# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2014

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#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
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#  fide research purposes only. It may contain copyright material
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data_1a

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H34 Ag N5 O6, C H4 O'
_chemical_formula_sum            'C33 H38 Ag N5 O7'
_chemical_formula_weight         724.55
_chemical_absolute_configuration .

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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P1
_symmetry_space_group_name_Hall  P1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'

_cell_length_a                   9.0885(19)
_cell_length_b                   10.008(2)
_cell_length_c                   10.316(2)
_cell_angle_alpha                84.680(3)
_cell_angle_beta                 83.399(3)
_cell_angle_gamma                66.850(3)
_cell_volume                     855.8(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    890
_cell_measurement_theta_min      2.42
_cell_measurement_theta_max      28.0

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.19
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.406
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             374
_exptl_absorpt_coefficient_mu    0.641
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8561
_exptl_absorpt_correction_T_max  0.8878
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       'φ and ω scan'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            6000
_diffrn_reflns_av_R_equivalents  0.0389
_diffrn_reflns_av_sigmaI/netI    0.0998
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         1.99
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4877
_reflns_number_gt                4392
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 2000)'
_computing_cell_refinement       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    
;
ORTEPIII (Burnett & Johnson, 1996); ORTEP-3 for Windows (Farrugia, 1997);
PLATON (Spek, 2009)
;
_computing_publication_material  'SHELXTL (Bruker, 2000)'


_refine_special_details          
; 
Both the nitrate anion and methanol molecule were badly disordered.
N-O length, as well as O-N-O bond angle of the disordered 
nitrate were restrained to chemically reasonable 
using the DFIX commands on SHELXL-97 with the N-O distance of 1.24 Å
and the O-O distance of 2.35 Å. Isotropic thermal parameters were 
applied to all the N, O and C atoms of disordered nitrate and methanol.
The disordered nitrate and methanol were restrained as the same thermal
displacement parameter, respectively, using the EADP command on SHELXL-97.

Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0108P)²+8.6000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.03(5)
_refine_ls_number_reflns         4877
_refine_ls_number_parameters     391
_refine_ls_number_restraints     45
_refine_ls_R_factor_all          0.0923
_refine_ls_R_factor_gt           0.0841
_refine_ls_wR_factor_ref         0.1811
_refine_ls_wR_factor_gt          0.1743
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_restrained_S_all      1.087
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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 0.87229(7) 1.02621(7) 1.94017(7) 0.0363(3) Uani 1 1 d . . .
C1 C 1.1349(13) 1.0645(12) 2.0847(10) 0.025(2) Uani 1 1 d . . .
H1A H 1.0396 1.1245 2.1326 0.030 Uiso 1 1 calc R . .
C2 C 1.2541(15) 0.9144(14) 1.9132(11) 0.031(3) Uani 1 1 d . . .
H2A H 1.2454 0.8654 1.8415 0.037 Uiso 1 1 calc R . .
C3 C 1.4050(14) 0.8965(14) 1.9409(12) 0.033(3) Uani 1 1 d . . .
H3A H 1.4969 0.8396 1.8877 0.039 Uiso 1 1 calc R . .
C4 C 1.4219(13) 0.9632(13) 2.0487(11) 0.026(3) Uani 1 1 d . . .
H4A H 1.5254 0.9499 2.0711 0.031 Uiso 1 1 calc R . .
C5 C 1.2822(13) 1.0507(12) 2.1236(10) 0.021(2) Uani 1 1 d . . .
C6 C 1.2891(13) 1.1243(12) 2.2405(10) 0.021(2) Uani 1 1 d . . .
H6A H 1.3856 1.1486 2.2278 0.025 Uiso 1 1 calc R . .
H6B H 1.1938 1.2168 2.2475 0.025 Uiso 1 1 calc R . .
C7 C 1.1555(12) 1.0858(11) 2.4636(10) 0.020(2) Uani 1 1 d . . .
H7A H 1.1858 1.0162 2.5413 0.024 Uiso 1 1 calc R . .
C8 C 1.0074(13) 1.0811(13) 2.4225(10) 0.023(2) Uani 1 1 d . . .
H8A H 1.0307 0.9834 2.3917 0.027 Uiso 1 1 calc R . .
H8B H 0.9691 1.1534 2.3491 0.027 Uiso 1 1 calc R . .
C9 C 0.8739(13) 1.1145(14) 2.5378(11) 0.030(3) Uani 1 1 d . . .
H9A H 0.7742 1.1152 2.5075 0.036 Uiso 1 1 calc R . .
H9B H 0.9083 1.0377 2.6085 0.036 Uiso 1 1 calc R . .
C10 C 0.8423(13) 1.2595(13) 2.5890(12) 0.029(3) Uani 1 1 d . . .
H10A H 0.7642 1.2752 2.6669 0.035 Uiso 1 1 calc R . .
H10B H 0.7927 1.3366 2.5217 0.035 Uiso 1 1 calc R . .
C11 C 0.9943(13) 1.2747(13) 2.6263(12) 0.026(3) Uani 1 1 d . . .
H11A H 0.9666 1.3749 2.6530 0.031 Uiso 1 1 calc R . .
H11B H 1.0373 1.2064 2.7013 0.031 Uiso 1 1 calc R . .
C12 C 1.1215(12) 1.2422(12) 2.5111(10) 0.020(2) Uani 1 1 d . . .
H12A H 1.0764 1.3150 2.4382 0.024 Uiso 1 1 calc R . .
C13 C 1.3726(13) 1.1455(12) 2.6278(11) 0.021(2) Uani 1 1 d . . .
H13A H 1.4733 1.0871 2.5770 0.025 Uiso 1 1 calc R . .
H13B H 1.3183 1.0793 2.6618 0.025 Uiso 1 1 calc R . .
C14 C 1.4167(13) 1.2025(12) 2.7446(10) 0.022(2) Uani 1 1 d . . .
C15 C 1.3126(14) 1.3175(12) 2.8107(11) 0.025(2) Uani 1 1 d . . .
H15A H 1.2082 1.3727 2.7838 0.030 Uiso 1 1 calc R . .
C16 C 1.3655(15) 1.3519(13) 2.9211(12) 0.033(3) Uani 1 1 d . . .
H16A H 1.2941 1.4285 2.9733 0.040 Uiso 1 1 calc R . .
C17 C 1.5213(15) 1.2745(13) 2.9543(11) 0.029(3) Uani 1 1 d . . .
H17A H 1.5564 1.3005 3.0279 0.035 Uiso 1 1 calc R . .
C18 C 1.5722(13) 1.1259(13) 2.7824(10) 0.026(3) Uani 1 1 d . . .
H18A H 1.6437 1.0451 2.7350 0.031 Uiso 1 1 calc R . .
C19 C 1.4383(13) 0.9265(12) 2.3864(11) 0.024(3) Uani 1 1 d . . .
C20 C 1.4514(13) 0.8172(12) 2.4963(10) 0.023(2) Uani 1 1 d . . .
C21 C 1.3424(14) 0.7521(13) 2.5278(12) 0.029(3) Uani 1 1 d . . .
H21A H 1.2476 0.7820 2.4836 0.035 Uiso 1 1 calc R . .
C22 C 1.3741(17) 0.6438(14) 2.6239(13) 0.035(3) Uani 1 1 d . . .
H22A H 1.3005 0.5970 2.6426 0.042 Uiso 1 1 calc R . .
C23 C 1.5032(15) 0.5987(13) 2.6944(13) 0.038(3) Uani 1 1 d . . .
H23A H 1.5186 0.5247 2.7622 0.046 Uiso 1 1 calc R . .
C24 C 1.6103(14) 0.6632(14) 2.6645(12) 0.034(3) Uani 1 1 d . . .
H24A H 1.7039 0.6305 2.7106 0.041 Uiso 1 1 calc R . .
C25 C 1.5884(13) 0.7733(12) 2.5706(10) 0.025(3) Uani 1 1 d . . .
H25A H 1.6624 0.8198 2.5549 0.030 Uiso 1 1 calc R . .
C26 C 1.3402(13) 1.3394(12) 2.4688(10) 0.023(2) Uani 1 1 d . . .
C27 C 1.2360(13) 1.4683(12) 2.3866(10) 0.024(2) Uani 1 1 d . . .
C28 C 1.3110(19) 1.4951(16) 2.2662(12) 0.037(3) Uani 1 1 d . . .
H28A H 1.4152 1.4309 2.2351 0.044 Uiso 1 1 calc R . .
C29 C 1.2200(19) 1.6268(15) 2.1918(13) 0.046(4) Uani 1 1 d . . .
H29A H 1.2653 1.6461 2.1081 0.055 Uiso 1 1 calc R . .
C30 C 1.0779(17) 1.7208(14) 2.2344(13) 0.038(3) Uani 1 1 d . . .
H30A H 1.0227 1.8073 2.1844 0.046 Uiso 1 1 calc R . .
C31 C 1.0105(16) 1.6871(14) 2.3588(13) 0.038(3) Uani 1 1 d . . .
H31A H 0.9074 1.7521 2.3913 0.045 Uiso 1 1 calc R . .
C32 C 1.0892(14) 1.5651(13) 2.4320(12) 0.030(3) Uani 1 1 d . . .
H32A H 1.0420 1.5470 2.5152 0.036 Uiso 1 1 calc R . .
N1 N 1.1205(11) 0.9951(12) 1.9796(9) 0.029(2) Uani 1 1 d . . .
N2 N 1.2943(10) 1.0372(10) 2.3631(8) 0.0201(19) Uani 1 1 d . . .
N3 N 1.2715(10) 1.2535(10) 2.5405(8) 0.022(2) Uani 1 1 d . . .
N4 N 1.6218(12) 1.1656(12) 2.8854(10) 0.030(2) Uani 1 1 d . . .
O1 O 1.5612(9) 0.9135(9) 2.3133(8) 0.0296(19) Uani 1 1 d . . .
O2 O 1.4789(9) 1.3162(9) 2.4726(8) 0.032(2) Uani 1 1 d . . .
N5 N 0.9583(15) 0.7273(15) 1.8134(15) 0.089(2) Uani 1 1 d DU . .
O3 O 0.9819(16) 0.6107(13) 1.7562(13) 0.089(2) Uani 1 1 d DU . .
O4 O 1.0614(14) 0.7213(14) 1.8931(13) 0.089(2) Uani 1 1 d DU . .
O5 O 0.8158(14) 0.8149(13) 1.8501(13) 0.089(2) Uani 1 1 d DU . .
O1W O 0.7732(10) 1.0386(10) 2.1885(8) 0.039(2) Uani 1 1 d . . .
H1WA H 0.8379 1.0312 2.2446 0.047 Uiso 1 1 d R . .
H1WB H 0.6767 1.0499 2.2133 0.047 Uiso 1 1 d R . .
C36 C 0.8200(12) 1.4298(11) 2.1955(10) 0.0148(12) Uani 1 1 d U . .
H36A H 0.7792 1.4880 2.2728 0.018 Uiso 1 1 calc R . .
H36B H 0.8876 1.3297 2.2221 0.018 Uiso 1 1 calc R . .
H36C H 0.7296 1.4298 2.1521 0.018 Uiso 1 1 calc R . .
O6 O 0.9213(8) 1.4966(7) 2.0992(6) 0.0148(12) Uani 1 1 d U . .
H6C H 0.8592 1.5706 2.0572 0.018 Uiso 1 1 d R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds 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 N1 2.234(9) . ?
Ag1 N4 2.258(10) 1_454 ?
C1 N1 1.385(14) . ?
C1 C5 1.393(15) . ?
C1 H1A 0.9500 . ?
C2 N1 1.318(15) . ?
C2 C3 1.372(16) . ?
C2 H2A 0.9500 . ?
C3 C4 1.401(16) . ?
C3 H3A 0.9500 . ?
C4 C5 1.415(16) . ?
C4 H4A 0.9500 . ?
C5 C6 1.490(14) . ?
C6 N2 1.462(13) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.477(14) . ?
C7 N2 1.488(13) . ?
C7 C12 1.585(15) . ?
C7 H7A 1.0000 . ?
C8 C9 1.555(16) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.499(17) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.542(15) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.521(16) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 N3 1.478(13) . ?
C12 H12A 1.0000 . ?
C13 N3 1.433(14) . ?
C13 C14 1.535(14) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.351(15) . ?
C14 C18 1.399(15) . ?
C15 C16 1.405(15) . ?
C15 H15A 0.9500 . ?
C16 C17 1.387(17) . ?
C16 H16A 0.9500 . ?
C17 N4 1.319(16) . ?
C17 H17A 0.9500 . ?
C18 N4 1.348(14) . ?
C18 H18A 0.9500 . ?
C19 O1 1.243(13) . ?
C19 N2 1.371(14) . ?
C19 C20 1.481(16) . ?
C20 C21 1.380(15) . ?
C20 C25 1.434(15) . ?
C21 C22 1.365(18) . ?
C21 H21A 0.9500 . ?
C22 C23 1.352(18) . ?
C22 H22A 0.9500 . ?
C23 C24 1.359(18) . ?
C23 H23A 0.9500 . ?
C24 C25 1.366(17) . ?
C24 H24A 0.9500 . ?
C25 H25A 0.9500 . ?
C26 O2 1.194(13) . ?
C26 N3 1.368(14) . ?
C26 C27 1.517(15) . ?
C27 C32 1.364(16) . ?
C27 C28 1.403(17) . ?
C28 C29 1.453(19) . ?
C28 H28A 0.9500 . ?
C29 C30 1.32(2) . ?
C29 H29A 0.9500 . ?
C30 C31 1.427(19) . ?
C30 H30A 0.9500 . ?
C31 C32 1.356(17) . ?
C31 H31A 0.9500 . ?
C32 H32A 0.9500 . ?
N4 Ag1 2.258(10) 1_656 ?
N5 O5 1.282(9) . ?
N5 O3 1.287(9) . ?
N5 O4 1.297(9) . ?
O1W H1WA 0.8500 . ?
O1W H1WB 0.8500 . ?
C36 O6 1.559(11) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
O6 H6C 0.8500 . ?

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
N1 Ag1 N4 152.4(3) . 1_454 ?
N1 C1 C5 123.2(10) . . ?
N1 C1 H1A 118.4 . . ?
C5 C1 H1A 118.4 . . ?
N1 C2 C3 124.1(11) . . ?
N1 C2 H2A 117.9 . . ?
C3 C2 H2A 117.9 . . ?
C2 C3 C4 119.2(11) . . ?
C2 C3 H3A 120.4 . . ?
C4 C3 H3A 120.4 . . ?
C3 C4 C5 118.9(10) . . ?
C3 C4 H4A 120.5 . . ?
C5 C4 H4A 120.5 . . ?
C1 C5 C4 117.1(10) . . ?
C1 C5 C6 120.4(10) . . ?
C4 C5 C6 122.5(10) . . ?
N2 C6 C5 113.9(9) . . ?
N2 C6 H6A 108.8 . . ?
C5 C6 H6A 108.8 . . ?
N2 C6 H6B 108.8 . . ?
C5 C6 H6B 108.8 . . ?
H6A C6 H6B 107.7 . . ?
C8 C7 N2 113.6(8) . . ?
C8 C7 C12 110.3(8) . . ?
N2 C7 C12 112.2(9) . . ?
C8 C7 H7A 106.8 . . ?
N2 C7 H7A 106.8 . . ?
C12 C7 H7A 106.8 . . ?
C7 C8 C9 110.8(9) . . ?
C7 C8 H8A 109.5 . . ?
C9 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C9 C8 H8B 109.5 . . ?
H8A C8 H8B 108.1 . . ?
C10 C9 C8 110.0(10) . . ?
C10 C9 H9A 109.7 . . ?
C8 C9 H9A 109.7 . . ?
C10 C9 H9B 109.7 . . ?
C8 C9 H9B 109.7 . . ?
H9A C9 H9B 108.2 . . ?
C9 C10 C11 113.7(9) . . ?
C9 C10 H10A 108.8 . . ?
C11 C10 H10A 108.8 . . ?
C9 C10 H10B 108.8 . . ?
C11 C10 H10B 108.8 . . ?
H10A C10 H10B 107.7 . . ?
C12 C11 C10 110.3(9) . . ?
C12 C11 H11A 109.6 . . ?
C10 C11 H11A 109.6 . . ?
C12 C11 H11B 109.6 . . ?
C10 C11 H11B 109.6 . . ?
H11A C11 H11B 108.1 . . ?
N3 C12 C11 113.3(9) . . ?
N3 C12 C7 111.1(8) . . ?
C11 C12 C7 108.9(9) . . ?
N3 C12 H12A 107.8 . . ?
C11 C12 H12A 107.8 . . ?
C7 C12 H12A 107.8 . . ?
N3 C13 C14 116.2(9) . . ?
N3 C13 H13A 108.2 . . ?
C14 C13 H13A 108.2 . . ?
N3 C13 H13B 108.2 . . ?
C14 C13 H13B 108.2 . . ?
H13A C13 H13B 107.4 . . ?
C15 C14 C18 120.8(10) . . ?
C15 C14 C13 123.1(10) . . ?
C18 C14 C13 116.1(10) . . ?
C14 C15 C16 117.1(11) . . ?
C14 C15 H15A 121.5 . . ?
C16 C15 H15A 121.5 . . ?
C17 C16 C15 120.3(12) . . ?
C17 C16 H16A 119.9 . . ?
C15 C16 H16A 119.9 . . ?
N4 C17 C16 121.1(10) . . ?
N4 C17 H17A 119.4 . . ?
C16 C17 H17A 119.4 . . ?
N4 C18 C14 120.7(11) . . ?
N4 C18 H18A 119.6 . . ?
C14 C18 H18A 119.6 . . ?
O1 C19 N2 120.4(10) . . ?
O1 C19 C20 118.1(10) . . ?
N2 C19 C20 121.4(10) . . ?
C21 C20 C25 118.5(11) . . ?
C21 C20 C19 123.6(10) . . ?
C25 C20 C19 117.8(10) . . ?
C20 C21 C22 118.5(11) . . ?
C20 C21 H21A 120.8 . . ?
C22 C21 H21A 120.8 . . ?
C23 C22 C21 124.3(13) . . ?
C23 C22 H22A 117.9 . . ?
C21 C22 H22A 117.9 . . ?
C22 C23 C24 117.5(12) . . ?
C22 C23 H23A 121.3 . . ?
C24 C23 H23A 121.3 . . ?
C23 C24 C25 122.5(12) . . ?
C23 C24 H24A 118.8 . . ?
C25 C24 H24A 118.8 . . ?
C24 C25 C20 118.7(11) . . ?
C24 C25 H25A 120.7 . . ?
C20 C25 H25A 120.7 . . ?
O2 C26 N3 121.0(10) . . ?
O2 C26 C27 120.0(10) . . ?
N3 C26 C27 119.0(9) . . ?
C32 C27 C28 121.0(11) . . ?
C32 C27 C26 123.4(10) . . ?
C28 C27 C26 115.0(11) . . ?
C27 C28 C29 116.1(14) . . ?
C27 C28 H28A 122.0 . . ?
C29 C28 H28A 122.0 . . ?
C30 C29 C28 123.4(13) . . ?
C30 C29 H29A 118.3 . . ?
C28 C29 H29A 118.3 . . ?
C29 C30 C31 117.2(12) . . ?
C29 C30 H30A 121.4 . . ?
C31 C30 H30A 121.4 . . ?
C32 C31 C30 121.9(12) . . ?
C32 C31 H31A 119.0 . . ?
C30 C31 H31A 119.0 . . ?
C27 C32 C31 120.3(12) . . ?
C27 C32 H32A 119.8 . . ?
C31 C32 H32A 119.8 . . ?
C2 N1 C1 117.4(10) . . ?
C2 N1 Ag1 125.6(8) . . ?
C1 N1 Ag1 116.9(7) . . ?
C19 N2 C6 116.8(9) . . ?
C19 N2 C7 123.1(9) . . ?
C6 N2 C7 119.3(8) . . ?
C26 N3 C13 115.5(9) . . ?
C26 N3 C12 124.2(8) . . ?
C13 N3 C12 118.7(8) . . ?
C17 N4 C18 119.9(10) . . ?
C17 N4 Ag1 123.1(7) . 1_656 ?
C18 N4 Ag1 116.8(8) . 1_656 ?
O5 N5 O3 120.9(12) . . ?
O5 N5 O4 111.8(11) . . ?
O3 N5 O4 117.7(12) . . ?
H1WA O1W H1WB 120.0 . . ?
O6 C36 H36A 109.5 . . ?
O6 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
O6 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C36 O6 H6C 109.8 . . ?

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
O1W H1WB O1 0.85 2.16 2.822(11) 135.1 1_455

_diffrn_measured_fraction_theta_max 0.970
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.970
_refine_diff_density_max         1.967
_refine_diff_density_min         -1.040
_refine_diff_density_rms         0.142
_database_code_depnum_ccdc_archive 'CCDC 1013603'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_2a

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H32 Ag N4 O2, N O3, 3(H2 O)'
_chemical_formula_sum            'C32 H38 Ag N5 O8'
_chemical_formula_weight         728.54
_chemical_absolute_configuration .

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'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   P2(1)2(1)2(1)
_symmetry_space_group_name_Hall  'P 2ac 2ab'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   10.9284(12)
_cell_length_b                   13.1429(14)
_cell_length_c                   23.209(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     3333.6(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    795
_cell_measurement_theta_min      2.41
_cell_measurement_theta_max      28.0

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.452
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1504
_exptl_absorpt_coefficient_mu    0.661
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8522
_exptl_absorpt_correction_T_max  0.8682
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       'φ and ω scan'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            24726
_diffrn_reflns_av_R_equivalents  0.0540
_diffrn_reflns_av_sigmaI/netI    0.0575
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         2.34
_diffrn_reflns_theta_max         26.00
_reflns_number_total             6409
_reflns_number_gt                4254
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 2000)'
_computing_cell_refinement       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    
;
ORTEPIII (Burnett & Johnson, 1996); ORTEP-3 for Windows (Farrugia, 1997);
PLATON (Spek, 2009)
;
_computing_publication_material  'SHELXTL (Bruker, 2000)'

_refine_special_details          
; 
All the nitrate anion and free water molecules were badly disordered.
Isotropic thermal parameters were applied to all the O atoms of 
the three disordered water molecules.The disordered nitrate and the 
three water were restrained as the same thermal
displacement parameter, respectively, using the EADP command on SHELXL-97.

 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0773P)²+2.1088P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(4)
_refine_ls_number_reflns         6409
_refine_ls_number_parameters     385
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0960
_refine_ls_R_factor_gt           0.0594
_refine_ls_wR_factor_ref         0.1686
_refine_ls_wR_factor_gt          0.1467
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_restrained_S_all      1.072
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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 1.47575(6) 0.71665(5) 0.96548(2) 0.0785(2) Uani 1 1 d . . .
C1 C 1.3187(6) 0.7789(5) 0.8622(3) 0.0530(15) Uani 1 1 d . . .
H1A H 1.2748 0.7219 0.8738 0.064 Uiso 1 1 calc R . .
C2 C 1.4683(7) 0.8968(5) 0.8808(3) 0.0554(15) Uani 1 1 d . . .
H2A H 1.5308 0.9210 0.9042 0.066 Uiso 1 1 calc R . .
C3 C 1.4414(6) 0.9483(5) 0.8313(3) 0.0587(18) Uani 1 1 d . . .
H3A H 1.4824 1.0082 0.8223 0.070 Uiso 1 1 calc R . .
C4 C 1.3524(6) 0.9105(5) 0.7947(3) 0.0540(16) Uani 1 1 d . . .
H4A H 1.3358 0.9425 0.7599 0.065 Uiso 1 1 calc R . .
C5 C 1.2882(6) 0.8238(4) 0.8109(3) 0.0432(14) Uani 1 1 d . . .
C6 C 1.1888(5) 0.7775(5) 0.7738(3) 0.0479(14) Uani 1 1 d . . .
H6A H 1.1514 0.7218 0.7949 0.058 Uiso 1 1 calc R . .
H6B H 1.1261 0.8284 0.7673 0.058 Uiso 1 1 calc R . .
C7 C 1.1704(5) 0.7780(5) 0.6644(3) 0.0476(14) Uani 1 1 d . . .
H7A H 1.2054 0.7406 0.6318 0.057 Uiso 1 1 calc R . .
C8 C 1.1965(7) 0.8901(5) 0.6544(3) 0.0605(18) Uani 1 1 d . . .
H8A H 1.1649 0.9295 0.6864 0.073 Uiso 1 1 calc R . .
H8B H 1.2842 0.9009 0.6524 0.073 Uiso 1 1 calc R . .
C9 C 1.1377(8) 0.9261(6) 0.5990(3) 0.076(2) Uani 1 1 d . . .
H9A H 1.1758 0.8920 0.5666 0.091 Uiso 1 1 calc R . .
H9B H 1.1510 0.9986 0.5947 0.091 Uiso 1 1 calc R . .
C10 C 0.9996(8) 0.9041(6) 0.5988(4) 0.077(2) Uani 1 1 d . . .
H10A H 0.9603 0.9429 0.6291 0.092 Uiso 1 1 calc R . .
H10B H 0.9649 0.9253 0.5622 0.092 Uiso 1 1 calc R . .
C11 C 0.9757(7) 0.7916(5) 0.6079(3) 0.0664(17) Uani 1 1 d . . .
H11A H 1.0097 0.7532 0.5760 0.080 Uiso 1 1 calc R . .
H11B H 0.8882 0.7794 0.6090 0.080 Uiso 1 1 calc R . .
C12 C 1.0348(6) 0.7553(4) 0.6654(2) 0.0450(13) Uani 1 1 d . . .
H12A H 0.9980 0.7943 0.6970 0.054 Uiso 1 1 calc R . .
C13 C 1.0622(6) 0.5710(5) 0.6356(3) 0.0541(16) Uani 1 1 d . . .
H13A H 1.1001 0.5172 0.6580 0.065 Uiso 1 1 calc R . .
H13B H 1.1260 0.6038 0.6133 0.065 Uiso 1 1 calc R . .
C14 C 0.9704(7) 0.5240(4) 0.5946(2) 0.0498(14) Uani 1 1 d . . .
C15 C 0.8491(6) 0.5467(5) 0.5901(3) 0.0606(18) Uani 1 1 d . . .
H15A H 0.8148 0.5951 0.6144 0.073 Uiso 1 1 calc R . .
C16 C 0.7782(7) 0.4998(6) 0.5506(3) 0.0658(19) Uani 1 1 d . . .
H16A H 0.6959 0.5169 0.5471 0.079 Uiso 1 1 calc R . .
C17 C 0.8276(7) 0.4274(6) 0.5159(3) 0.0600(18) Uani 1 1 d . . .
H17A H 0.7775 0.3951 0.4891 0.072 Uiso 1 1 calc R . .
C18 C 1.0160(7) 0.4490(4) 0.5568(3) 0.0565(16) Uani 1 1 d . . .
H18A H 1.0988 0.4328 0.5586 0.068 Uiso 1 1 calc R . .
C19 C 1.3216(6) 0.6712(5) 0.7117(3) 0.0618(18) Uani 1 1 d . . .
C20 C 1.3677(7) 0.6178(5) 0.7655(3) 0.0616(18) Uani 1 1 d . . .
C21 C 1.4883(7) 0.6312(5) 0.7820(4) 0.070(2) Uani 1 1 d . . .
H21A H 1.5399 0.6742 0.7614 0.084 Uiso 1 1 calc R . .
C22 C 1.5311(9) 0.5783(7) 0.8306(5) 0.091(3) Uani 1 1 d . . .
H22A H 1.6104 0.5902 0.8435 0.110 Uiso 1 1 calc R . .
C23 C 1.4604(10) 0.5110(7) 0.8590(4) 0.093(3) Uani 1 1 d . . .
H23A H 1.4914 0.4760 0.8906 0.111 Uiso 1 1 calc R . .
C24 C 1.3385(9) 0.4936(7) 0.8404(5) 0.100(3) Uani 1 1 d . . .
H24A H 1.2892 0.4464 0.8591 0.120 Uiso 1 1 calc R . .
C25 C 1.2944(8) 0.5484(6) 0.7937(4) 0.079(2) Uani 1 1 d . . .
H25A H 1.2144 0.5382 0.7814 0.095 Uiso 1 1 calc R . .
C26 C 0.9543(6) 0.6076(5) 0.7222(3) 0.0525(15) Uani 1 1 d . . .
C27 C 0.8900(6) 0.6773(5) 0.7643(3) 0.0494(15) Uani 1 1 d . . .
C28 C 0.9161(6) 0.6675(5) 0.8228(3) 0.0582(17) Uani 1 1 d . . .
H28A H 0.9729 0.6195 0.8351 0.070 Uiso 1 1 calc R . .
C29 C 0.8584(7) 0.7279(6) 0.8621(3) 0.072(2) Uani 1 1 d . . .
H29A H 0.8778 0.7223 0.9010 0.086 Uiso 1 1 calc R . .
C30 C 0.7719(8) 0.7971(7) 0.8446(4) 0.078(2) Uani 1 1 d . . .
H30A H 0.7327 0.8378 0.8716 0.094 Uiso 1 1 calc R . .
C31 C 0.7437(7) 0.8060(6) 0.7883(4) 0.075(2) Uani 1 1 d . . .
H31A H 0.6843 0.8524 0.7768 0.090 Uiso 1 1 calc R . .
C32 C 0.8027(6) 0.7463(5) 0.7471(3) 0.065(2) Uani 1 1 d . . .
H32A H 0.7831 0.7530 0.7083 0.078 Uiso 1 1 calc R . .
N1 N 1.4081(5) 0.8126(4) 0.8967(2) 0.0530(13) Uani 1 1 d . . .
N2 N 1.2310(4) 0.7390(4) 0.7178(2) 0.0483(12) Uani 1 1 d . . .
N3 N 1.0088(4) 0.6459(3) 0.6754(2) 0.0473(12) Uani 1 1 d . . .
N4 N 0.9467(6) 0.4004(4) 0.5187(2) 0.0617(15) Uani 1 1 d . . .
N5 N 1.6720(13) 0.8800(9) 1.0134(6) 0.1604(19) Uani 1 1 d . . .
O1 O 1.3682(6) 0.6502(6) 0.6650(3) 0.106(2) Uani 1 1 d . . .
O2 O 0.9541(6) 0.5156(3) 0.7320(2) 0.0801(15) Uani 1 1 d . . .
O3 O 1.7469(8) 0.9282(7) 1.0450(5) 0.1604(19) Uani 1 1 d . . .
O4 O 1.5670(9) 0.8726(7) 1.0284(5) 0.1604(19) Uani 1 1 d . . .
O5 O 1.7184(8) 0.8178(6) 0.9848(5) 0.1604(19) Uani 1 1 d . . .
O1W O 1.624(2) 0.7348(18) 0.6081(10) 0.412(8) Uani 1 1 d U . .
H1WA H 1.5779 0.7033 0.6187 0.495 Uiso 1 1 d R . .
H1WB H 1.6468 0.7699 0.5791 0.495 Uiso 1 1 d R . .
O2W O 1.686(3) 0.8389(17) 0.5106(11) 0.412(8) Uani 1 1 d U . .
H2WA H 1.7028 0.8970 0.5172 0.495 Uiso 1 1 d R . .
H2WB H 1.7505 0.8221 0.4972 0.495 Uiso 1 1 d R . .
O3W O 1.399(3) 0.6950(18) 0.5493(11) 0.412(8) Uani 1 1 d U . .
H3WA H 1.3856 0.6764 0.5816 0.495 Uiso 1 1 d R . .
H3WB H 1.4586 0.7012 0.5393 0.495 Uiso 1 1 d R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds 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 N4 2.148(5) 2_765 ?
Ag1 N1 2.164(5) . ?
C1 N1 1.338(8) . ?
C1 C5 1.371(9) . ?
C1 H1A 0.9300 . ?
C2 N1 1.339(8) . ?
C2 C3 1.364(9) . ?
C2 H2A 0.9300 . ?
C3 C4 1.384(9) . ?
C3 H3A 0.9300 . ?
C4 C5 1.389(8) . ?
C4 H4A 0.9300 . ?
C5 C6 1.513(9) . ?
C6 N2 1.469(8) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 N2 1.495(8) . ?
C7 C12 1.512(9) . ?
C7 C8 1.519(9) . ?
C7 H7A 0.9800 . ?
C8 C9 1.512(10) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.536(12) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.516(10) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.559(8) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 N3 1.484(7) . ?
C12 H12A 0.9800 . ?
C13 N3 1.470(7) . ?
C13 C14 1.515(9) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C15 1.363(10) . ?
C14 C18 1.412(8) . ?
C15 C16 1.350(9) . ?
C15 H15A 0.9300 . ?
C16 C17 1.359(10) . ?
C16 H16A 0.9300 . ?
C17 N4 1.351(9) . ?
C17 H17A 0.9300 . ?
C18 N4 1.327(8) . ?
C18 H18A 0.9300 . ?
C19 O1 1.228(9) . ?
C19 N2 1.341(8) . ?
C19 C20 1.517(10) . ?
C20 C25 1.380(11) . ?
C20 C21 1.385(10) . ?
C21 C22 1.403(12) . ?
C21 H21A 0.9300 . ?
C22 C23 1.347(14) . ?
C22 H22A 0.9300 . ?
C23 C24 1.419(14) . ?
C23 H23A 0.9300 . ?
C24 C25 1.387(12) . ?
C24 H24A 0.9300 . ?
C25 H25A 0.9300 . ?
C26 O2 1.230(7) . ?
C26 N3 1.337(8) . ?
C26 C27 1.512(9) . ?
C27 C32 1.375(9) . ?
C27 C28 1.395(9) . ?
C28 C29 1.364(9) . ?
C28 H28A 0.9300 . ?
C29 C30 1.373(12) . ?
C29 H29A 0.9300 . ?
C30 C31 1.347(12) . ?
C30 H30A 0.9300 . ?
C31 C32 1.396(11) . ?
C31 H31A 0.9300 . ?
C32 H32A 0.9300 . ?
N4 Ag1 2.148(5) 2_764 ?
N5 O5 1.168(12) . ?
N5 O4 1.203(13) . ?
N5 O3 1.269(14) . ?
O1W H1WA 0.7000 . ?
O1W H1WB 0.8504 . ?
O2W H2WA 0.8000 . ?
O2W H2WB 0.7998 . ?
O3W H3WA 0.8000 . ?
O3W H3WB 0.7000 . ?

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 N1 167.6(2) 2_765 . ?
N1 C1 C5 123.7(6) . . ?
N1 C1 H1A 118.1 . . ?
C5 C1 H1A 118.1 . . ?
N1 C2 C3 122.5(6) . . ?
N1 C2 H2A 118.8 . . ?
C3 C2 H2A 118.8 . . ?
C2 C3 C4 119.3(6) . . ?
C2 C3 H3A 120.3 . . ?
C4 C3 H3A 120.3 . . ?
C3 C4 C5 118.9(6) . . ?
C3 C4 H4A 120.5 . . ?
C5 C4 H4A 120.5 . . ?
C1 C5 C4 117.7(6) . . ?
C1 C5 C6 119.7(6) . . ?
C4 C5 C6 122.6(6) . . ?
N2 C6 C5 114.6(5) . . ?
N2 C6 H6A 108.6 . . ?
C5 C6 H6A 108.6 . . ?
N2 C6 H6B 108.6 . . ?
C5 C6 H6B 108.6 . . ?
H6A C6 H6B 107.6 . . ?
N2 C7 C12 110.7(5) . . ?
N2 C7 C8 112.1(5) . . ?
C12 C7 C8 112.2(5) . . ?
N2 C7 H7A 107.2 . . ?
C12 C7 H7A 107.2 . . ?
C8 C7 H7A 107.2 . . ?
C9 C8 C7 110.7(6) . . ?
C9 C8 H8A 109.5 . . ?
C7 C8 H8A 109.5 . . ?
C9 C8 H8B 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 108.1 . . ?
C8 C9 C10 111.2(6) . . ?
C8 C9 H9A 109.4 . . ?
C10 C9 H9A 109.4 . . ?
C8 C9 H9B 109.4 . . ?
C10 C9 H9B 109.4 . . ?
H9A C9 H9B 108.0 . . ?
C11 C10 C9 110.6(6) . . ?
C11 C10 H10A 109.5 . . ?
C9 C10 H10A 109.5 . . ?
C11 C10 H10B 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 108.1 . . ?
C10 C11 C12 110.3(6) . . ?
C10 C11 H11A 109.6 . . ?
C12 C11 H11A 109.6 . . ?
C10 C11 H11B 109.6 . . ?
C12 C11 H11B 109.6 . . ?
H11A C11 H11B 108.1 . . ?
N3 C12 C7 112.4(5) . . ?
N3 C12 C11 110.6(5) . . ?
C7 C12 C11 109.4(5) . . ?
N3 C12 H12A 108.1 . . ?
C7 C12 H12A 108.1 . . ?
C11 C12 H12A 108.1 . . ?
N3 C13 C14 113.9(5) . . ?
N3 C13 H13A 108.8 . . ?
C14 C13 H13A 108.8 . . ?
N3 C13 H13B 108.8 . . ?
C14 C13 H13B 108.8 . . ?
H13A C13 H13B 107.7 . . ?
C15 C14 C18 116.7(6) . . ?
C15 C14 C13 127.1(6) . . ?
C18 C14 C13 116.2(6) . . ?
C16 C15 C14 120.7(7) . . ?
C16 C15 H15A 119.6 . . ?
C14 C15 H15A 119.6 . . ?
C15 C16 C17 119.6(7) . . ?
C15 C16 H16A 120.2 . . ?
C17 C16 H16A 120.2 . . ?
N4 C17 C16 122.5(6) . . ?
N4 C17 H17A 118.7 . . ?
C16 C17 H17A 118.7 . . ?
N4 C18 C14 123.2(7) . . ?
N4 C18 H18A 118.4 . . ?
C14 C18 H18A 118.4 . . ?
O1 C19 N2 123.4(7) . . ?
O1 C19 C20 118.9(6) . . ?
N2 C19 C20 117.7(6) . . ?
C25 C20 C21 120.3(7) . . ?
C25 C20 C19 120.3(7) . . ?
C21 C20 C19 119.1(7) . . ?
C20 C21 C22 118.5(8) . . ?
C20 C21 H21A 120.7 . . ?
C22 C21 H21A 120.7 . . ?
C23 C22 C21 121.8(9) . . ?
C23 C22 H22A 119.1 . . ?
C21 C22 H22A 119.1 . . ?
C22 C23 C24 119.7(9) . . ?
C22 C23 H23A 120.2 . . ?
C24 C23 H23A 120.2 . . ?
C25 C24 C23 118.7(9) . . ?
C25 C24 H24A 120.7 . . ?
C23 C24 H24A 120.7 . . ?
C20 C25 C24 120.9(8) . . ?
C20 C25 H25A 119.6 . . ?
C24 C25 H25A 119.6 . . ?
O2 C26 N3 121.4(6) . . ?
O2 C26 C27 118.4(6) . . ?
N3 C26 C27 120.2(5) . . ?
C32 C27 C28 119.1(6) . . ?
C32 C27 C26 122.3(6) . . ?
C28 C27 C26 118.6(6) . . ?
C29 C28 C27 120.2(7) . . ?
C29 C28 H28A 119.9 . . ?
C27 C28 H28A 119.9 . . ?
C28 C29 C30 120.4(7) . . ?
C28 C29 H29A 119.8 . . ?
C30 C29 H29A 119.8 . . ?
C31 C30 C29 120.2(7) . . ?
C31 C30 H30A 119.9 . . ?
C29 C30 H30A 119.9 . . ?
C30 C31 C32 120.7(8) . . ?
C30 C31 H31A 119.6 . . ?
C32 C31 H31A 119.6 . . ?
C27 C32 C31 119.4(8) . . ?
C27 C32 H32A 120.3 . . ?
C31 C32 H32A 120.3 . . ?
C1 N1 C2 117.8(6) . . ?
C1 N1 Ag1 119.8(4) . . ?
C2 N1 Ag1 121.2(5) . . ?
C19 N2 C6 123.7(6) . . ?
C19 N2 C7 117.8(5) . . ?
C6 N2 C7 118.5(5) . . ?
C26 N3 C13 115.7(5) . . ?
C26 N3 C12 125.2(5) . . ?
C13 N3 C12 118.4(5) . . ?
C18 N4 C17 117.2(6) . . ?
C18 N4 Ag1 120.1(5) . 2_764 ?
C17 N4 Ag1 122.7(4) . 2_764 ?
O5 N5 O4 121.4(13) . . ?
O5 N5 O3 113.4(14) . . ?
O4 N5 O3 119.2(13) . . ?
H1WA O1W H1WB 143.9 . . ?
H2WA O2W H2WB 98.1 . . ?
H3WA O3W H3WB 120.8 . . ?

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
O1W H1WA O3W 0.70 2.54 2.87(3) 111.2 .
O1W H1WB O2W 0.85 1.88 2.73(3) 174.3 .
O2W H2WA O3 0.80 2.45 3.25(2) 175.8 2_874
O2W H2WB O3W 0.80 1.96 2.74(4) 166.6 4_566
O3W H3WA O1 0.80 1.98 2.77(3) 170.7 .
O3W H3WB O1W 0.70 2.45 2.87(3) 119.8 .

_diffrn_measured_fraction_theta_max 0.984
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.984
_refine_diff_density_max         0.850
_refine_diff_density_min         -0.719
_refine_diff_density_rms         0.078
_database_code_depnum_ccdc_archive 'CCDC 1013604'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_1b

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H34 Ag N4 O3, C H4 O, Cl O4'
_chemical_formula_sum            'C33 H38 Ag Cl N4 O8'
_chemical_formula_weight         761.99
_chemical_absolute_configuration .

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'
Cl Cl 0.1484 0.1585 '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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P1
_symmetry_space_group_name_Hall  P1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'

_cell_length_a                   9.1852(15)
_cell_length_b                   10.2742(17)
_cell_length_c                   10.3527(17)
_cell_angle_alpha                84.690(2)
_cell_angle_beta                 83.518(2)
_cell_angle_gamma                65.526(2)
_cell_volume                     882.4(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    812
_cell_measurement_theta_min      2.41
_cell_measurement_theta_max      28.0

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.434
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             392
_exptl_absorpt_coefficient_mu    0.700
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8389
_exptl_absorpt_correction_T_max  0.8843
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       'φ and ω scan'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            6500
_diffrn_reflns_av_R_equivalents  0.0235
_diffrn_reflns_av_sigmaI/netI    0.0612
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.44
_diffrn_reflns_theta_max         25.49
_reflns_number_total             5017
_reflns_number_gt                4176
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 2000)'
_computing_cell_refinement       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    
;
ORTEPIII (Burnett & Johnson, 1996); ORTEP-3 for Windows (Farrugia, 1997);
PLATON (Spek, 2009)
;
_computing_publication_material  'SHELXTL (Bruker, 2000)'

_refine_special_details          
; 
Both the perchlorate anion and methanol molecule were badly disordered.
Cl-O length, as well as O-Cl-O bond angle of the disordered 
perchlorate were restrained to chemically reasonable 
using the DFIX commands on SHELXL-97 with the Cl-O distance of 1.44 Å
and the O-O distance of 2.35 Å. Isotropic thermal parameters were 
applied to the O and C atoms of the disordered methanol.
The disordered methanol were restrained as the same thermal
displacement parameter, respectively, using the EADP command on SHELXL-97.

 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0139P)²+6.5000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.05(5)
_refine_ls_number_reflns         5017
_refine_ls_number_parameters     418
_refine_ls_number_restraints     25
_refine_ls_R_factor_all          0.0864
_refine_ls_R_factor_gt           0.0748
_refine_ls_wR_factor_ref         0.1666
_refine_ls_wR_factor_gt          0.1597
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_restrained_S_all      1.065
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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 0.61143(9) 0.94909(9) 0.27820(9) 0.0666(4) Uani 1 1 d . . .
Cl1 Cl 0.6921(4) 0.6356(5) 0.1459(4) 0.0826(12) Uani 1 1 d D . .
C1 C 0.3224(12) 1.0263(12) 0.1119(10) 0.036(2) Uani 1 1 d . . .
H1A H 0.3974 0.9463 0.0663 0.043 Uiso 1 1 calc R . .
C2 C 0.2639(13) 1.1753(13) 0.2794(11) 0.046(3) Uani 1 1 d . . .
H2A H 0.2949 1.2027 0.3534 0.056 Uiso 1 1 calc R . .
C3 C 0.1096(14) 1.2521(13) 0.2405(12) 0.054(3) Uani 1 1 d . . .
H3A H 0.0366 1.3325 0.2867 0.065 Uiso 1 1 calc R . .
C4 C 0.0630(13) 1.2109(13) 0.1344(12) 0.052(3) Uani 1 1 d . . .
H4A H -0.0428 1.2612 0.1081 0.062 Uiso 1 1 calc R . .
C5 C 0.1707(11) 1.0973(10) 0.0680(10) 0.034(2) Uani 1 1 d . . .
C6 C 0.1294(12) 1.0415(11) -0.0437(11) 0.043(3) Uani 1 1 d . . .
H6A H 0.2306 0.9839 -0.0943 0.052 Uiso 1 1 calc R . .
H6B H 0.0787 0.9759 -0.0086 0.052 Uiso 1 1 calc R . .
C7 C -0.1221(10) 1.1337(10) -0.1588(10) 0.030(2) Uani 1 1 d . . .
H7A H -0.1688 1.2055 -0.2314 0.036 Uiso 1 1 calc R . .
C8 C -0.2495(13) 1.1726(14) -0.0403(11) 0.053(3) Uani 1 1 d . . .
H8A H -0.2078 1.1035 0.0338 0.064 Uiso 1 1 calc R . .
H8B H -0.2713 1.2694 -0.0134 0.064 Uiso 1 1 calc R . .
C9 C -0.4026(13) 1.1692(15) -0.0757(14) 0.064(4) Uani 1 1 d . . .
H9A H -0.4516 1.2479 -0.1411 0.077 Uiso 1 1 calc R . .
H9B H -0.4792 1.1858 0.0028 0.077 Uiso 1 1 calc R . .
C10 C -0.3742(13) 1.0239(13) -0.1316(13) 0.054(3) Uani 1 1 d . . .
H10A H -0.3399 0.9468 -0.0624 0.065 Uiso 1 1 calc R . .
H10B H -0.4759 1.0299 -0.1606 0.065 Uiso 1 1 calc R . .
C11 C -0.2483(11) 0.9882(12) -0.2441(11) 0.042(3) Uani 1 1 d . . .
H11A H -0.2876 1.0598 -0.3171 0.050 Uiso 1 1 calc R . .
H11B H -0.2276 0.8930 -0.2743 0.050 Uiso 1 1 calc R . .
C12 C -0.0920(10) 0.9873(11) -0.2044(9) 0.032(2) Uani 1 1 d . . .
H12A H -0.0601 0.9180 -0.1276 0.038 Uiso 1 1 calc R . .
C13 C 0.0332(12) 1.0227(11) -0.4290(10) 0.036(2) Uani 1 1 d . . .
H13A H 0.1288 1.0453 -0.4432 0.043 Uiso 1 1 calc R . .
H13B H -0.0628 1.1143 -0.4220 0.043 Uiso 1 1 calc R . .
C14 C 0.0253(11) 0.9478(11) -0.5463(9) 0.035(2) Uani 1 1 d . . .
C15 C 0.1588(12) 0.8668(12) -0.6224(10) 0.043(3) Uani 1 1 d . . .
H15A H 0.2620 0.8554 -0.6026 0.051 Uiso 1 1 calc R . .
C16 C 0.1437(12) 0.8018(13) -0.7277(11) 0.050(3) Uani 1 1 d . . .
H16A H 0.2358 0.7445 -0.7804 0.060 Uiso 1 1 calc R . .
C17 C -0.0083(13) 0.8219(13) -0.7549(11) 0.047(3) Uani 1 1 d . . .
H17A H -0.0181 0.7763 -0.8271 0.057 Uiso 1 1 calc R . .
C18 C -0.1224(12) 0.9679(14) -0.5800(10) 0.047(3) Uani 1 1 d . . .
H18A H -0.2148 1.0292 -0.5300 0.056 Uiso 1 1 calc R . .
C19 C 0.0906(12) 1.2288(12) -0.2061(11) 0.044(3) Uani 1 1 d . . .
C20 C -0.0135(11) 1.3599(11) -0.2854(10) 0.038(2) Uani 1 1 d . . .
C21 C -0.1607(12) 1.4577(12) -0.2362(12) 0.048(3) Uani 1 1 d . . .
H21A H -0.2083 1.4398 -0.1540 0.057 Uiso 1 1 calc R . .
C22 C -0.2382(14) 1.5854(12) -0.3119(14) 0.057(3) Uani 1 1 d . . .
H22A H -0.3367 1.6569 -0.2785 0.069 Uiso 1 1 calc R . .
C23 C -0.173(2) 1.6059(16) -0.4309(14) 0.073(4) Uani 1 1 d . . .
H23A H -0.2286 1.6897 -0.4828 0.087 Uiso 1 1 calc R . .
C24 C -0.0306(18) 1.5089(14) -0.4768(13) 0.060(3) Uani 1 1 d . . .
H24A H 0.0126 1.5263 -0.5610 0.072 Uiso 1 1 calc R . .
C25 C 0.0535(17) 1.3881(15) -0.4085(13) 0.052(4) Uani 1 1 d . . .
H25A H 0.1559 1.3231 -0.4424 0.062 Uiso 1 1 calc R . .
C26 C 0.1865(13) 0.8227(14) -0.2866(13) 0.047(3) Uani 1 1 d . . .
C27 C 0.2010(11) 0.7167(10) -0.1761(10) 0.034(2) Uani 1 1 d . . .
C28 C 0.0914(14) 0.6526(13) -0.1505(13) 0.050(3) Uani 1 1 d . . .
H28A H 0.0007 0.6845 -0.1999 0.060 Uiso 1 1 calc R . .
C29 C 0.1117(17) 0.5466(14) -0.0573(14) 0.057(4) Uani 1 1 d . . .
H29A H 0.0369 0.5038 -0.0428 0.069 Uiso 1 1 calc R . .
C30 C 0.2411(17) 0.5011(14) 0.0163(14) 0.061(4) Uani 1 1 d . . .
H30A H 0.2555 0.4269 0.0820 0.074 Uiso 1 1 calc R . .
C31 C 0.3527(14) 0.5645(14) -0.0057(12) 0.055(3) Uani 1 1 d . . .
H31A H 0.4403 0.5356 0.0469 0.066 Uiso 1 1 calc R . .
C32 C 0.3324(11) 0.6698(10) -0.1053(10) 0.037(2) Uani 1 1 d . . .
H32A H 0.4099 0.7092 -0.1243 0.045 Uiso 1 1 calc R . .
C33 C 0.5454(17) 1.3281(15) 0.5117(15) 0.070(2) Uani 1 1 d U . .
H33A H 0.4733 1.3879 0.5804 0.104 Uiso 1 1 calc R . .
H33B H 0.5458 1.3881 0.4324 0.104 Uiso 1 1 calc R . .
H33C H 0.6544 1.2810 0.5400 0.104 Uiso 1 1 calc R . .
N1 N 0.3687(12) 1.0641(12) 0.2144(10) 0.047(3) Uani 1 1 d . . .
N2 N 0.0252(10) 1.1453(9) -0.1314(9) 0.036(2) Uani 1 1 d . . .
N3 N 0.0415(9) 0.9374(9) -0.3056(8) 0.0334(19) Uani 1 1 d . . .
N4 N -0.1438(11) 0.9029(12) -0.6841(10) 0.049(3) Uani 1 1 d . . .
O1 O 0.2360(9) 1.2022(10) -0.2038(9) 0.065(3) Uani 1 1 d . . .
O2 O 0.3062(9) 0.8115(9) -0.3622(8) 0.053(2) Uani 1 1 d . . .
O3 O 0.688(3) 0.7371(17) 0.0398(17) 0.310(18) Uani 1 1 d D . .
O4 O 0.5433(12) 0.6913(15) 0.2231(15) 0.154(6) Uani 1 1 d D . .
O5 O 0.8140(16) 0.623(2) 0.2254(16) 0.196(9) Uani 1 1 d D . .
O6 O 0.7389(12) 0.5011(8) 0.1019(9) 0.084(3) Uani 1 1 d D . .
O7 O 0.4910(11) 1.2215(10) 0.4855(10) 0.070(2) Uani 1 1 d U . .
H7B H 0.4337 1.1864 0.5432 0.083 Uiso 1 1 d R . .
O1W O 0.5071(11) 0.9476(11) 0.5272(9) 0.077(3) Uani 1 1 d . . .
H1WA H 0.4461 0.9076 0.5605 0.092 Uiso 1 1 d R . .
H1WB H 0.5897 0.9398 0.5626 0.092 Uiso 1 1 d R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds 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 N4 2.171(9) 1_656 ?
Ag1 N1 2.193(10) . ?
Cl1 O6 1.372(7) . ?
Cl1 O4 1.423(7) . ?
Cl1 O5 1.421(8) . ?
Cl1 O3 1.435(8) . ?
C1 N1 1.331(13) . ?
C1 C5 1.385(13) . ?
C1 H1A 0.9500 . ?
C2 N1 1.331(14) . ?
C2 C3 1.392(15) . ?
C2 H2A 0.9500 . ?
C3 C4 1.383(15) . ?
C3 H3A 0.9500 . ?
C4 C5 1.360(14) . ?
C4 H4A 0.9500 . ?
C5 C6 1.487(13) . ?
C6 N2 1.432(13) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 N2 1.466(11) . ?
C7 C12 1.523(13) . ?
C7 C8 1.553(14) . ?
C7 H7A 1.0000 . ?
C8 C9 1.508(16) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.560(17) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.501(15) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.533(12) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 N3 1.467(12) . ?
C12 H12A 1.0000 . ?
C13 N3 1.472(13) . ?
C13 C14 1.521(13) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C18 1.366(13) . ?
C14 C15 1.369(13) . ?
C15 C16 1.377(14) . ?
C15 H15A 0.9500 . ?
C16 C17 1.383(14) . ?
C16 H16A 0.9500 . ?
C17 N4 1.352(14) . ?
C17 H17A 0.9500 . ?
C18 N4 1.392(14) . ?
C18 H18A 0.9500 . ?
C19 O1 1.249(12) . ?
C19 N2 1.377(15) . ?
C19 C20 1.519(15) . ?
C20 C21 1.383(14) . ?
C20 C25 1.410(17) . ?
C21 C22 1.416(16) . ?
C21 H21A 0.9500 . ?
C22 C23 1.346(18) . ?
C22 H22A 0.9500 . ?
C23 C24 1.342(18) . ?
C23 H23A 0.9500 . ?
C24 C25 1.342(19) . ?
C24 H24A 0.9500 . ?
C25 H25A 0.9500 . ?
C26 O2 1.246(13) . ?
C26 N3 1.384(13) . ?
C26 C27 1.481(16) . ?
C27 C32 1.371(13) . ?
C27 C28 1.406(15) . ?
C28 C29 1.352(18) . ?
C28 H28A 0.9500 . ?
C29 C30 1.375(18) . ?
C29 H29A 0.9500 . ?
C30 C31 1.414(18) . ?
C30 H30A 0.9500 . ?
C31 C32 1.393(16) . ?
C31 H31A 0.9500 . ?
C32 H32A 0.9500 . ?
C33 O7 1.436(15) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
N4 Ag1 2.171(9) 1_454 ?
O7 H7B 0.9000 . ?
O1W H1WA 0.8500 . ?
O1W H1WB 0.8500 . ?

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 N1 160.5(4) 1_656 . ?
O6 Cl1 O4 116.6(7) . . ?
O6 Cl1 O5 104.8(8) . . ?
O4 Cl1 O5 107.2(9) . . ?
O6 Cl1 O3 111.0(10) . . ?
O4 Cl1 O3 108.4(9) . . ?
O5 Cl1 O3 108.5(11) . . ?
N1 C1 C5 123.6(10) . . ?
N1 C1 H1A 118.2 . . ?
C5 C1 H1A 118.2 . . ?
N1 C2 C3 120.9(10) . . ?
N1 C2 H2A 119.5 . . ?
C3 C2 H2A 119.5 . . ?
C4 C3 C2 119.8(11) . . ?
C4 C3 H3A 120.1 . . ?
C2 C3 H3A 120.1 . . ?
C5 C4 C3 119.1(10) . . ?
C5 C4 H4A 120.5 . . ?
C3 C4 H4A 120.5 . . ?
C4 C5 C1 118.0(9) . . ?
C4 C5 C6 122.9(8) . . ?
C1 C5 C6 119.0(9) . . ?
N2 C6 C5 116.8(9) . . ?
N2 C6 H6A 108.1 . . ?
C5 C6 H6A 108.1 . . ?
N2 C6 H6B 108.1 . . ?
C5 C6 H6B 108.1 . . ?
H6A C6 H6B 107.3 . . ?
N2 C7 C12 113.1(7) . . ?
N2 C7 C8 111.9(8) . . ?
C12 C7 C8 110.2(9) . . ?
N2 C7 H7A 107.1 . . ?
C12 C7 H7A 107.1 . . ?
C8 C7 H7A 107.1 . . ?
C9 C8 C7 110.1(9) . . ?
C9 C8 H8A 109.6 . . ?
C7 C8 H8A 109.6 . . ?
C9 C8 H8B 109.6 . . ?
C7 C8 H8B 109.6 . . ?
H8A C8 H8B 108.2 . . ?
C8 C9 C10 112.4(9) . . ?
C8 C9 H9A 109.1 . . ?
C10 C9 H9A 109.1 . . ?
C8 C9 H9B 109.1 . . ?
C10 C9 H9B 109.1 . . ?
H9A C9 H9B 107.9 . . ?
C11 C10 C9 111.0(9) . . ?
C11 C10 H10A 109.4 . . ?
C9 C10 H10A 109.4 . . ?
C11 C10 H10B 109.4 . . ?
C9 C10 H10B 109.4 . . ?
H10A C10 H10B 108.0 . . ?
C10 C11 C12 110.7(9) . . ?
C10 C11 H11A 109.5 . . ?
C12 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C12 C11 H11B 109.5 . . ?
H11A C11 H11B 108.1 . . ?
N3 C12 C7 112.4(8) . . ?
N3 C12 C11 113.4(8) . . ?
C7 C12 C11 110.0(8) . . ?
N3 C12 H12A 106.8 . . ?
C7 C12 H12A 106.8 . . ?
C11 C12 H12A 106.8 . . ?
N3 C13 C14 113.5(8) . . ?
N3 C13 H13A 108.9 . . ?
C14 C13 H13A 108.9 . . ?
N3 C13 H13B 108.9 . . ?
C14 C13 H13B 108.9 . . ?
H13A C13 H13B 107.7 . . ?
C18 C14 C15 118.9(9) . . ?
C18 C14 C13 118.1(9) . . ?
C15 C14 C13 122.9(8) . . ?
C14 C15 C16 120.2(9) . . ?
C14 C15 H15A 119.9 . . ?
C16 C15 H15A 119.9 . . ?
C15 C16 C17 118.5(10) . . ?
C15 C16 H16A 120.7 . . ?
C17 C16 H16A 120.7 . . ?
N4 C17 C16 123.5(10) . . ?
N4 C17 H17A 118.2 . . ?
C16 C17 H17A 118.2 . . ?
C14 C18 N4 123.0(10) . . ?
C14 C18 H18A 118.5 . . ?
N4 C18 H18A 118.5 . . ?
O1 C19 N2 120.1(10) . . ?
O1 C19 C20 118.8(11) . . ?
N2 C19 C20 121.0(9) . . ?
C21 C20 C25 119.9(11) . . ?
C21 C20 C19 122.6(10) . . ?
C25 C20 C19 117.1(10) . . ?
C20 C21 C22 118.0(11) . . ?
C20 C21 H21A 121.0 . . ?
C22 C21 H21A 121.0 . . ?
C23 C22 C21 120.3(12) . . ?
C23 C22 H22A 119.9 . . ?
C21 C22 H22A 119.9 . . ?
C24 C23 C22 120.5(14) . . ?
C24 C23 H23A 119.8 . . ?
C22 C23 H23A 119.8 . . ?
C25 C24 C23 122.7(14) . . ?
C25 C24 H24A 118.6 . . ?
C23 C24 H24A 118.6 . . ?
C24 C25 C20 118.6(13) . . ?
C24 C25 H25A 120.7 . . ?
C20 C25 H25A 120.7 . . ?
O2 C26 N3 119.0(11) . . ?
O2 C26 C27 120.2(10) . . ?
N3 C26 C27 120.8(10) . . ?
C32 C27 C28 119.0(10) . . ?
C32 C27 C26 119.4(9) . . ?
C28 C27 C26 121.3(10) . . ?
C29 C28 C27 121.7(12) . . ?
C29 C28 H28A 119.1 . . ?
C27 C28 H28A 119.1 . . ?
C28 C29 C30 119.7(14) . . ?
C28 C29 H29A 120.2 . . ?
C30 C29 H29A 120.2 . . ?
C29 C30 C31 120.2(14) . . ?
C29 C30 H30A 119.9 . . ?
C31 C30 H30A 119.9 . . ?
C32 C31 C30 119.1(11) . . ?
C32 C31 H31A 120.5 . . ?
C30 C31 H31A 120.5 . . ?
C27 C32 C31 120.3(10) . . ?
C27 C32 H32A 119.9 . . ?
C31 C32 H32A 119.9 . . ?
O7 C33 H33A 109.5 . . ?
O7 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
O7 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C2 N1 C1 118.6(10) . . ?
C2 N1 Ag1 119.4(8) . . ?
C1 N1 Ag1 122.0(8) . . ?
C19 N2 C6 115.2(9) . . ?
C19 N2 C7 123.8(8) . . ?
C6 N2 C7 119.3(9) . . ?
C26 N3 C12 123.6(9) . . ?
C26 N3 C13 116.3(9) . . ?
C12 N3 C13 119.5(8) . . ?
C17 N4 C18 115.8(9) . . ?
C17 N4 Ag1 126.8(8) . 1_454 ?
C18 N4 Ag1 117.4(7) . 1_454 ?
C33 O7 H7B 125.0 . . ?
H1WA O1W H1WB 122.4 . . ?

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
O7 H7B O1W 0.90 2.28 2.753(13) 112.7 .
O1W H1WA O2 0.85 1.98 2.834(12) 179.2 1_556

_diffrn_measured_fraction_theta_max 0.978
_diffrn_reflns_theta_full        25.49
_diffrn_measured_fraction_theta_full 0.978
_refine_diff_density_max         2.062
_refine_diff_density_min         -0.972
_refine_diff_density_rms         0.117
_database_code_depnum_ccdc_archive 'CCDC 1013605'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_2b

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H32 Ag N4 O2, Cl O4, 3(H2 O)'
_chemical_formula_sum            'C32 H38 Ag Cl N4 O9'
_chemical_formula_weight         765.98
_chemical_absolute_configuration .

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'
Cl Cl 0.1484 0.1585 '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'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   P2(1)2(1)2(1)
_symmetry_space_group_name_Hall  'P 2ac 2ab'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   10.9131(16)
_cell_length_b                   13.0435(19)
_cell_length_c                   22.908(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     3260.8(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    895
_cell_measurement_theta_min      2.40
_cell_measurement_theta_max      28.0

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.29
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.560
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1576
_exptl_absorpt_coefficient_mu    0.761
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7929
_exptl_absorpt_correction_T_max  0.8096
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       'φ and ω scan'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            14967
_diffrn_reflns_av_R_equivalents  0.0740
_diffrn_reflns_av_sigmaI/netI    0.0917
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.07
_diffrn_reflns_theta_max         25.10
_reflns_number_total             5591
_reflns_number_gt                4214
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 2000)'
_computing_cell_refinement       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    
;
ORTEPIII (Burnett & Johnson, 1996); ORTEP-3 for Windows (Farrugia, 1997);
PLATON (Spek, 2009)
;
_computing_publication_material  'SHELXTL (Bruker, 2000)'

_refine_special_details          
; 
All the perchlorate anion and free water molecules were badly disordered.
Cl-O length, as well as O-Cl-O bond angle of the disordered 
perchlorate were restrained to chemically reasonable 
using the DFIX commands on SHELXL-97 with the Cl-O distance of 1.44 Å
and the O-O distance of 2.35 Å. Isotropic thermal parameters were applied to 
all the O atoms of the three disordered water molecules.
The disordered perchlorate were restrained as 
the same thermal displacement parameter, respectively, 
using the EADP command on SHELXL-97.


 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0101P)²+21.8553P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.04(7)
_refine_ls_number_reflns         5591
_refine_ls_number_parameters     400
_refine_ls_number_restraints     46
_refine_ls_R_factor_all          0.0984
_refine_ls_R_factor_gt           0.0748
_refine_ls_wR_factor_ref         0.1693
_refine_ls_wR_factor_gt          0.1560
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_restrained_S_all      1.238
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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 -0.51815(9) -0.28121(7) -0.03579(4) 0.0490(3) Uani 1 1 d U . .
Cl1 Cl -0.3165(7) -0.1169(5) 0.0154(3) 0.1284(14) Uani 1 1 d D . .
C1 C -0.5138(11) -0.4509(6) 0.0561(4) 0.030(2) Uani 1 1 d . . .
H1A H -0.5983 -0.4336 0.0571 0.036 Uiso 1 1 calc R . .
C2 C -0.3211(12) -0.4257(9) 0.0164(5) 0.044(3) Uani 1 1 d . . .
H2A H -0.2686 -0.3889 -0.0092 0.053 Uiso 1 1 calc R . .
C3 C -0.2749(10) -0.5007(8) 0.0509(4) 0.035(3) Uani 1 1 d . . .
H3A H -0.1913 -0.5199 0.0472 0.042 Uiso 1 1 calc R . .
C4 C -0.3479(9) -0.5487(8) 0.0908(4) 0.032(2) Uani 1 1 d . . .
H4A H -0.3137 -0.5984 0.1164 0.039 Uiso 1 1 calc R . .
C5 C -0.4709(11) -0.5254(7) 0.0943(4) 0.031(2) Uani 1 1 d . . .
C6 C -0.5620(9) -0.5744(8) 0.1354(5) 0.034(2) Uani 1 1 d . . .
H6A H -0.6017 -0.5196 0.1586 0.041 Uiso 1 1 calc R . .
H6B H -0.6266 -0.6080 0.1118 0.041 Uiso 1 1 calc R . .
C7 C -0.4572(11) -0.6102(8) 0.2233(4) 0.038(3) Uani 1 1 d . . .
C8 C -0.3914(10) -0.6819(8) 0.2659(5) 0.034(3) Uani 1 1 d . . .
C9 C -0.3035(10) -0.7516(8) 0.2477(5) 0.038(3) Uani 1 1 d . . .
H9A H -0.2824 -0.7585 0.2076 0.045 Uiso 1 1 calc R . .
C10 C -0.2469(10) -0.8117(9) 0.2908(6) 0.044(3) Uani 1 1 d . . .
H10A H -0.1867 -0.8602 0.2793 0.053 Uiso 1 1 calc R . .
C11 C -0.2749(12) -0.8030(9) 0.3483(6) 0.048(3) Uani 1 1 d . . .
H11A H -0.2353 -0.8453 0.3762 0.058 Uiso 1 1 calc R . .
C12 C -0.3621(11) -0.7317(10) 0.3659(5) 0.045(3) Uani 1 1 d . . .
H12A H -0.3827 -0.7255 0.4061 0.053 Uiso 1 1 calc R . .
C13 C -0.4183(10) -0.6703(8) 0.3251(5) 0.034(3) Uani 1 1 d . . .
H13A H -0.4756 -0.6198 0.3372 0.041 Uiso 1 1 calc R . .
C14 C -0.5297(10) -0.7607(7) 0.1632(4) 0.031(2) Uani 1 1 d . . .
H14A H -0.4917 -0.8003 0.1959 0.037 Uiso 1 1 calc R . .
C15 C -0.4713(11) -0.7950(8) 0.1066(4) 0.040(2) Uani 1 1 d . . .
H15A H -0.5066 -0.7551 0.0739 0.048 Uiso 1 1 calc R . .
H15B H -0.3823 -0.7807 0.1080 0.048 Uiso 1 1 calc R . .
C16 C -0.4907(13) -0.9077(8) 0.0953(5) 0.047(3) Uani 1 1 d . . .
H16A H -0.4489 -0.9486 0.1257 0.057 Uiso 1 1 calc R . .
H16B H -0.4557 -0.9265 0.0569 0.057 Uiso 1 1 calc R . .
C17 C -0.6319(14) -0.9311(10) 0.0960(5) 0.056(4) Uani 1 1 d . . .
H17A H -0.6717 -0.8950 0.0631 0.067 Uiso 1 1 calc R . .
H17B H -0.6448 -1.0056 0.0905 0.067 Uiso 1 1 calc R . .
C18 C -0.6889(11) -0.8990(9) 0.1506(5) 0.041(3) Uani 1 1 d . . .
H18A H -0.6531 -0.9388 0.1833 0.049 Uiso 1 1 calc R . .
H18B H -0.7777 -0.9142 0.1491 0.049 Uiso 1 1 calc R . .
C19 C -0.6704(9) -0.7849(9) 0.1619(4) 0.033(2) Uani 1 1 d . . .
H19A H -0.7065 -0.7469 0.1281 0.039 Uiso 1 1 calc R . .
C20 C -0.8278(12) -0.6824(10) 0.2081(6) 0.057(4) Uani 1 1 d . . .
C21 C -0.8716(12) -0.6301(9) 0.2605(6) 0.051(4) Uani 1 1 d . . .
C22 C -0.8003(14) -0.5564(11) 0.2885(7) 0.068(5) Uani 1 1 d . . .
H22A H -0.7193 -0.5437 0.2751 0.081 Uiso 1 1 calc R . .
C23 C -0.8457(16) -0.5008(11) 0.3361(9) 0.080(5) Uani 1 1 d . . .
H23A H -0.7944 -0.4535 0.3561 0.095 Uiso 1 1 calc R . .
C24 C -0.9668(15) -0.5151(12) 0.3542(8) 0.076(5) Uani 1 1 d . . .
H24A H -1.0005 -0.4757 0.3851 0.092 Uiso 1 1 calc R . .
C25 C -1.0364(15) -0.5887(11) 0.3254(8) 0.077(5) Uani 1 1 d . . .
H25A H -1.1169 -0.6026 0.3391 0.092 Uiso 1 1 calc R . .
C26 C -0.9950(13) -0.6403(9) 0.2796(6) 0.056(3) Uani 1 1 d . . .
H26A H -1.0488 -0.6849 0.2592 0.067 Uiso 1 1 calc R . .
C27 C -0.6871(9) -0.7842(9) 0.2732(4) 0.032(2) Uani 1 1 d . . .
H27A H -0.6224 -0.8362 0.2668 0.039 Uiso 1 1 calc R . .
H27B H -0.6495 -0.7260 0.2945 0.039 Uiso 1 1 calc R . .
C28 C -0.7838(9) -0.8296(8) 0.3103(5) 0.026(2) Uani 1 1 d . . .
C29 C -0.8487(11) -0.9193(8) 0.2948(5) 0.033(3) Uani 1 1 d . . .
H29A H -0.8305 -0.9541 0.2594 0.040 Uiso 1 1 calc R . .
C30 C -0.9378(11) -0.9554(8) 0.3313(5) 0.039(3) Uani 1 1 d . . .
H30A H -0.9789 -1.0175 0.3220 0.047 Uiso 1 1 calc R . .
C31 C -0.9685(10) -0.9038(8) 0.3806(4) 0.033(2) Uani 1 1 d . . .
H31A H -1.0326 -0.9300 0.4045 0.039 Uiso 1 1 calc R . .
C32 C -0.8204(10) -0.7826(9) 0.3611(4) 0.035(2) Uani 1 1 d . . .
H32A H -0.7792 -0.7214 0.3721 0.042 Uiso 1 1 calc R . .
N1 N -0.4425(11) -0.4032(8) 0.0184(4) 0.0556(12) Uani 1 1 d U . .
N2 N -0.5115(8) -0.6488(5) 0.1749(3) 0.0296(18) Uani 1 1 d . . .
N3 N -0.7310(8) -0.7470(6) 0.2155(4) 0.035(2) Uani 1 1 d . . .
N4 N -0.9117(8) -0.8174(7) 0.3970(4) 0.034(2) Uani 1 1 d . . .
O1 O -0.4578(8) -0.5183(5) 0.2332(3) 0.043(2) Uani 1 1 d . . .
O2 O -0.8774(9) -0.6686(10) 0.1603(4) 0.083(4) Uani 1 1 d . . .
O3 O -0.2695(12) -0.1995(9) -0.0157(6) 0.1284(14) Uani 1 1 d D . .
O4 O -0.2277(12) -0.0734(11) 0.0528(6) 0.1284(14) Uani 1 1 d D . .
O5 O -0.4272(11) -0.1380(11) 0.0415(6) 0.1284(14) Uani 1 1 d DU . .
O6 O -0.3239(13) -0.0342(10) -0.0262(6) 0.1284(14) Uani 1 1 d D . .
O1W O -1.1381(14) -0.7237(13) 0.1242(7) 0.139(5) Uani 1 1 d U . .
H1WA H -1.0655 -0.7079 0.1343 0.167 Uiso 1 1 d R . .
H1WB H -1.1523 -0.7595 0.0940 0.167 Uiso 1 1 d R . .
O2W O -0.6794(19) -0.6551(16) -0.0184(9) 0.186(8) Uani 1 1 d U . .
H2WA H -0.7398 -0.6779 0.0012 0.223 Uiso 1 1 d R . .
H2WB H -0.6946 -0.5934 -0.0278 0.223 Uiso 1 1 d R . .
O3W O -0.881(2) -0.789(2) 0.0397(10) 0.225(9) Uani 1 1 d U . .
H3WA H -0.8789 -0.7568 0.0720 0.270 Uiso 1 1 d R . .
H3WB H -0.9440 -0.7737 0.0599 0.270 Uiso 1 1 d R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds 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 N4 2.148(8) 2_344 ?
Ag1 N1 2.181(10) . ?
Cl1 O5 1.376(9) . ?
Cl1 O3 1.390(9) . ?
Cl1 O4 1.412(9) . ?
Cl1 O6 1.442(9) . ?
C1 N1 1.318(13) . ?
C1 C5 1.390(13) . ?
C1 H1A 0.9500 . ?
C2 C3 1.354(15) . ?
C2 N1 1.357(16) . ?
C2 H2A 0.9500 . ?
C3 C4 1.366(15) . ?
C3 H3A 0.9500 . ?
C4 C5 1.379(16) . ?
C4 H4A 0.9500 . ?
C5 C6 1.510(15) . ?
C6 N2 1.438(12) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 O1 1.220(12) . ?
C7 N2 1.355(13) . ?
C7 C8 1.531(15) . ?
C8 C9 1.386(15) . ?
C8 C13 1.396(15) . ?
C9 C10 1.404(16) . ?
C9 H9A 0.9500 . ?
C10 C11 1.356(17) . ?
C10 H10A 0.9500 . ?
C11 C12 1.390(17) . ?
C11 H11A 0.9500 . ?
C12 C13 1.377(15) . ?
C12 H12A 0.9500 . ?
C13 H13A 0.9500 . ?
C14 N2 1.496(11) . ?
C14 C15 1.513(13) . ?
C14 C19 1.568(15) . ?
C14 H14A 1.0000 . ?
C15 C16 1.507(15) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.57(2) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.459(17) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.525(15) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 N3 1.479(13) . ?
C19 H19A 1.0000 . ?
C20 O2 1.236(16) . ?
C20 N3 1.362(15) . ?
C20 C21 1.461(19) . ?
C21 C22 1.39(2) . ?
C21 C26 1.422(18) . ?
C22 C23 1.40(2) . ?
C22 H22A 0.9500 . ?
C23 C24 1.40(2) . ?
C23 H23A 0.9500 . ?
C24 C25 1.39(2) . ?
C24 H24A 0.9500 . ?
C25 C26 1.325(19) . ?
C25 H25A 0.9500 . ?
C26 H26A 0.9500 . ?
C27 C28 1.479(14) . ?
C27 N3 1.488(12) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C32 1.373(14) . ?
C28 C29 1.414(14) . ?
C29 C30 1.367(15) . ?
C29 H29A 0.9500 . ?
C30 C31 1.357(14) . ?
C30 H30A 0.9500 . ?
C31 N4 1.340(13) . ?
C31 H31A 0.9500 . ?
C32 N4 1.369(13) . ?
C32 H32A 0.9500 . ?
N4 Ag1 2.148(8) 2_345 ?
O1W H1WA 0.8500 . ?
O1W H1WB 0.8499 . ?
O2W H2WA 0.8500 . ?
O2W H2WB 0.8500 . ?
O3W H3WA 0.8492 . ?
O3W H3WB 0.8495 . ?

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 N1 168.6(4) 2_344 . ?
O5 Cl1 O3 113.1(9) . . ?
O5 Cl1 O4 114.8(9) . . ?
O3 Cl1 O4 111.7(9) . . ?
O5 Cl1 O6 112.8(9) . . ?
O3 Cl1 O6 105.2(9) . . ?
O4 Cl1 O6 98.0(9) . . ?
N1 C1 C5 122.9(11) . . ?
N1 C1 H1A 118.5 . . ?
C5 C1 H1A 118.5 . . ?
C3 C2 N1 120.0(11) . . ?
C3 C2 H2A 120.0 . . ?
N1 C2 H2A 120.0 . . ?
C2 C3 C4 120.4(11) . . ?
C2 C3 H3A 119.8 . . ?
C4 C3 H3A 119.8 . . ?
C3 C4 C5 120.3(10) . . ?
C3 C4 H4A 119.8 . . ?
C5 C4 H4A 119.8 . . ?
C4 C5 C1 116.5(10) . . ?
C4 C5 C6 125.7(9) . . ?
C1 C5 C6 117.8(10) . . ?
N2 C6 C5 115.2(8) . . ?
N2 C6 H6A 108.5 . . ?
C5 C6 H6A 108.5 . . ?
N2 C6 H6B 108.5 . . ?
C5 C6 H6B 108.5 . . ?
H6A C6 H6B 107.5 . . ?
O1 C7 N2 121.1(9) . . ?
O1 C7 C8 119.0(10) . . ?
N2 C7 C8 119.9(9) . . ?
C9 C8 C13 120.6(10) . . ?
C9 C8 C7 122.3(10) . . ?
C13 C8 C7 117.0(10) . . ?
C8 C9 C10 117.3(11) . . ?
C8 C9 H9A 121.4 . . ?
C10 C9 H9A 121.4 . . ?
C11 C10 C9 122.5(11) . . ?
C11 C10 H10A 118.7 . . ?
C9 C10 H10A 118.7 . . ?
C10 C11 C12 119.5(11) . . ?
C10 C11 H11A 120.2 . . ?
C12 C11 H11A 120.2 . . ?
C13 C12 C11 119.7(11) . . ?
C13 C12 H12A 120.1 . . ?
C11 C12 H12A 120.1 . . ?
C12 C13 C8 120.2(10) . . ?
C12 C13 H13A 119.9 . . ?
C8 C13 H13A 119.9 . . ?
N2 C14 C15 112.8(8) . . ?
N2 C14 C19 109.2(9) . . ?
C15 C14 C19 109.7(8) . . ?
N2 C14 H14A 108.3 . . ?
C15 C14 H14A 108.3 . . ?
C19 C14 H14A 108.3 . . ?
C16 C15 C14 112.1(9) . . ?
C16 C15 H15A 109.2 . . ?
C14 C15 H15A 109.2 . . ?
C16 C15 H15B 109.2 . . ?
C14 C15 H15B 109.2 . . ?
H15A C15 H15B 107.9 . . ?
C15 C16 C17 109.1(10) . . ?
C15 C16 H16A 109.9 . . ?
C17 C16 H16A 109.9 . . ?
C15 C16 H16B 109.9 . . ?
C17 C16 H16B 109.9 . . ?
H16A C16 H16B 108.3 . . ?
C18 C17 C16 111.8(10) . . ?
C18 C17 H17A 109.3 . . ?
C16 C17 H17A 109.3 . . ?
C18 C17 H17B 109.3 . . ?
C16 C17 H17B 109.3 . . ?
H17A C17 H17B 107.9 . . ?
C17 C18 C19 111.7(10) . . ?
C17 C18 H18A 109.3 . . ?
C19 C18 H18A 109.3 . . ?
C17 C18 H18B 109.3 . . ?
C19 C18 H18B 109.3 . . ?
H18A C18 H18B 107.9 . . ?
N3 C19 C18 114.1(9) . . ?
N3 C19 C14 110.8(8) . . ?
C18 C19 C14 109.3(9) . . ?
N3 C19 H19A 107.5 . . ?
C18 C19 H19A 107.5 . . ?
C14 C19 H19A 107.5 . . ?
O2 C20 N3 122.7(13) . . ?
O2 C20 C21 121.1(12) . . ?
N3 C20 C21 116.2(11) . . ?
C22 C21 C26 116.8(13) . . ?
C22 C21 C20 121.2(12) . . ?
C26 C21 C20 121.3(14) . . ?
C21 C22 C23 121.2(14) . . ?
C21 C22 H22A 119.4 . . ?
C23 C22 H22A 119.4 . . ?
C24 C23 C22 119.7(17) . . ?
C24 C23 H23A 120.1 . . ?
C22 C23 H23A 120.1 . . ?
C25 C24 C23 118.0(15) . . ?
C25 C24 H24A 121.0 . . ?
C23 C24 H24A 121.0 . . ?
C26 C25 C24 122.6(14) . . ?
C26 C25 H25A 118.7 . . ?
C24 C25 H25A 118.7 . . ?
C25 C26 C21 121.3(15) . . ?
C25 C26 H26A 119.4 . . ?
C21 C26 H26A 119.4 . . ?
C28 C27 N3 114.3(8) . . ?
C28 C27 H27A 108.7 . . ?
N3 C27 H27A 108.7 . . ?
C28 C27 H27B 108.7 . . ?
N3 C27 H27B 108.7 . . ?
H27A C27 H27B 107.6 . . ?
C32 C28 C29 115.9(10) . . ?
C32 C28 C27 121.0(9) . . ?
C29 C28 C27 123.0(10) . . ?
C30 C29 C28 119.1(10) . . ?
C30 C29 H29A 120.4 . . ?
C28 C29 H29A 120.4 . . ?
C31 C30 C29 121.0(10) . . ?
C31 C30 H30A 119.5 . . ?
C29 C30 H30A 119.5 . . ?
N4 C31 C30 122.4(10) . . ?
N4 C31 H31A 118.8 . . ?
C30 C31 H31A 118.8 . . ?
N4 C32 C28 124.9(10) . . ?
N4 C32 H32A 117.6 . . ?
C28 C32 H32A 117.6 . . ?
C1 N1 C2 119.8(10) . . ?
C1 N1 Ag1 119.6(9) . . ?
C2 N1 Ag1 120.5(8) . . ?
C7 N2 C6 115.6(8) . . ?
C7 N2 C14 124.6(8) . . ?
C6 N2 C14 119.7(8) . . ?
C20 N3 C19 116.8(9) . . ?
C20 N3 C27 124.2(9) . . ?
C19 N3 C27 119.0(8) . . ?
C31 N4 C32 116.6(9) . . ?
C31 N4 Ag1 122.6(7) . 2_345 ?
C32 N4 Ag1 119.4(7) . 2_345 ?
H1WA O1W H1WB 121.6 . . ?
H2WA O2W H2WB 108.3 . . ?
H3WA O3W H3WB 55.7 . . ?

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
O1W H1WA O2 0.85 2.20 3.048(19) 179.5 .
O1W H1WB O2W 0.85 2.08 2.93(3) 177.4 4_435
O2W H2WA O3W 0.85 2.29 3.11(3) 160.9 .
O2W H2WB O4 0.85 2.28 3.13(2) 177.8 4_445
O2W H2WB O6 0.85 2.51 3.10(2) 127.7 4_445
O3W H3WA O2 0.85 2.33 3.18(3) 178.7 .
O3W H3WB O1W 0.85 2.66 3.51(3) 178.9 .

_diffrn_measured_fraction_theta_max 0.972
_diffrn_reflns_theta_full        25.10
_diffrn_measured_fraction_theta_full 0.972
_refine_diff_density_max         0.984
_refine_diff_density_min         -1.199
_refine_diff_density_rms         0.116

#===============================END


_database_code_depnum_ccdc_archive 'CCDC 1013606'
