and Uij parameters of atoms C7 and C7', C27 and C27', C47 and
C47' and C67 and C67' have been equated by means of EXYZ and EADP constraints.
Also, ISOR and DELU restraints have been applied to the whole disordered chains
(i.e.: from C7 to C12' and so on).
Finally, the occupancies of the disordered parts were allowed to freely refine
until a constant number is obtained and then the values were changed by a fixed
one in order to simplify the refinement job.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0614P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         9286
_refine_ls_number_parameters     741
_refine_ls_number_restraints     699
_refine_ls_R_factor_all          0.1031
_refine_ls_R_factor_gt           0.0502
_refine_ls_wR_factor_ref         0.1293
_refine_ls_wR_factor_gt          0.1169
_refine_ls_goodness_of_fit_ref   0.95
_refine_ls_restrained_S_all      0.993
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0
_refine_diff_density_max         0.708
_refine_diff_density_min         -0.559
_refine_diff_density_rms         0.064

#----------------------------------------------------------------------------#
# ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS #
#----------------------------------------------------------------------------#

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 0 '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 0.006 '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_
_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 0.25 0.744832(14) 0.5 0.04731(10) Uani 1 2 d S . .
N101 N 0.25 0.86059(14) 0.5 0.0427(9) Uani 1 2 d S . .
O102 O 0.25 0.90935(14) 0.5 0.0717(10) Uani 1 2 d S . .
O103 O 0.23529(10) 0.83440(9) 0.44719(9) 0.0603(6) Uani 1 1 d . . .
N1 N 0.34963(9) 0.67649(9) 0.22456(9) 0.0376(6) Uani 1 1 d D . .
C2 C 0.37779(11) 0.68718(12) 0.28850(12) 0.0421(8) Uani 1 1 d D A .
O2 O 0.44014(8) 0.68680(9) 0.30019(9) 0.0590(7) Uani 1 1 d D . .
N3 N 0.33038(9) 0.69843(10) 0.33873(10) 0.0417(6) Uani 1 1 d D . .
H3 H 0.3472 0.7062 0.3797 0.05 Uiso 1 1 calc R A .
C4 C 0.26010(11) 0.69883(11) 0.33197(12) 0.0374(7) Uani 1 1 d D A .
O4 O 0.22385(8) 0.71212(9) 0.38181(8) 0.0526(6) Uani 1 1 d D . .
C5 C 0.23424(12) 0.68489(11) 0.26523(12) 0.0382(8) Uani 1 1 d D . .
H5 H 0.1857 0.6828 0.2568 0.046 Uiso 1 1 calc R A .
C6 C 0.27914(12) 0.67484(11) 0.21502(12) 0.0380(7) Uani 1 1 d D A .
H6 H 0.2615 0.6661 0.1707 0.046 Uiso 1 1 calc R . .
C7 C 0.39662(12) 0.66499(12) 0.16680(13) 0.0461(8) Uani 0.5 1 d PDU A 1
H7A H 0.4385 0.6874 0.1714 0.055 Uiso 0.5 1 calc PR A 1
H7B H 0.3731 0.6747 0.1231 0.055 Uiso 0.5 1 calc PR A 1
C8 C 0.4194(3) 0.6059(2) 0.1629(3) 0.0544(19) Uani 0.5 1 d PDU A 1
H8A H 0.45 0.6015 0.1227 0.065 Uiso 0.5 1 calc PR A 1
H8B H 0.4471 0.5975 0.2046 0.065 Uiso 0.5 1 calc PR A 1
C9 C 0.3625(3) 0.5670(2) 0.1574(3) 0.0383(15) Uani 0.5 1 d PDU A 1
H9A H 0.3315 0.5781 0.1192 0.046 Uiso 0.5 1 calc PR A 1
H9B H 0.3353 0.5684 0.2003 0.046 Uiso 0.5 1 calc PR A 1
C10 C 0.3841(3) 0.5089(2) 0.1449(4) 0.060(2) Uani 0.5 1 d PDU A 1
H10A H 0.4077 0.5064 0.0999 0.072 Uiso 0.5 1 calc PR A 1
H10B H 0.4177 0.4981 0.181 0.072 Uiso 0.5 1 calc PR A 1
C11 C 0.3251(4) 0.4719(3) 0.1452(4) 0.075(2) Uani 0.5 1 d PDU A 1
H11A H 0.287 0.4883 0.1183 0.09 Uiso 0.5 1 calc PR A 1
H11B H 0.3089 0.4688 0.1932 0.09 Uiso 0.5 1 calc PR A 1
C12 C 0.3355(4) 0.4165(3) 0.1179(5) 0.095(3) Uani 0.5 1 d PDU A 1
H12A H 0.3749 0.4161 0.0862 0.143 Uiso 0.5 1 calc PR A 1
H12B H 0.2935 0.405 0.0934 0.143 Uiso 0.5 1 calc PR A 1
H12C H 0.3449 0.3923 0.1563 0.143 Uiso 0.5 1 calc PR A 1
C7' C 0.39662(12) 0.66499(12) 0.16680(13) 0.0461(8) Uani 0.5 1 d PU A 2
H7'1 H 0.3719 0.6716 0.1228 0.055 Uiso 0.5 1 calc PR A 2
H7'2 H 0.4369 0.6892 0.1691 0.055 Uiso 0.5 1 calc PR A 2
C8' C 0.4206(3) 0.6117(3) 0.1681(4) 0.054(2) Uani 0.5 1 d PU A 2
H8'1 H 0.4436 0.6045 0.2128 0.065 Uiso 0.5 1 calc PR A 2
H8'2 H 0.4553 0.6066 0.1313 0.065 Uiso 0.5 1 calc PR A 2
C9' C 0.3600(5) 0.5721(4) 0.1573(5) 0.082(3) Uani 0.5 1 d PU A 2
H9'1 H 0.3284 0.5738 0.1972 0.099 Uiso 0.5 1 calc PR A 2
H9'2 H 0.3333 0.582 0.1156 0.099 Uiso 0.5 1 calc PR A 2
C10' C 0.3870(5) 0.5167(4) 0.1497(5) 0.079(3) Uani 0.5 1 d PU A 2
H10C H 0.4078 0.505 0.1938 0.094 Uiso 0.5 1 calc PR A 2
H10D H 0.4238 0.5162 0.1144 0.094 Uiso 0.5 1 calc PR A 2
C11' C 0.3268(5) 0.4766(4) 0.1279(6) 0.095(3) Uani 0.5 1 d PU A 2
H11C H 0.3103 0.4843 0.0806 0.114 Uiso 0.5 1 calc PR A 2
H11D H 0.2871 0.4796 0.1597 0.114 Uiso 0.5 1 calc PR A 2
C12' C 0.3605(5) 0.4180(4) 0.1321(5) 0.091(3) Uani 0.5 1 d PU A 2
H12D H 0.3919 0.416 0.1719 0.136 Uiso 0.5 1 calc PR A 2
H12E H 0.3865 0.4109 0.0899 0.136 Uiso 0.5 1 calc PR A 2
H12F H 0.3236 0.3917 0.137 0.136 Uiso 0.5 1 calc PR A 2
N21 N 0.52690(9) 0.67314(10) 0.59851(10) 0.0442(7) Uani 1 1 d D . .
C22 C 0.46468(12) 0.68762(12) 0.62760(12) 0.0425(8) Uani 1 1 d D B .
O22 O 0.45529(9) 0.69076(9) 0.68925(8) 0.0580(7) Uani 1 1 d D . .
N23 N 0.41327(9) 0.69975(9) 0.58117(9) 0.0403(6) Uani 1 1 d D . .
H23 H 0.373 0.7093 0.5982 0.048 Uiso 1 1 calc R B .
C24 C 0.41840(12) 0.69842(12) 0.51128(12) 0.0392(8) Uani 1 1 d D A .
O24 O 0.36666(8) 0.71088(8) 0.47540(8) 0.0466(6) Uani 1 1 d D . .
C25 C 0.48342(12) 0.68193(12) 0.48462(13) 0.0427(8) Uani 1 1 d D . .
H25 H 0.4905 0.6793 0.4364 0.051 Uiso 1 1 calc R A .
C26 C 0.53466(13) 0.67020(12) 0.52934(12) 0.0457(8) Uani 1 1 d D A .
H26 H 0.5782 0.6594 0.5117 0.055 Uiso 1 1 calc R . .
C27 C 0.58549(13) 0.65895(13) 0.64560(14) 0.0562(9) Uani 0.5 1 d PDU B 3
H27A H 0.6295 0.6644 0.6205 0.067 Uiso 0.5 1 calc PR B 3
H27B H 0.5853 0.6839 0.6849 0.067 Uiso 0.5 1 calc PR B 3
C28 C 0.5854(4) 0.6043(2) 0.6735(3) 0.062(2) Uani 0.5 1 d PDU B 3
H28A H 0.5416 0.5973 0.6982 0.075 Uiso 0.5 1 calc PR B 3
H28B H 0.6246 0.5995 0.7061 0.075 Uiso 0.5 1 calc PR B 3
C29 C 0.5926(4) 0.5665(2) 0.6132(3) 0.080(2) Uani 0.5 1 d PDU B 3
H29A H 0.5512 0.5689 0.583 0.096 Uiso 0.5 1 calc PR B 3
H29B H 0.6339 0.576 0.5858 0.096 Uiso 0.5 1 calc PR B 3
C30 C 0.6000(4) 0.5105(2) 0.6406(4) 0.081(2) Uani 0.5 1 d PDU B 3
H30A H 0.6402 0.5089 0.6726 0.097 Uiso 0.5 1 calc PR B 3
H30B H 0.5579 0.501 0.6668 0.097 Uiso 0.5 1 calc PR B 3
C31 C 0.6103(5) 0.4714(3) 0.5833(4) 0.109(3) Uani 0.5 1 d PDU B 3
H31A H 0.5682 0.4703 0.5538 0.13 Uiso 0.5 1 calc PR B 3
H31B H 0.6498 0.4825 0.5546 0.13 Uiso 0.5 1 calc PR B 3
C32 C 0.6240(5) 0.4177(3) 0.6123(5) 0.128(3) Uani 0.5 1 d PDU B 3
H32A H 0.6662 0.4187 0.6406 0.192 Uiso 0.5 1 calc PR B 3
H32B H 0.63 0.3924 0.5746 0.192 Uiso 0.5 1 calc PR B 3
H32C H 0.5847 0.4067 0.6407 0.192 Uiso 0.5 1 calc PR B 3
C27' C 0.58549(13) 0.65895(13) 0.64560(14) 0.0562(9) Uani 0.5 1 d PDU B 4
H27C H 0.5868 0.6836 0.6852 0.067 Uiso 0.5 1 calc PR B 4
H27D H 0.63 0.6618 0.6208 0.067 Uiso 0.5 1 calc PR B 4
C28' C 0.5754(4) 0.6025(3) 0.6711(4) 0.077(2) Uani 0.5 1 d PDU B 4
H28C H 0.6108 0.5958 0.7072 0.092 Uiso 0.5 1 calc PR B 4
H28D H 0.5296 0.6008 0.6937 0.092 Uiso 0.5 1 calc PR B 4
C29' C 0.5789(5) 0.5573(3) 0.6203(4) 0.083(2) Uani 0.5 1 d PDU B 4
H29C H 0.6246 0.5586 0.5973 0.1 Uiso 0.5 1 calc PR B 4
H29D H 0.543 0.5632 0.5844 0.1 Uiso 0.5 1 calc PR B 4
C30' C 0.5689(5) 0.5014(3) 0.6502(5) 0.112(3) Uani 0.5 1 d PDU B 4
H30C H 0.6052 0.4952 0.6855 0.135 Uiso 0.5 1 calc PR B 4
H30D H 0.5234 0.5001 0.6735 0.135 Uiso 0.5 1 calc PR B 4
C31' C 0.5718(5) 0.4569(4) 0.5975(6) 0.151(3) Uani 0.5 1 d PDU B 4
H31C H 0.544 0.4664 0.5563 0.181 Uiso 0.5 1 calc PR B 4
H31D H 0.5525 0.424 0.6174 0.181 Uiso 0.5 1 calc PR B 4
C32' C 0.6493(5) 0.4483(6) 0.5774(7) 0.189(4) Uani 0.5 1 d PDU B 4
H32D H 0.6739 0.4822 0.579 0.283 Uiso 0.5 1 calc PR B 4
H32E H 0.6516 0.4337 0.5307 0.283 Uiso 0.5 1 calc PR B 4
H32F H 0.6711 0.4235 0.6098 0.283 Uiso 0.5 1 calc PR B 4
Ag2 Ag 0.75 0.741263(14) 0.5 0.04830(10) Uani 1 2 d S . .
N204 N 0.75 0.62503(15) 0.5 0.0498(10) Uani 1 2 d S . .
O206 O 0.80475(9) 0.65159(10) 0.49323(11) 0.0717(8) Uani 1 1 d . . .
O205 O 0.75 0.57691(15) 0.5 0.0852(12) Uani 1 2 d S . .
N41 N 0.47170(9) 0.81520(9) 0.40662(10) 0.0391(6) Uani 1 1 d D . .
C42 C 0.50523(12) 0.80990(12) 0.46909(12) 0.0387(8) Uani 1 1 d D C .
O42 O 0.47753(9) 0.81614(9) 0.52430(9) 0.0516(6) Uani 1 1 d D . .
N43 N 0.57464(9) 0.79687(9) 0.46381(10) 0.0370(6) Uani 1 1 d D . .
H43 H 0.5978 0.7935 0.5028 0.044 Uiso 1 1 calc R C .
C44 C 0.61117(12) 0.78860(11) 0.40507(12) 0.0353(7) Uani 1 1 d D C .
O44 O 0.67356(8) 0.77638(9) 0.40862(9) 0.0503(6) Uani 1 1 d D . .
C45 C 0.57248(12) 0.79418(12) 0.34280(13) 0.0441(8) Uani 1 1 d D . .
H45 H 0.5939 0.7886 0.2995 0.053 Uiso 1 1 calc R C .
C46 C 0.50532(13) 0.80742(12) 0.34628(13) 0.0455(8) Uani 1 1 d D C .
H46 H 0.48 0.8116 0.3045 0.055 Uiso 1 1 calc R . .
C47 C 0.39830(13) 0.83180(12) 0.40594(15) 0.0532(9) Uani 0.5 1 d PDU C 5
H47A H 0.3771 0.8234 0.4509 0.064 Uiso 0.5 1 calc PR C 5
H47B H 0.3728 0.8119 0.3699 0.064 Uiso 0.5 1 calc PR C 5
C48 C 0.3916(3) 0.8922(2) 0.3917(3) 0.0568(19) Uani 0.5 1 d PDU C 5
H48A H 0.41 0.8991 0.3451 0.068 Uiso 0.5 1 calc PR C 5
H48B H 0.3415 0.901 0.3905 0.068 Uiso 0.5 1 calc PR C 5
C49 C 0.4260(4) 0.9292(2) 0.4399(4) 0.076(2) Uani 0.5 1 d PDU C 5
H49A H 0.4747 0.9177 0.4461 0.091 Uiso 0.5 1 calc PR C 5
H49B H 0.403 0.9261 0.4852 0.091 Uiso 0.5 1 calc PR C 5
C50 C 0.4261(3) 0.9886(3) 0.4186(5) 0.082(2) Uani 0.5 1 d PDU C 5
H50A H 0.4586 1.0082 0.449 0.099 Uiso 0.5 1 calc PR C 5
H50B H 0.4433 0.9917 0.3709 0.099 Uiso 0.5 1 calc PR C 5
C51 C 0.3566(4) 1.0134(3) 0.4226(5) 0.099(3) Uani 0.5 1 d PDU C 5
H51A H 0.3393 1.0103 0.4703 0.119 Uiso 0.5 1 calc PR C 5
H51B H 0.3241 0.9939 0.3921 0.119 Uiso 0.5 1 calc PR C 5
C52 C 0.3573(5) 1.0721(3) 0.4017(5) 0.116(3) Uani 0.5 1 d PDU C 5
H52A H 0.3507 1.0942 0.4426 0.174 Uiso 0.5 1 calc PR C 5
H52B H 0.3198 1.0788 0.3686 0.174 Uiso 0.5 1 calc PR C 5
H52C H 0.402 1.0806 0.3805 0.174 Uiso 0.5 1 calc PR C 5
C47' C 0.39830(13) 0.83180(12) 0.40594(15) 0.0532(9) Uani 0.5 1 d PDU C 6
H47C H 0.381 0.8324 0.4538 0.064 Uiso 0.5 1 calc PR C 6
H47D H 0.3707 0.8053 0.38 0.064 Uiso 0.5 1 calc PR C 6
C48' C 0.3873(4) 0.8850(2) 0.3744(3) 0.058(2) Uani 0.5 1 d PDU C 6
H48C H 0.4117 0.8869 0.3298 0.07 Uiso 0.5 1 calc PR C 6
H48D H 0.3372 0.8906 0.3655 0.07 Uiso 0.5 1 calc PR C 6
C49' C 0.4136(4) 0.9271(2) 0.4208(4) 0.064(2) Uani 0.5 1 d PDU C 6
H49C H 0.4648 0.9253 0.4233 0.077 Uiso 0.5 1 calc PR C 6
H49D H 0.3953 0.9214 0.4677 0.077 Uiso 0.5 1 calc PR C 6
C50' C 0.3913(4) 0.9821(2) 0.3948(3) 0.0657(19) Uani 0.5 1 d PDU C 6
H50C H 0.414 0.9891 0.3502 0.079 Uiso 0.5 1 calc PR C 6
H50D H 0.3405 0.982 0.3868 0.079 Uiso 0.5 1 calc PR C 6
C51' C 0.4091(4) 1.0253(3) 0.4434(4) 0.079(2) Uani 0.5 1 d PDU C 6
H51C H 0.4601 1.0268 0.4487 0.094 Uiso 0.5 1 calc PR C 6
H51D H 0.3893 1.0168 0.4889 0.094 Uiso 0.5 1 calc PR C 6
C52' C 0.3831(4) 1.0797(3) 0.4214(5) 0.093(3) Uani 0.5 1 d PDU C 6
H52D H 0.4135 1.1071 0.441 0.14 Uiso 0.5 1 calc PR C 6
H52E H 0.3358 1.0849 0.438 0.14 Uiso 0.5 1 calc PR C 6
H52F H 0.3835 1.0822 0.3711 0.14 Uiso 0.5 1 calc PR C 6
N61 N 0.84305(10) 0.82502(9) 0.22762(10) 0.0427(6) Uani 1 1 d D . .
C62 C 0.78036(13) 0.81509(11) 0.25929(12) 0.0385(7) Uani 1 1 d D D .
O62 O 0.72477(9) 0.81961(9) 0.22997(10) 0.0561(6) Uani 1 1 d D . .
N63 N 0.78559(9) 0.79862(9) 0.32608(9) 0.0366(6) Uani 1 1 d D . .
H63 H 0.7463 0.7926 0.3476 0.044 Uiso 1 1 calc R D .
C64 C 0.84515(12) 0.79050(11) 0.36320(12) 0.0388(7) Uani 1 1 d D C .
O64 O 0.84186(8) 0.77493(9) 0.42375(9) 0.0521(6) Uani 1 1 d D . .
C65 C 0.90788(12) 0.80135(13) 0.32726(14) 0.0486(9) Uani 1 1 d D . .
H65 H 0.9515 0.7967 0.3494 0.058 Uiso 1 1 calc R C .
C66 C 0.90444(13) 0.81798(12) 0.26275(13) 0.0468(8) Uani 1 1 d D C .
H66 H 0.9465 0.8254 0.2396 0.056 Uiso 1 1 calc R . .
C67 C 0.84373(16) 0.84477(13) 0.15700(14) 0.0605(9) Uani 0.7 1 d PDU D 7
H67A H 0.7998 0.8342 0.1343 0.073 Uiso 0.7 1 calc PR D 7
H67B H 0.882 0.8271 0.1322 0.073 Uiso 0.7 1 calc PR D 7
C68 C 0.8521(3) 0.9029(2) 0.1491(3) 0.100(2) Uani 0.7 1 d PDU D 7
H68A H 0.9027 0.9097 0.1514 0.121 Uiso 0.7 1 calc PR D 7
H68B H 0.8374 0.9112 0.1014 0.121 Uiso 0.7 1 calc PR D 7
C69 C 0.8209(4) 0.9420(3) 0.1915(4) 0.158(3) Uani 0.7 1 d PDU D 7
H69A H 0.8219 0.9289 0.2395 0.19 Uiso 0.7 1 calc PR D 7
H69B H 0.7715 0.9451 0.1776 0.19 Uiso 0.7 1 calc PR D 7
C70 C 0.8533(5) 0.9990(3) 0.1909(4) 0.149(3) Uani 0.7 1 d PDU D 7
H70A H 0.8242 1.0231 0.2186 0.179 Uiso 0.7 1 calc PR D 7
H70B H 0.9001 0.9978 0.2122 0.179 Uiso 0.7 1 calc PR D 7
C71 C 0.8586(5) 1.0196(3) 0.1204(4) 0.155(3) Uani 0.7 1 d PDU D 7
H71A H 0.8989 1.0033 0.0973 0.186 Uiso 0.7 1 calc PR D 7
H71B H 0.8163 1.0099 0.094 0.186 Uiso 0.7 1 calc PR D 7
C72 C 0.8664(4) 1.0772(3) 0.1208(5) 0.147(3) Uani 0.7 1 d PDU D 7
H72A H 0.8366 1.0928 0.0851 0.22 Uiso 0.7 1 calc PR D 7
H72B H 0.9149 1.0864 0.1117 0.22 Uiso 0.7 1 calc PR D 7
H72C H 0.8531 1.0911 0.1659 0.22 Uiso 0.7 1 calc PR D 7
C67' C 0.84373(16) 0.84477(13) 0.15700(14) 0.0605(9) Uani 0.3 1 d PDU D 8
H67C H 0.7967 0.8428 0.1364 0.073 Uiso 0.3 1 calc PR D 8
H67D H 0.8757 0.8235 0.1285 0.073 Uiso 0.3 1 calc PR D 8
C68' C 0.8691(4) 0.9044(3) 0.1609(6) 0.055(2) Uani 0.3 1 d PDU D 8
H68C H 0.9035 0.9096 0.1984 0.066 Uiso 0.3 1 calc PR D 8
H68D H 0.8894 0.9161 0.1168 0.066 Uiso 0.3 1 calc PR D 8
C69' C 0.8022(4) 0.9328(3) 0.1757(5) 0.046(2) Uani 0.3 1 d PDU D 8
H69C H 0.7829 0.9201 0.2198 0.056 Uiso 0.3 1 calc PR D 8
H69D H 0.7679 0.9254 0.1388 0.056 Uiso 0.3 1 calc PR D 8
C70' C 0.8161(6) 0.9947(3) 0.1800(5) 0.067(3) Uani 0.3 1 d PDU D 8
H70C H 0.7782 1.0116 0.2062 0.081 Uiso 0.3 1 calc PR D 8
H70D H 0.86 1.0009 0.2054 0.081 Uiso 0.3 1 calc PR D 8
C71' C 0.8205(9) 1.0194(4) 0.1117(6) 0.101(3) Uani 0.3 1 d PDU D 8
H71C H 0.7815 1.0065 0.0828 0.121 Uiso 0.3 1 calc PR D 8
H71D H 0.8642 1.008 0.0896 0.121 Uiso 0.3 1 calc PR D 8
C72' C 0.8185(9) 1.0783(4) 0.1134(9) 0.128(4) Uani 0.3 1 d PDU D 8
H72D H 0.7701 1.0903 0.1128 0.193 Uiso 0.3 1 calc PR D 8
H72E H 0.8425 1.0924 0.073 0.193 Uiso 0.3 1 calc PR D 8
H72F H 0.8415 1.091 0.1554 0.193 Uiso 0.3 1 calc PR D 8

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
Ag1 0.03660(15) 0.0777(3) 0.02764(15) 0 -0.00022(12) 0
N101 0.0234(14) 0.070(2) 0.0350(17) 0 -0.0005(13) 0
O102 0.071(2) 0.067(2) 0.077(2) 0 0.0042(17) 0
O103 0.0629(12) 0.0863(16) 0.0315(10) -0.0061(11) -0.0115(9) -0.0019(12)
N1 0.0233(10) 0.0674(16) 0.0222(10) -0.0007(11) 0.0032(8) -0.0051(10)
C2 0.0240(12) 0.075(2) 0.0276(13) 0.0012(14) 0.0018(11) -0.0091(13)
O2 0.0244(9) 0.1162(19) 0.0363(10) -0.0078(11) 0.0004(8) -0.0093(11)
N3 0.0264(10) 0.0775(17) 0.0211(10) -0.0043(11) -0.0014(8) -0.0035(11)
C4 0.0264(12) 0.0562(18) 0.0296(13) 0.0012(13) 0.0028(10) -0.0005(13)
O4 0.0284(9) 0.1004(17) 0.0290(9) -0.0110(11) 0.0034(8) 0.0008(10)
C5 0.0223(12) 0.060(2) 0.0319(13) -0.0040(13) -0.0049(10) -0.0008(12)
C6 0.0307(13) 0.0560(18) 0.0272(13) 0.0001(13) -0.0041(11) -0.0023(13)
C7 0.0307(13) 0.0776(19) 0.0301(14) 0.0003(14) 0.0042(11) -0.0032(13)
C8 0.041(3) 0.077(4) 0.046(3) -0.007(3) 0.020(3) 0.005(3)
C9 0.030(3) 0.057(3) 0.028(3) 0.007(3) 0.002(2) 0.017(2)
C10 0.068(4) 0.058(3) 0.055(4) -0.003(3) 0.003(3) 0.025(3)
C11 0.081(4) 0.066(4) 0.078(4) 0.014(4) 0.022(4) 0.008(3)
C12 0.098(5) 0.071(4) 0.116(5) 0.008(4) -0.019(4) 0.009(4)
C7' 0.0307(13) 0.0776(19) 0.0301(14) 0.0003(14) 0.0042(11) -0.0032(13)
C8' 0.043(4) 0.088(4) 0.031(3) 0.000(3) -0.005(3) 0.008(3)
C9' 0.078(5) 0.081(4) 0.088(5) -0.006(4) -0.004(4) 0.003(4)
C10' 0.089(5) 0.079(4) 0.068(5) -0.004(4) 0.012(4) 0.013(4)
C11' 0.100(5) 0.079(4) 0.106(6) -0.007(4) 0.023(4) 0.006(4)
C12' 0.103(5) 0.077(4) 0.092(5) -0.007(4) -0.002(4) 0.008(4)
N21 0.0262(10) 0.0778(18) 0.0285(11) -0.0019(12) -0.0085(9) -0.0019(11)
C22 0.0332(13) 0.069(2) 0.0251(13) 0.0006(14) -0.0037(11) -0.0073(14)
O22 0.0446(10) 0.1047(18) 0.0246(10) -0.0026(11) -0.0035(8) 0.0022(11)
N23 0.0250(10) 0.0701(16) 0.0257(11) -0.0001(11) -0.0017(9) -0.0027(11)
C24 0.0304(13) 0.0609(19) 0.0261(13) -0.0016(13) -0.0027(11) -0.0088(13)
O24 0.0318(9) 0.0820(15) 0.0260(9) -0.0007(10) -0.0029(7) -0.0025(10)
C25 0.0363(14) 0.066(2) 0.0260(13) 0.0004(13) 0.0009(11) -0.0017(13)
C26 0.0311(14) 0.076(2) 0.0304(14) -0.0031(15) 0.0013(12) -0.0013(14)
C27 0.0342(14) 0.094(2) 0.0404(15) -0.0010(16) -0.0161(12) 0.0019(15)
C28 0.048(3) 0.091(4) 0.048(3) -0.001(3) -0.011(3) 0.001(3)
C29 0.084(5) 0.092(4) 0.063(4) 0.002(3) -0.015(4) 0.013(4)
C30 0.086(5) 0.086(4) 0.070(4) 0.002(3) -0.023(4) 0.000(4)
C31 0.112(5) 0.100(4) 0.115(5) -0.004(4) 0.000(5) 0.018(5)
C32 0.165(6) 0.098(4) 0.121(6) 0.001(4) -0.011(5) 0.010(5)
C27' 0.0342(14) 0.094(2) 0.0404(15) -0.0010(16) -0.0161(12) 0.0019(15)
C28' 0.060(4) 0.099(4) 0.070(4) 0.002(3) -0.035(4) 0.023(4)
C29' 0.079(5) 0.097(4) 0.073(5) -0.001(4) -0.004(4) 0.005(4)
C30' 0.109(6) 0.105(4) 0.123(6) 0.010(4) -0.014(5) -0.010(4)
C31' 0.174(6) 0.128(5) 0.152(7) -0.010(5) 0.016(6) -0.013(6)
C32' 0.194(6) 0.182(8) 0.191(8) -0.017(6) 0.027(6) 0.011(6)
Ag2 0.03045(15) 0.0762(2) 0.03821(16) 0 0.00095(13) 0
N204 0.0386(17) 0.079(3) 0.0319(17) 0 -0.0032(14) 0
O206 0.0307(10) 0.1073(19) 0.0774(15) -0.0009(14) 0.0098(10) -0.0059(12)
O205 0.099(3) 0.070(3) 0.087(2) 0 -0.007(2) 0
N41 0.0233(10) 0.0604(16) 0.0336(11) 0.0013(11) -0.0040(9) 0.0002(10)
C42 0.0271(12) 0.0590(19) 0.0300(13) -0.0031(14) -0.0042(11) -0.0055(13)
O42 0.0331(9) 0.0872(16) 0.0347(10) -0.0050(11) 0.0052(8) 0.0058(10)
N43 0.0226(10) 0.0641(16) 0.0243(10) -0.0025(11) -0.0048(8) -0.0001(10)
C44 0.0277(12) 0.0432(17) 0.0349(14) 0.0031(13) 0.0004(11) -0.0054(12)
O44 0.0266(9) 0.0816(15) 0.0428(11) 0.0066(11) 0.0027(8) 0.0045(10)
C45 0.0429(15) 0.062(2) 0.0276(14) -0.0042(14) 0.0018(12) 0.0050(14)
C46 0.0470(15) 0.062(2) 0.0273(13) 0.0013(14) -0.0096(12) 0.0002(15)
C47 0.0294(14) 0.0730(19) 0.0571(17) 0.0072(16) -0.0071(13) 0.0018(14)
C48 0.049(3) 0.075(3) 0.047(3) 0.007(3) 0.006(3) 0.016(3)
C49 0.072(4) 0.076(4) 0.079(4) -0.004(3) -0.002(4) 0.008(3)
C50 0.062(4) 0.085(4) 0.099(5) -0.003(4) -0.011(4) -0.004(3)
C51 0.085(4) 0.089(4) 0.123(6) 0.004(4) 0.003(4) 0.017(4)
C52 0.116(6) 0.092(4) 0.139(6) 0.012(5) -0.022(5) 0.006(4)
C47' 0.0294(14) 0.0730(19) 0.0571(17) 0.0072(16) -0.0071(13) 0.0018(14)
C48' 0.051(4) 0.076(4) 0.049(4) 0.004(3) -0.008(3) 0.010(3)
C49' 0.054(4) 0.069(3) 0.070(4) -0.002(3) 0.013(3) 0.008(3)
C50' 0.059(4) 0.073(3) 0.065(4) -0.009(3) -0.014(3) 0.004(3)
C51' 0.084(4) 0.070(3) 0.082(4) -0.002(3) -0.014(4) -0.008(4)
C52' 0.099(5) 0.075(4) 0.105(5) 0.000(4) -0.030(4) 0.004(4)
N61 0.0397(12) 0.0595(16) 0.0288(11) 0.0025(11) 0.0026(10) -0.0058(11)
C62 0.0342(13) 0.0483(18) 0.0330(14) -0.0071(13) -0.0025(11) -0.0001(13)
O62 0.0364(10) 0.0811(16) 0.0505(11) 0.0070(11) -0.0172(9) -0.0051(10)
N63 0.0207(10) 0.0606(15) 0.0286(11) -0.0044(11) 0.0003(8) -0.0003(10)
C64 0.0285(13) 0.0556(19) 0.0323(14) -0.0046(13) -0.0044(11) -0.0051(13)
O64 0.0317(9) 0.0925(16) 0.0320(10) 0.0082(11) -0.0050(8) -0.0054(10)
C65 0.0205(12) 0.076(2) 0.0491(17) 0.0049(16) -0.0003(12) -0.0005(14)
C66 0.0308(13) 0.067(2) 0.0424(16) -0.0052(15) 0.0089(12) -0.0037(14)
C67 0.0698(19) 0.074(2) 0.0382(16) 0.0052(16) 0.0057(14) -0.0064(17)
C68 0.147(5) 0.093(3) 0.061(3) 0.012(3) -0.034(3) -0.017(3)
C69 0.215(6) 0.116(4) 0.144(5) 0.010(4) 0.025(5) 0.007(4)
C70 0.185(6) 0.128(4) 0.135(5) 0.006(4) 0.004(5) -0.023(4)
C71 0.171(6) 0.129(4) 0.165(5) 0.044(4) -0.012(5) -0.012(5)
C72 0.141(5) 0.113(4) 0.187(6) 0.004(4) 0.004(5) -0.003(4)
C67' 0.0698(19) 0.074(2) 0.0382(16) 0.0052(16) 0.0057(14) -0.0064(17)
C68' 0.056(4) 0.068(4) 0.040(4) 0.030(4) 0.022(4) 0.010(3)
C69' 0.034(4) 0.070(4) 0.035(4) 0.010(3) 0.006(3) -0.002(3)
C70' 0.065(6) 0.065(4) 0.072(5) -0.011(4) 0.010(5) -0.003(4)
C71' 0.110(6) 0.093(4) 0.100(5) 0.014(4) -0.004(5) -0.006(5)
C72' 0.147(8) 0.102(5) 0.137(8) 0.018(5) -0.006(7) 0.009(6)

#----------------------------------------------------------------------------#
# MOLECULAR GEOMETRY #
#----------------------------------------------------------------------------#

_geom_special_details            
;
All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell s.u.'s are taken
into account individually in the estimation of s.u.'s in distances, angles
and torsion angles; correlations between s.u.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes.
;
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 O24 2.4570(17) . ?
Ag1 O24 2.4570(17) 2_556 ?
Ag1 O4 2.4890(17) . ?
Ag1 O4 2.4890(17) 2_556 ?
Ag1 O103 2.500(2) 2_556 ?
Ag1 O103 2.500(2) . ?
N101 O102 1.232(5) . ?
N101 O103 1.252(3) . ?
N101 O103 1.252(3) 2_556 ?
N1 C6 1.371(3) . ?
N1 C2 1.379(3) . ?
N1 C7 1.476(3) . ?
C2 O2 1.222(3) . ?
C2 N3 1.371(3) . ?
N3 C4 1.361(3) . ?
N3 H3 0.88 . ?
C4 O4 1.244(3) . ?
C4 C5 1.430(3) . ?
C5 C6 1.333(3) . ?
C5 H5 0.95 . ?
C6 H6 0.95 . ?
C7 C8 1.559(6) . ?
C7 H7A 0.99 . ?
C7 H7B 0.99 . ?
C8 C9 1.474(7) . ?
C8 H8A 0.99 . ?
C8 H8B 0.99 . ?
C9 C10 1.545(7) . ?
C9 H9A 0.99 . ?
C9 H9B 0.99 . ?
C10 C11 1.472(8) . ?
C10 H10A 0.99 . ?
C10 H10B 0.99 . ?
C11 C12 1.510(9) . ?
C11 H11A 0.99 . ?
C11 H11B 0.99 . ?
C12 H12A 0.98 . ?
C12 H12B 0.98 . ?
C12 H12C 0.98 . ?
C8' C9' 1.551(11) . ?
C8' H8'1 0.99 . ?
C8' H8'2 0.99 . ?
C9' C10' 1.501(13) . ?
C9' H9'1 0.99 . ?
C9' H9'2 0.99 . ?
C10' C11' 1.595(13) . ?
C10' H10C 0.99 . ?
C10' H10D 0.99 . ?
C11' C12' 1.620(13) . ?
C11' H11C 0.99 . ?
C11' H11D 0.99 . ?
C12' H12D 0.98 . ?
C12' H12E 0.98 . ?
C12' H12F 0.98 . ?
N21 C26 1.355(3) . ?
N21 C22 1.379(3) . ?
N21 C27 1.492(3) . ?
C22 O22 1.215(3) . ?
C22 N23 1.370(3) . ?
N23 C24 1.363(3) . ?
N23 H23 0.88 . ?
C24 O24 1.253(3) . ?
C24 C25 1.422(3) . ?
C25 C26 1.344(3) . ?
C25 H25 0.95 . ?
C26 H26 0.95 . ?
C27 C28 1.484(7) . ?
C27 H27A 0.99 . ?
C27 H27B 0.99 . ?
C28 C29 1.518(8) . ?
C28 H28A 0.99 . ?
C28 H28B 0.99 . ?
C29 C30 1.518(8) . ?
C29 H29A 0.99 . ?
C29 H29B 0.99 . ?
C30 C31 1.504(9) . ?
C30 H30A 0.99 . ?
C30 H30B 0.99 . ?
C31 C32 1.490(10) . ?
C31 H31A 0.99 . ?
C31 H31B 0.99 . ?
C32 H32A 0.98 . ?
C32 H32B 0.98 . ?
C32 H32C 0.98 . ?
C28' C29' 1.511(9) . ?
C28' H28C 0.99 . ?
C28' H28D 0.99 . ?
C29' C30' 1.540(9) . ?
C29' H29C 0.99 . ?
C29' H29D 0.99 . ?
C30' C31' 1.522(10) . ?
C30' H30C 0.99 . ?
C30' H30D 0.99 . ?
C31' C32' 1.563(11) . ?
C31' H31C 0.99 . ?
C31' H31D 0.99 . ?
C32' H32D 0.98 . ?
C32' H32E 0.98 . ?
C32' H32F 0.98 . ?
Ag2 O44 2.4649(17) 2_656 ?
Ag2 O44 2.4649(17) . ?
Ag2 O64 2.4680(18) . ?
Ag2 O64 2.4680(18) 2_656 ?
Ag2 O206 2.503(3) . ?
Ag2 O206 2.503(3) 2_656 ?
N204 O205 1.215(5) . ?
N204 O206 1.258(3) 2_656 ?
N204 O206 1.258(3) . ?
N41 C46 1.358(3) . ?
N41 C42 1.378(3) . ?
N41 C47 1.476(3) . ?
C42 O42 1.212(3) . ?
C42 N43 1.383(3) . ?
N43 C44 1.361(3) . ?
N43 H43 0.88 . ?
C44 O44 1.243(3) . ?
C44 C45 1.424(3) . ?
C45 C46 1.339(3) . ?
C45 H45 0.95 . ?
C46 H46 0.95 . ?
C47 C48 1.555(6) . ?
C47 H47A 0.99 . ?
C47 H47B 0.99 . ?
C48 C49 1.477(8) . ?
C48 H48A 0.99 . ?
C48 H48B 0.99 . ?
C49 C50 1.557(8) . ?
C49 H49A 0.99 . ?
C49 H49B 0.99 . ?
C50 C51 1.482(8) . ?
C50 H50A 0.99 . ?
C50 H50B 0.99 . ?
C51 C52 1.538(9) . ?
C51 H51A 0.99 . ?
C51 H51B 0.99 . ?
C52 H52A 0.98 . ?
C52 H52B 0.98 . ?
C52 H52C 0.98 . ?
C48' C49' 1.482(8) . ?
C48' H48C 0.99 . ?
C48' H48D 0.99 . ?
C49' C50' 1.537(8) . ?
C49' H49C 0.99 . ?
C49' H49D 0.99 . ?
C50' C51' 1.482(8) . ?
C50' H50C 0.99 . ?
C50' H50D 0.99 . ?
C51' C52' 1.523(9) . ?
C51' H51C 0.99 . ?
C51' H51D 0.99 . ?
C52' H52D 0.98 . ?
C52' H52E 0.98 . ?
C52' H52F 0.98 . ?
N61 C66 1.374(3) . ?
N61 C62 1.383(3) . ?
N61 C67 1.460(3) . ?
C62 O62 1.216(3) . ?
C62 N63 1.366(3) . ?
N63 C64 1.367(3) . ?
N63 H63 0.88 . ?
C64 O64 1.243(3) . ?
C64 C65 1.427(3) . ?
C65 C66 1.323(4) . ?
C65 H65 0.95 . ?
C66 H66 0.95 . ?
C67 C68 1.485(6) . ?
C67 H67A 0.99 . ?
C67 H67B 0.99 . ?
C68 C69 1.421(8) . ?
C68 H68A 0.99 . ?
C68 H68B 0.99 . ?
C69 C70 1.570(8) . ?
C69 H69A 0.99 . ?
C69 H69B 0.99 . ?
C70 C71 1.469(9) . ?
C70 H70A 0.99 . ?
C70 H70B 0.99 . ?
C71 C72 1.464(9) . ?
C71 H71A 0.99 . ?
C71 H71B 0.99 . ?
C72 H72A 0.98 . ?
C72 H72B 0.98 . ?
C72 H72C 0.98 . ?
C68' C69' 1.507(10) . ?
C68' H68C 0.99 . ?
C68' H68D 0.99 . ?
C69' C70' 1.587(10) . ?
C69' H69C 0.99 . ?
C69' H69D 0.99 . ?
C70' C71' 1.471(11) . ?
C70' H70C 0.99 . ?
C70' H70D 0.99 . ?
C71' C72' 1.488(12) . ?
C71' H71C 0.99 . ?
C71' H71D 0.99 . ?
C72' H72D 0.98 . ?
C72' H72E 0.98 . ?
C72' H72F 0.98 . ?

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
O24 Ag1 O24 139.14(10) . 2_556 ?
O24 Ag1 O4 83.37(5) . . ?
O24 Ag1 O4 83.32(5) 2_556 . ?
O24 Ag1 O4 83.32(5) . 2_556 ?
O24 Ag1 O4 83.37(5) 2_556 2_556 ?
O4 Ag1 O4 141.22(10) . 2_556 ?
O24 Ag1 O103 107.12(6) . 2_556 ?
O24 Ag1 O103 109.73(6) 2_556 2_556 ?
O4 Ag1 O103 134.50(7) . 2_556 ?
O4 Ag1 O103 84.27(7) 2_556 2_556 ?
O24 Ag1 O103 109.73(6) . . ?
O24 Ag1 O103 107.12(6) 2_556 . ?
O4 Ag1 O103 84.27(7) . . ?
O4 Ag1 O103 134.50(7) 2_556 . ?
O103 Ag1 O103 50.31(8) 2_556 . ?
O102 N101 O103 121.90(17) . . ?
O102 N101 O103 121.90(17) . 2_556 ?
O103 N101 O103 116.2(3) . 2_556 ?
N101 O103 Ag1 96.75(18) . . ?
C6 N1 C2 120.77(19) . . ?
C6 N1 C7 120.27(19) . . ?
C2 N1 C7 118.93(18) . . ?
O2 C2 N3 121.9(2) . . ?
O2 C2 N1 123.1(2) . . ?
N3 C2 N1 114.93(19) . . ?
C4 N3 C2 126.9(2) . . ?
C4 N3 H3 116.5 . . ?
C2 N3 H3 116.5 . . ?
O4 C4 N3 119.4(2) . . ?
O4 C4 C5 125.3(2) . . ?
N3 C4 C5 115.2(2) . . ?
C4 O4 Ag1 134.13(15) . . ?
C6 C5 C4 119.1(2) . . ?
C6 C5 H5 120.4 . . ?
C4 C5 H5 120.4 . . ?
C5 C6 N1 122.9(2) . . ?
C5 C6 H6 118.5 . . ?
N1 C6 H6 118.5 . . ?
N1 C7 C8 113.5(3) . . ?
N1 C7 H7A 108.9 . . ?
C8 C7 H7A 108.9 . . ?
N1 C7 H7B 108.9 . . ?
C8 C7 H7B 108.9 . . ?
H7A C7 H7B 107.7 . . ?
C9 C8 C7 115.6(4) . . ?
C9 C8 H8A 108.4 . . ?
C7 C8 H8A 108.4 . . ?
C9 C8 H8B 108.4 . . ?
C7 C8 H8B 108.4 . . ?
H8A C8 H8B 107.4 . . ?
C8 C9 C10 116.3(5) . . ?
C8 C9 H9A 108.2 . . ?
C10 C9 H9A 108.2 . . ?
C8 C9 H9B 108.2 . . ?
C10 C9 H9B 108.2 . . ?
H9A C9 H9B 107.4 . . ?
C11 C10 C9 113.3(5) . . ?
C11 C10 H10A 108.9 . . ?
C9 C10 H10A 108.9 . . ?
C11 C10 H10B 108.9 . . ?
C9 C10 H10B 108.9 . . ?
H10A C10 H10B 107.7 . . ?
C10 C11 C12 118.9(6) . . ?
C10 C11 H11A 107.6 . . ?
C12 C11 H11A 107.6 . . ?
C10 C11 H11B 107.6 . . ?
C12 C11 H11B 107.6 . . ?
H11A C11 H11B 107 . . ?
C9' C8' H8'1 109.4 . . ?
C9' C8' H8'2 109.4 . . ?
H8'1 C8' H8'2 108 . . ?
C10' C9' C8' 110.7(7) . . ?
C10' C9' H9'1 109.5 . . ?
C8' C9' H9'1 109.5 . . ?
C10' C9' H9'2 109.5 . . ?
C8' C9' H9'2 109.5 . . ?
H9'1 C9' H9'2 108.1 . . ?
C9' C10' C11' 111.4(8) . . ?
C9' C10' H10C 109.3 . . ?
C11' C10' H10C 109.3 . . ?
C9' C10' H10D 109.3 . . ?
C11' C10' H10D 109.3 . . ?
H10C C10' H10D 108 . . ?
C10' C11' C12' 106.0(7) . . ?
C10' C11' H11C 110.5 . . ?
C12' C11' H11C 110.5 . . ?
C10' C11' H11D 110.5 . . ?
C12' C11' H11D 110.5 . . ?
H11C C11' H11D 108.7 . . ?
C11' C12' H12D 109.5 . . ?
C11' C12' H12E 109.5 . . ?
H12D C12' H12E 109.5 . . ?
C11' C12' H12F 109.5 . . ?
H12D C12' H12F 109.5 . . ?
H12E C12' H12F 109.5 . . ?
C26 N21 C22 121.5(2) . . ?
C26 N21 C27 120.4(2) . . ?
C22 N21 C27 117.99(19) . . ?
O22 C22 N23 121.5(2) . . ?
O22 C22 N21 123.9(2) . . ?
N23 C22 N21 114.6(2) . . ?
C24 N23 C22 126.4(2) . . ?
C24 N23 H23 116.8 . . ?
C22 N23 H23 116.8 . . ?
O24 C24 N23 119.0(2) . . ?
O24 C24 C25 124.8(2) . . ?
N23 C24 C25 116.1(2) . . ?
C24 O24 Ag1 134.88(15) . . ?
C26 C25 C24 118.4(2) . . ?
C26 C25 H25 120.8 . . ?
C24 C25 H25 120.8 . . ?
C25 C26 N21 122.9(2) . . ?
C25 C26 H26 118.5 . . ?
N21 C26 H26 118.5 . . ?
C28 C27 N21 116.4(3) . . ?
C28 C27 H27A 108.2 . . ?
N21 C27 H27A 108.2 . . ?
C28 C27 H27B 108.2 . . ?
N21 C27 H27B 108.2 . . ?
H27A C27 H27B 107.3 . . ?
C27 C28 C29 107.7(5) . . ?
C27 C28 H28A 110.2 . . ?
C29 C28 H28A 110.2 . . ?
C27 C28 H28B 110.2 . . ?
C29 C28 H28B 110.2 . . ?
H28A C28 H28B 108.5 . . ?
C30 C29 C28 108.9(5) . . ?
C30 C29 H29A 109.9 . . ?
C28 C29 H29A 109.9 . . ?
C30 C29 H29B 109.9 . . ?
C28 C29 H29B 109.9 . . ?
H29A C29 H29B 108.3 . . ?
C31 C30 C29 111.4(6) . . ?
C31 C30 H30A 109.3 . . ?
C29 C30 H30A 109.3 . . ?
C31 C30 H30B 109.3 . . ?
C29 C30 H30B 109.3 . . ?
H30A C30 H30B 108 . . ?
C32 C31 C30 110.1(7) . . ?
C32 C31 H31A 109.6 . . ?
C30 C31 H31A 109.6 . . ?
C32 C31 H31B 109.6 . . ?
C30 C31 H31B 109.6 . . ?
H31A C31 H31B 108.2 . . ?
C29' C28' H28C 107.5 . . ?
C29' C28' H28D 107.5 . . ?
H28C C28' H28D 107 . . ?
C28' C29' C30' 116.0(7) . . ?
C28' C29' H29C 108.3 . . ?
C30' C29' H29C 108.3 . . ?
C28' C29' H29D 108.3 . . ?
C30' C29' H29D 108.3 . . ?
H29C C29' H29D 107.4 . . ?
C31' C30' C29' 114.8(8) . . ?
C31' C30' H30C 108.6 . . ?
C29' C30' H30C 108.6 . . ?
C31' C30' H30D 108.6 . . ?
C29' C30' H30D 108.6 . . ?
H30C C30' H30D 107.6 . . ?
C30' C31' C32' 108.1(8) . . ?
C30' C31' H31C 110.1 . . ?
C32' C31' H31C 110.1 . . ?
C30' C31' H31D 110.1 . . ?
C32' C31' H31D 110.1 . . ?
H31C C31' H31D 108.4 . . ?
O44 Ag2 O44 137.81(10) 2_656 . ?
O44 Ag2 O64 83.13(6) 2_656 . ?
O44 Ag2 O64 82.62(6) . . ?
O44 Ag2 O64 82.62(6) 2_656 2_656 ?
O44 Ag2 O64 83.13(6) . 2_656 ?
O64 Ag2 O64 139.68(10) . 2_656 ?
O44 Ag2 O206 96.51(7) 2_656 . ?
O44 Ag2 O206 122.56(7) . . ?
O64 Ag2 O206 88.61(7) . . ?
O64 Ag2 O206 130.40(7) 2_656 . ?
O44 Ag2 O206 122.56(7) 2_656 2_656 ?
O44 Ag2 O206 96.51(7) . 2_656 ?
O64 Ag2 O206 130.40(7) . 2_656 ?
O64 Ag2 O206 88.61(7) 2_656 2_656 ?
O206 Ag2 O206 50.34(9) . 2_656 ?
O205 N204 O206 122.23(19) . 2_656 ?
O205 N204 O206 122.23(19) . . ?
O206 N204 O206 115.5(4) 2_656 . ?
N204 O206 Ag2 97.06(19) . . ?
C46 N41 C42 121.5(2) . . ?
C46 N41 C47 119.8(2) . . ?
C42 N41 C47 118.7(2) . . ?
O42 C42 N41 124.1(2) . . ?
O42 C42 N43 121.9(2) . . ?
N41 C42 N43 114.0(2) . . ?
C44 N43 C42 127.25(19) . . ?
C44 N43 H43 116.4 . . ?
C42 N43 H43 116.4 . . ?
O44 C44 N43 119.8(2) . . ?
O44 C44 C45 124.9(2) . . ?
N43 C44 C45 115.2(2) . . ?
C44 O44 Ag2 134.65(16) . . ?
C46 C45 C44 118.9(2) . . ?
C46 C45 H45 120.6 . . ?
C44 C45 H45 120.6 . . ?
C45 C46 N41 123.2(2) . . ?
C45 C46 H46 118.4 . . ?
N41 C46 H46 118.4 . . ?
N41 C47 C48 111.1(3) . . ?
N41 C47 H47A 109.4 . . ?
C48 C47 H47A 109.4 . . ?
N41 C47 H47B 109.4 . . ?
C48 C47 H47B 109.4 . . ?
H47A C47 H47B 108 . . ?
C49 C48 C47 118.1(5) . . ?
C49 C48 H48A 107.8 . . ?
C47 C48 H48A 107.8 . . ?
C49 C48 H48B 107.8 . . ?
C47 C48 H48B 107.8 . . ?
H48A C48 H48B 107.1 . . ?
C48 C49 C50 116.3(6) . . ?
C48 C49 H49A 108.2 . . ?
C50 C49 H49A 108.2 . . ?
C48 C49 H49B 108.2 . . ?
C50 C49 H49B 108.2 . . ?
H49A C49 H49B 107.4 . . ?
C51 C50 C49 112.9(6) . . ?
C51 C50 H50A 109 . . ?
C49 C50 H50A 109 . . ?
C51 C50 H50B 109 . . ?
C49 C50 H50B 109 . . ?
H50A C50 H50B 107.8 . . ?
C50 C51 C52 112.5(6) . . ?
C50 C51 H51A 109.1 . . ?
C52 C51 H51A 109.1 . . ?
C50 C51 H51B 109.1 . . ?
C52 C51 H51B 109.1 . . ?
H51A C51 H51B 107.8 . . ?
C49' C48' H48C 109.6 . . ?
C49' C48' H48D 109.6 . . ?
H48C C48' H48D 108.1 . . ?
C48' C49' C50' 110.7(6) . . ?
C48' C49' H49C 109.5 . . ?
C50' C49' H49C 109.5 . . ?
C48' C49' H49D 109.5 . . ?
C50' C49' H49D 109.5 . . ?
H49C C49' H49D 108.1 . . ?
C51' C50' C49' 113.2(6) . . ?
C51' C50' H50C 108.9 . . ?
C49' C50' H50C 108.9 . . ?
C51' C50' H50D 108.9 . . ?
C49' C50' H50D 108.9 . . ?
H50C C50' H50D 107.8 . . ?
C50' C51' C52' 114.4(6) . . ?
C50' C51' H51C 108.7 . . ?
C52' C51' H51C 108.7 . . ?
C50' C51' H51D 108.7 . . ?
C52' C51' H51D 108.7 . . ?
H51C C51' H51D 107.6 . . ?
C66 N61 C62 120.5(2) . . ?
C66 N61 C67 119.9(2) . . ?
C62 N61 C67 119.6(2) . . ?
O62 C62 N63 122.2(2) . . ?
O62 C62 N61 123.0(2) . . ?
N63 C62 N61 114.8(2) . . ?
C62 N63 C64 127.1(2) . . ?
C62 N63 H63 116.5 . . ?
C64 N63 H63 116.5 . . ?
O64 C64 N63 119.9(2) . . ?
O64 C64 C65 125.0(2) . . ?
N63 C64 C65 115.1(2) . . ?
C64 O64 Ag2 135.97(15) . . ?
C66 C65 C64 119.2(2) . . ?
C66 C65 H65 120.4 . . ?
C64 C65 H65 120.4 . . ?
C65 C66 N61 123.3(2) . . ?
C65 C66 H66 118.3 . . ?
N61 C66 H66 118.3 . . ?
N61 C67 C68 115.9(3) . . ?
N61 C67 H67A 108.3 . . ?
C68 C67 H67A 108.3 . . ?
N61 C67 H67B 108.3 . . ?
C68 C67 H67B 108.3 . . ?
H67A C67 H67B 107.4 . . ?
C69 C68 C67 125.4(5) . . ?
C69 C68 H68A 106 . . ?
C67 C68 H68A 106 . . ?
C69 C68 H68B 106 . . ?
C67 C68 H68B 106 . . ?
H68A C68 H68B 106.3 . . ?
C68 C69 C70 117.5(7) . . ?
C68 C69 H69A 107.9 . . ?
C70 C69 H69A 107.9 . . ?
C68 C69 H69B 107.9 . . ?
C70 C69 H69B 107.9 . . ?
H69A C69 H69B 107.2 . . ?
C71 C70 C69 111.2(6) . . ?
C71 C70 H70A 109.4 . . ?
C69 C70 H70A 109.4 . . ?
C71 C70 H70B 109.4 . . ?
C69 C70 H70B 109.4 . . ?
H70A C70 H70B 108 . . ?
C72 C71 C70 110.8(7) . . ?
C72 C71 H71A 109.5 . . ?
C70 C71 H71A 109.5 . . ?
C72 C71 H71B 109.5 . . ?
C70 C71 H71B 109.5 . . ?
H71A C71 H71B 108.1 . . ?
C69' C68' H68C 111.5 . . ?
C69' C68' H68D 111.5 . . ?
H68C C68' H68D 109.3 . . ?
C68' C69' C70' 109.6(7) . . ?
C68' C69' H69C 109.8 . . ?
C70' C69' H69C 109.8 . . ?
C68' C69' H69D 109.8 . . ?
C70' C69' H69D 109.8 . . ?
H69C C69' H69D 108.2 . . ?
C71' C70' C69' 112.4(8) . . ?
C71' C70' H70C 109.1 . . ?
C69' C70' H70C 109.1 . . ?
C71' C70' H70D 109.1 . . ?
C69' C70' H70D 109.1 . . ?
H70C C70' H70D 107.8 . . ?
C70' C71' C72' 113.8(10) . . ?
C70' C71' H71C 108.8 . . ?
C72' C71' H71C 108.8 . . ?
C70' C71' H71D 108.8 . . ?
C72' C71' H71D 108.8 . . ?
H71C C71' H71D 107.7 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O102 N101 O103 Ag1 180.0000(10) . . . . ?
O103 N101 O103 Ag1 0 2_556 . . . ?
O24 Ag1 O103 N101 -96.25(10) . . . . ?
O24 Ag1 O103 N101 101.73(10) 2_556 . . . ?
O4 Ag1 O103 N101 -177.09(11) . . . . ?
O4 Ag1 O103 N101 4.07(15) 2_556 . . . ?
O103 Ag1 O103 N101 0 2_556 . . . ?
C6 N1 C2 O2 176.7(3) . . . . ?
C7 N1 C2 O2 -1.2(4) . . . . ?
C6 N1 C2 N3 -3.3(4) . . . . ?
C7 N1 C2 N3 178.8(2) . . . . ?
O2 C2 N3 C4 -178.4(3) . . . . ?
N1 C2 N3 C4 1.6(4) . . . . ?
C2 N3 C4 O4 -176.9(3) . . . . ?
C2 N3 C4 C5 1.3(4) . . . . ?
N3 C4 O4 Ag1 3.5(4) . . . . ?
C5 C4 O4 Ag1 -174.6(2) . . . . ?
O24 Ag1 O4 C4 -16.1(3) . . . . ?
O24 Ag1 O4 C4 -157.4(3) 2_556 . . . ?
O4 Ag1 O4 C4 -86.7(3) 2_556 . . . ?
O103 Ag1 O4 C4 91.4(3) 2_556 . . . ?
O103 Ag1 O4 C4 94.6(3) . . . . ?
O4 C4 C5 C6 175.5(3) . . . . ?
N3 C4 C5 C6 -2.6(4) . . . . ?
C4 C5 C6 N1 1.0(4) . . . . ?
C2 N1 C6 C5 2.2(4) . . . . ?
C7 N1 C6 C5 -179.9(3) . . . . ?
C6 N1 C7 C8 -93.0(4) . . . . ?
C2 N1 C7 C8 84.9(4) . . . . ?
N1 C7 C8 C9 57.4(6) . . . . ?
C7 C8 C9 C10 173.0(5) . . . . ?
C8 C9 C10 C11 175.6(6) . . . . ?
C9 C10 C11 C12 166.2(6) . . . . ?
C8' C9' C10' C11' -171.8(8) . . . . ?
C9' C10' C11' C12' -172.2(8) . . . . ?
C26 N21 C22 O22 180.0(3) . . . . ?
C27 N21 C22 O22 1.9(4) . . . . ?
C26 N21 C22 N23 -1.5(4) . . . . ?
C27 N21 C22 N23 -179.6(2) . . . . ?
O22 C22 N23 C24 178.9(3) . . . . ?
N21 C22 N23 C24 0.4(4) . . . . ?
C22 N23 C24 O24 -179.7(3) . . . . ?
C22 N23 C24 C25 1.1(4) . . . . ?
N23 C24 O24 Ag1 4.6(4) . . . . ?
C25 C24 O24 Ag1 -176.3(2) . . . . ?
O24 Ag1 O24 C24 -89.6(3) 2_556 . . . ?
O4 Ag1 O24 C24 -161.3(3) . . . . ?
O4 Ag1 O24 C24 -17.8(3) 2_556 . . . ?
O103 Ag1 O24 C24 64.0(3) 2_556 . . . ?
O103 Ag1 O24 C24 117.2(3) . . . . ?
O24 C24 C25 C26 179.4(3) . . . . ?
N23 C24 C25 C26 -1.5(4) . . . . ?
C24 C25 C26 N21 0.4(5) . . . . ?
C22 N21 C26 C25 1.2(5) . . . . ?
C27 N21 C26 C25 179.2(3) . . . . ?
C26 N21 C27 C28 -96.4(4) . . . . ?
C22 N21 C27 C28 81.7(4) . . . . ?
N21 C27 C28 C29 63.2(6) . . . . ?
C27 C28 C29 C30 174.3(6) . . . . ?
C28 C29 C30 C31 -177.7(7) . . . . ?
C29 C30 C31 C32 174.7(8) . . . . ?
C28' C29' C30' C31' 179.3(8) . . . . ?
C29' C30' C31' C32' 75.2(11) . . . . ?
O205 N204 O206 Ag2 180 . . . . ?
O206 N204 O206 Ag2 0 2_656 . . . ?
O44 Ag2 O206 N204 127.51(11) 2_656 . . . ?
O44 Ag2 O206 N204 -69.23(13) . . . . ?
O64 Ag2 O206 N204 -149.56(11) . . . . ?
O64 Ag2 O206 N204 41.69(14) 2_656 . . . ?
O206 Ag2 O206 N204 0 2_656 . . . ?
C46 N41 C42 O42 -179.6(3) . . . . ?
C47 N41 C42 O42 2.9(4) . . . . ?
C46 N41 C42 N43 0.7(4) . . . . ?
C47 N41 C42 N43 -176.8(2) . . . . ?
O42 C42 N43 C44 179.6(3) . . . . ?
N41 C42 N43 C44 -0.7(4) . . . . ?
C42 N43 C44 O44 -179.1(3) . . . . ?
C42 N43 C44 C45 0.0(4) . . . . ?
N43 C44 O44 Ag2 17.7(4) . . . . ?
C45 C44 O44 Ag2 -161.3(2) . . . . ?
O44 Ag2 O44 C44 -90.4(3) 2_656 . . . ?
O64 Ag2 O44 C44 -161.6(3) . . . . ?
O64 Ag2 O44 C44 -19.4(3) 2_656 . . . ?
O206 Ag2 O44 C44 114.8(3) . . . . ?
O206 Ag2 O44 C44 68.4(3) 2_656 . . . ?
O44 C44 C45 C46 179.8(3) . . . . ?
N43 C44 C45 C46 0.8(4) . . . . ?
C44 C45 C46 N41 -0.9(5) . . . . ?
C42 N41 C46 C45 0.1(4) . . . . ?
C47 N41 C46 C45 177.6(3) . . . . ?
C46 N41 C47 C48 -79.3(4) . . . . ?
C42 N41 C47 C48 98.3(4) . . . . ?
N41 C47 C48 C49 -59.2(6) . . . . ?
C47 C48 C49 C50 172.2(5) . . . . ?
C48 C49 C50 C51 70.6(9) . . . . ?
C49 C50 C51 C52 179.8(7) . . . . ?
C48' C49' C50' C51' 173.3(6) . . . . ?
C49' C50' C51' C52' -175.9(7) . . . . ?
C66 N61 C62 O62 -178.3(3) . . . . ?
C67 N61 C62 O62 3.6(4) . . . . ?
C66 N61 C62 N63 0.3(4) . . . . ?
C67 N61 C62 N63 -177.7(2) . . . . ?
O62 C62 N63 C64 177.7(3) . . . . ?
N61 C62 N63 C64 -1.0(4) . . . . ?
C62 N63 C64 O64 -179.4(3) . . . . ?
C62 N63 C64 C65 0.8(4) . . . . ?
N63 C64 O64 Ag2 9.7(4) . . . . ?
C65 C64 O64 Ag2 -170.6(2) . . . . ?
O44 Ag2 O64 C64 -153.9(3) 2_656 . . . ?
O44 Ag2 O64 C64 -13.8(3) . . . . ?
O64 Ag2 O64 C64 -83.9(3) 2_656 . . . ?
O206 Ag2 O64 C64 109.3(3) . . . . ?
O206 Ag2 O64 C64 78.5(3) 2_656 . . . ?
O64 C64 C65 C66 -179.7(3) . . . . ?
N63 C64 C65 C66 0.0(4) . . . . ?
C64 C65 C66 N61 -0.7(5) . . . . ?
C62 N61 C66 C65 0.5(4) . . . . ?
C67 N61 C66 C65 178.5(3) . . . . ?
C66 N61 C67 C68 -80.2(4) . . . . ?
C62 N61 C67 C68 97.8(4) . . . . ?
N61 C67 C68 C69 -39.5(8) . . . . ?
C67 C68 C69 C70 161.0(6) . . . . ?
C68 C69 C70 C71 53.4(10) . . . . ?
C69 C70 C71 C72 161.2(7) . . . . ?
C68' C69' C70' C71' 80.0(12) . . . . ?
C69' C70' C71' C72' 167.7(12) . . . . ?

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
N3 H3 O24 0.88 1.9 2.759(2) 165.8 .
N23 H23 O4 0.88 1.91 2.762(2) 162.3 2_556
N43 H43 O64 0.88 1.9 2.761(2) 167.6 2_656
N63 H63 O44 0.88 1.89 2.757(3) 168.7 .

# END of CIF

_chemical_name_common            (Ag(NO3)(N1-hexyluracil-kappaO4)4)