# Electronic Supplementary Material (ESI) for CrystEngComm
# This journal is © The Royal Society of Chemistry 2011


data_global
_journal_name_full               CrystEngComm
_journal_coden_cambridge         1350
#TrackingRef 'web_deposit_cif_file_0_DiSun_1318300090.p1-2.cif'

_audit_update_record             
;
2011-09-21 # Formatted by publCIF
;

#====================================================================

# 1. SUBMISSION DETAILS

_publ_contact_author             
# Name and address of author for correspondence
;
Huang, Rongbin
State Key Laboratory for Physical Chemistry of Solid Surfaces,
and Department of Chemistry,
College of Chemistry and Chemical Engineering,
Xiamen University, Xiamen, 361005, China
;
_publ_contact_author_phone       86-592-2185191
_publ_contact_author_fax         86-592-2183047
_publ_contact_author_email       rbhuang@xmu.edu.cn
_publ_requested_coeditor_name    ?
_publ_contact_letter             
;

;
#=================================================================

# 2. PROCESSING SUMMARY (IUCr Office Use Only)

# 3. TITLE AND AUTHOR LIST

_publ_section_title              
;
3D-3D interpenetrated and 2D-3D polycatenated Ag(I) networks
constructed from 1,4-bis(2-methylimidazol-1-ylmethyl)benzene and dicarboxylates
;

loop_
_publ_author_address

;
State Key Laboratory for Physical Chemistry of Solid Surfaces,
and Department of Chemistry,
College of Chemistry and Chemical Engineering,
Xiamen University, Xiamen, 361005, China
;
;
School of Chemistry and Chemical Engineering,
Shandong University,
Jinan, 250100,
People's Republic of China
;
;
State Key Laboratory for Physical Chemistry of Solid Surfaces,
and Department of Chemistry,
College of Chemistry and Chemical Engineering,
Xiamen University, Xiamen, 361005, China
;
;
State Key Laboratory for Physical Chemistry of Solid Surfaces,
and Department of Chemistry,
College of Chemistry and Chemical Engineering,
Xiamen University, Xiamen, 361005, China
;

_publ_section_exptl_refinement   
;
?
;
_publ_contact_author_name        'Huang, Rongbin'
_publ_author_name                'Rong-Bin Huang'

data_p1
_database_code_depnum_ccdc_archive 'CCDC 845056'
#TrackingRef 'web_deposit_cif_file_0_DiSun_1318300090.p1-2.cif'

_audit_update_record             
;
2011-09-12 # Formatted by publCIF
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H29 Ag2 N8 O4, 2(H2 O), O '
_chemical_formula_sum            'C30 H33 Ag2 N8 O7'
_chemical_formula_weight         833.38

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           monoclinic
_symmetry_space_group_name_H-M   C2/c

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

_cell_length_a                   25.317(12)
_cell_length_b                   9.877(5)
_cell_length_c                   26.864(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 104.382(16)
_cell_angle_gamma                90.00
_cell_volume                     6507(5)
_cell_formula_units_Z            8
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    5089
_cell_measurement_theta_min      4.443
_cell_measurement_theta_max      55.624

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.701
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3352
_exptl_absorpt_coefficient_mu    1.263
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7863
_exptl_absorpt_correction_T_max  0.7863
_exptl_absorpt_process_details   'SADABS (Bruker, 2002)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      173(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 CCD'
_diffrn_measurement_method       '\f and \w'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            16771
_diffrn_reflns_av_R_equivalents  0.0337
_diffrn_reflns_av_sigmaI/netI    0.0404
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         1.57
_diffrn_reflns_theta_max         25.00
_reflns_number_total             5707
_reflns_number_gt                5032
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 2002)'
_computing_cell_refinement       'SMART (Bruker, 2002)'
_computing_data_reduction        'SAINT (Bruker, 2002)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  SHELXTL

_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^ > 2sigma(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.
;

_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^)+(0.0759P)^2^+61.6683P] where P=(Fo^2^+2Fc^2^)/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_number_reflns         5707
_refine_ls_number_parameters     436
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.0755
_refine_ls_R_factor_gt           0.0671
_refine_ls_wR_factor_ref         0.1698
_refine_ls_wR_factor_gt          0.1640
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_restrained_S_all      1.120
_refine_ls_shift/su_max          0.001
_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 0.65537(2) 0.92401(6) 0.66775(2) 0.0420(2) Uani 1 1 d . . .
Ag2 Ag 0.61509(2) 0.66003(7) 0.87133(2) 0.0497(2) Uani 1 1 d . . .
C1 C 0.6790(3) 0.6470(8) 1.1116(3) 0.0398(17) Uani 1 1 d . . .
C2 C 0.6418(3) 0.7422(8) 1.1144(3) 0.0442(18) Uani 1 1 d . . .
H2A H 0.6379 0.8190 1.0925 0.053 Uiso 1 1 calc R . .
C3 C 0.6096(3) 0.7309(8) 1.1482(3) 0.049(2) Uani 1 1 d . . .
H3A H 0.5838 0.8001 1.1492 0.059 Uiso 1 1 calc R . .
C4 C 0.6135(3) 0.6236(9) 1.1803(3) 0.0440(18) Uani 1 1 d . . .
C5 C 0.6496(4) 0.5263(13) 1.1761(4) 0.081(3) Uani 1 1 d U . .
H5A H 0.6526 0.4474 1.1969 0.098 Uiso 1 1 calc R . .
C6 C 0.6823(5) 0.5402(12) 1.1418(4) 0.079(3) Uani 1 1 d U . .
H6A H 0.7078 0.4709 1.1401 0.095 Uiso 1 1 calc R . .
C7 C 0.7193(3) 0.6653(9) 1.0789(3) 0.0459(19) Uani 1 1 d . . .
H7B H 0.7492 0.7249 1.0973 0.055 Uiso 1 1 calc R . .
H7C H 0.7353 0.5762 1.0743 0.055 Uiso 1 1 calc R . .
C8 C 0.6950(3) 0.8553(9) 1.0159(3) 0.0409(17) Uani 1 1 d . . .
H8A H 0.7108 0.9275 1.0379 0.049 Uiso 1 1 calc R . .
C9 C 0.6683(3) 0.8655(9) 0.9661(3) 0.0418(17) Uani 1 1 d . . .
H9A H 0.6621 0.9470 0.9467 0.050 Uiso 1 1 calc R . .
C10 C 0.6680(3) 0.6541(8) 0.9871(3) 0.0402(17) Uani 1 1 d . . .
C11 C 0.6576(4) 0.5084(10) 0.9861(4) 0.069(3) Uani 1 1 d . . .
H11A H 0.6392 0.4807 0.9510 0.104 Uiso 1 1 calc R . .
H11B H 0.6343 0.4871 1.0092 0.104 Uiso 1 1 calc R . .
H11C H 0.6922 0.4596 0.9972 0.104 Uiso 1 1 calc R . .
C12 C 0.5813(3) 0.6153(9) 1.2199(3) 0.0468(19) Uani 1 1 d . . .
H12A H 0.5967 0.5432 1.2448 0.056 Uiso 1 1 calc R . .
H12B H 0.5844 0.7021 1.2388 0.056 Uiso 1 1 calc R . .
C13 C 0.4836(4) 0.6862(9) 1.1814(4) 0.058(2) Uani 1 1 d . . .
H13A H 0.4883 0.7814 1.1853 0.069 Uiso 1 1 calc R . .
C14 C 0.4394(4) 0.6249(9) 1.1608(3) 0.057(2) Uani 1 1 d . . .
H14A H 0.4057 0.6684 1.1458 0.068 Uiso 1 1 calc R . .
C15 C 0.4984(3) 0.4723(10) 1.1838(3) 0.054(2) Uani 1 1 d . . .
C16 C 0.5266(5) 0.3397(11) 1.1940(5) 0.098(4) Uani 1 1 d . . .
H16A H 0.5004 0.2701 1.1982 0.147 Uiso 1 1 calc R . .
H16B H 0.5560 0.3457 1.2254 0.147 Uiso 1 1 calc R . .
H16C H 0.5419 0.3158 1.1650 0.147 Uiso 1 1 calc R . .
C21 C 0.4944(4) 0.5661(8) 0.5432(3) 0.058(2) Uani 1 1 d . . .
H21A H 0.4911 0.6103 0.5737 0.069 Uiso 1 1 calc R . .
C22 C 0.4919(3) 0.6409(7) 0.4995(3) 0.0384(17) Uani 1 1 d . . .
C23 C 0.4982(4) 0.5730(8) 0.4565(3) 0.058(2) Uani 1 1 d . . .
H23A H 0.4976 0.6227 0.4261 0.070 Uiso 1 1 calc R . .
C24 C 0.4829(3) 0.7911(8) 0.4986(3) 0.0472(19) Uani 1 1 d . . .
H24A H 0.4958 0.8307 0.4699 0.057 Uiso 1 1 calc R . .
H24B H 0.4434 0.8095 0.4921 0.057 Uiso 1 1 calc R . .
C25 C 0.4865(3) 0.9102(7) 0.5824(3) 0.0416(17) Uani 1 1 d . . .
H25A H 0.4484 0.9180 0.5795 0.050 Uiso 1 1 calc R . .
C26 C 0.5268(3) 0.9485(7) 0.6222(3) 0.0377(16) Uani 1 1 d . . .
H26A H 0.5220 0.9899 0.6527 0.045 Uiso 1 1 calc R . .
C27 C 0.5650(3) 0.8647(7) 0.5659(3) 0.0349(15) Uani 1 1 d . . .
C28 C 0.6058(4) 0.8194(10) 0.5387(4) 0.070(3) Uani 1 1 d . . .
H28A H 0.6406 0.8645 0.5535 0.105 Uiso 1 1 calc R . .
H28B H 0.5933 0.8425 0.5022 0.105 Uiso 1 1 calc R . .
H28C H 0.6105 0.7211 0.5424 0.105 Uiso 1 1 calc R . .
C31 C 0.7649(3) 0.7276(7) 0.7095(3) 0.0371(16) Uani 1 1 d . . .
H31A H 0.7725 0.7574 0.6784 0.045 Uiso 1 1 calc R . .
C32 C 0.7997(3) 0.6390(6) 0.7408(3) 0.0355(16) Uani 1 1 d . . .
H32A H 0.8328 0.6150 0.7325 0.043 Uiso 1 1 calc R . .
C33 C 0.7431(3) 0.6239(6) 0.7948(3) 0.0305(14) Uani 1 1 d . . .
C34 C 0.7105(2) 0.7276(6) 0.7662(2) 0.0286(14) Uani 1 1 d . . .
C35 C 0.7263(3) 0.5414(7) 0.8360(3) 0.0350(15) Uani 1 1 d . . .
C36 C 0.6648(3) 0.7990(7) 0.7836(3) 0.0345(15) Uani 1 1 d . . .
N1 N 0.6952(2) 0.7231(7) 1.0287(2) 0.0394(14) Uani 1 1 d . . .
N2 N 0.6516(2) 0.7387(7) 0.9478(2) 0.0417(15) Uani 1 1 d . . .
N3 N 0.5244(3) 0.5868(8) 1.1973(3) 0.0544(19) Uani 1 1 d . . .
N4 N 0.4472(3) 0.4834(8) 1.1633(3) 0.0547(18) Uani 1 1 d . . .
N5 N 0.5111(2) 0.8571(6) 0.5464(2) 0.0357(13) Uani 1 1 d . . .
N6 N 0.5762(2) 0.9185(6) 0.6122(2) 0.0344(13) Uani 1 1 d . . .
N7 N 0.7883(2) 0.5863(5) 0.7818(2) 0.0317(12) Uani 1 1 d . . .
N8 N 0.7200(2) 0.7729(5) 0.7228(2) 0.0325(12) Uani 1 1 d . . .
O1 O 0.7631(2) 0.4981(5) 0.8717(2) 0.0466(13) Uani 1 1 d . . .
O1W O 0.5549(2) 1.0351(6) 0.7597(3) 0.0614(16) Uani 1 1 d . . .
H1WA H 0.5722 0.9717 0.7493 0.074 Uiso 1 1 d R . .
H1WB H 0.5717 1.0545 0.7903 0.074 Uiso 1 1 d R . .
O2 O 0.6769(2) 0.5189(5) 0.8284(2) 0.0463(13) Uani 1 1 d . . .
O2W O 0.6255(4) 1.0514(8) 0.8576(3) 0.104(3) Uani 1 1 d . . .
H2WA H 0.6495 1.1092 0.8715 0.125 Uiso 1 1 d R . .
H2WB H 0.6416 0.9816 0.8500 0.125 Uiso 1 1 d R . .
O3 O 0.67229(19) 0.8166(5) 0.83063(18) 0.0390(11) Uani 1 1 d . . .
O3W O 0.7640(11) 1.280(3) 0.9743(10) 0.105(8) Uani 0.35 1 d PU . .
O4 O 0.62550(19) 0.8366(5) 0.74874(19) 0.0426(12) Uani 1 1 d . . .
O3W' O 0.6978(7) 1.2661(15) 0.9023(6) 0.118(5) Uani 0.65 1 d PU . .

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 0.0315(3) 0.0388(3) 0.0457(4) -0.0013(2) -0.0090(2) -0.0048(2)
Ag2 0.0416(4) 0.0671(4) 0.0359(3) -0.0166(3) 0.0010(3) -0.0027(3)
C1 0.026(3) 0.068(5) 0.023(3) 0.008(3) 0.000(3) 0.008(3)
C2 0.039(4) 0.042(4) 0.057(5) -0.004(4) 0.022(4) -0.007(3)
C3 0.051(5) 0.034(4) 0.072(6) -0.012(4) 0.035(4) -0.005(4)
C4 0.028(4) 0.075(5) 0.026(4) -0.007(4) 0.001(3) 0.000(4)
C5 0.081(5) 0.095(5) 0.075(5) 0.026(4) 0.031(4) 0.022(4)
C6 0.076(5) 0.093(5) 0.077(5) 0.023(4) 0.033(4) 0.030(4)
C7 0.029(4) 0.080(6) 0.028(4) 0.000(4) 0.005(3) 0.014(4)
C8 0.032(4) 0.061(5) 0.030(4) -0.012(3) 0.010(3) -0.006(3)
C9 0.032(4) 0.056(5) 0.038(4) -0.002(4) 0.010(3) -0.004(3)
C10 0.032(4) 0.059(5) 0.032(4) -0.008(3) 0.012(3) 0.008(3)
C11 0.081(7) 0.070(6) 0.051(5) -0.005(5) 0.003(5) 0.017(5)
C12 0.030(4) 0.077(6) 0.033(4) -0.009(4) 0.006(3) -0.014(4)
C13 0.068(6) 0.042(5) 0.071(6) 0.008(4) 0.033(5) 0.008(5)
C14 0.073(6) 0.053(5) 0.046(5) 0.004(4) 0.018(5) 0.028(5)
C15 0.049(5) 0.072(6) 0.042(5) -0.012(4) 0.011(4) 0.001(4)
C16 0.097(9) 0.059(6) 0.115(10) -0.011(6) -0.015(7) 0.048(6)
C21 0.103(7) 0.043(4) 0.027(4) -0.005(3) 0.016(4) -0.013(5)
C22 0.041(4) 0.037(4) 0.030(4) -0.007(3) -0.005(3) -0.017(3)
C23 0.100(7) 0.044(5) 0.030(4) 0.004(3) 0.014(4) -0.010(5)
C24 0.048(5) 0.043(4) 0.038(4) -0.004(3) -0.013(3) -0.009(4)
C25 0.032(4) 0.042(4) 0.049(4) -0.003(3) 0.006(3) -0.004(3)
C26 0.039(4) 0.035(4) 0.038(4) -0.003(3) 0.008(3) -0.008(3)
C27 0.031(4) 0.032(4) 0.037(4) 0.000(3) 0.001(3) -0.004(3)
C28 0.055(6) 0.074(6) 0.085(7) -0.035(6) 0.025(5) -0.013(5)
C31 0.042(4) 0.032(4) 0.038(4) -0.002(3) 0.011(3) 0.000(3)
C32 0.031(3) 0.025(3) 0.051(4) -0.002(3) 0.011(3) 0.000(3)
C33 0.025(3) 0.026(3) 0.034(4) -0.005(3) -0.005(3) -0.004(3)
C34 0.023(3) 0.024(3) 0.034(4) -0.006(3) -0.002(3) -0.002(3)
C35 0.042(4) 0.027(3) 0.035(4) -0.007(3) 0.008(3) 0.002(3)
C36 0.027(3) 0.028(3) 0.047(4) -0.007(3) 0.005(3) -0.003(3)
N1 0.026(3) 0.069(4) 0.024(3) -0.003(3) 0.007(2) 0.004(3)
N2 0.033(3) 0.066(4) 0.026(3) -0.006(3) 0.007(2) -0.001(3)
N3 0.050(4) 0.073(5) 0.049(4) -0.025(4) 0.028(3) -0.018(4)
N4 0.043(4) 0.072(5) 0.048(4) -0.024(4) 0.010(3) -0.006(4)
N5 0.037(3) 0.029(3) 0.036(3) 0.001(2) -0.001(3) -0.009(2)
N6 0.031(3) 0.034(3) 0.032(3) -0.001(2) -0.002(2) -0.001(2)
N7 0.028(3) 0.028(3) 0.036(3) -0.001(2) 0.001(2) 0.003(2)
N8 0.031(3) 0.023(3) 0.041(3) 0.001(2) 0.004(2) 0.004(2)
O1 0.050(3) 0.047(3) 0.039(3) 0.005(2) 0.003(2) 0.009(3)
O1W 0.050(3) 0.055(3) 0.075(4) -0.009(3) 0.008(3) 0.014(3)
O2 0.042(3) 0.046(3) 0.054(3) -0.007(3) 0.016(2) -0.010(2)
O2W 0.172(9) 0.085(5) 0.048(4) -0.006(4) 0.015(5) 0.072(6)
O3 0.036(3) 0.041(3) 0.036(3) -0.012(2) 0.003(2) 0.007(2)
O3W 0.099(9) 0.101(9) 0.115(9) -0.001(5) 0.025(5) 0.006(5)
O4 0.026(2) 0.052(3) 0.043(3) -0.002(2) -0.003(2) 0.013(2)
O3W' 0.149(6) 0.104(6) 0.112(6) -0.004(4) 0.053(5) -0.010(5)

_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 N6 2.182(6) . y
Ag1 N7 2.340(5) 4_656 y
Ag1 N8 2.427(5) . y
Ag1 O4 2.621(5) . y
Ag1 O1 2.647(5) 4_656 y
Ag2 N4 2.153(7) 5_667 y
Ag2 N2 2.175(6) . y
Ag2 O3 2.544(5) . y
Ag2 O2 2.572(5) . y
C1 C6 1.322(13) . ?
C1 C2 1.347(10) . ?
C1 C7 1.513(10) . ?
C2 C3 1.368(10) . ?
C2 H2A 0.9500 . ?
C3 C4 1.353(12) . ?
C3 H3A 0.9500 . ?
C4 C5 1.349(13) . ?
C4 C12 1.496(10) . ?
C5 C6 1.392(14) . ?
C5 H5A 0.9500 . ?
C6 H6A 0.9500 . ?
C7 N1 1.453(9) . ?
C7 H7B 0.9900 . ?
C7 H7C 0.9900 . ?
C8 C9 1.344(10) . ?
C8 N1 1.350(10) . ?
C8 H8A 0.9500 . ?
C9 N2 1.374(10) . ?
C9 H9A 0.9500 . ?
C10 N2 1.330(10) . ?
C10 N1 1.343(9) . ?
C10 C11 1.463(13) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 N3 1.444(10) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.272(13) . ?
C13 N3 1.412(11) . ?
C13 H13A 0.9500 . ?
C14 N4 1.411(12) . ?
C14 H14A 0.9500 . ?
C15 N4 1.281(11) . ?
C15 N3 1.313(11) . ?
C15 C16 1.483(13) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C21 C22 1.375(11) . ?
C21 C23 1.386(11) 5_666 ?
C21 H21A 0.9500 . ?
C22 C23 1.379(11) . ?
C22 C24 1.501(10) . ?
C23 C21 1.386(11) 5_666 ?
C23 H23A 0.9500 . ?
C24 N5 1.458(9) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.336(10) . ?
C25 N5 1.379(10) . ?
C25 H25A 0.9500 . ?
C26 N6 1.376(9) . ?
C26 H26A 0.9500 . ?
C27 N6 1.317(9) . ?
C27 N5 1.335(9) . ?
C27 C28 1.476(11) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C31 N8 1.349(9) . ?
C31 C32 1.370(10) . ?
C31 H31A 0.9500 . ?
C32 N7 1.314(9) . ?
C32 H32A 0.9500 . ?
C33 N7 1.330(9) . ?
C33 C34 1.418(9) . ?
C33 C35 1.517(10) . ?
C34 N8 1.325(9) . ?
C34 C36 1.525(9) . ?
C35 O2 1.236(9) . ?
C35 O1 1.237(8) . ?
C36 O4 1.242(8) . ?
C36 O3 1.242(8) . ?
N4 Ag2 2.153(7) 5_667 ?
N7 Ag1 2.340(5) 4_646 ?
O1W H1WA 0.8501 . ?
O1W H1WB 0.8500 . ?
O2W H2WA 0.8500 . ?
O2W H2WB 0.8498 . ?
O3W O3W 1.80(5) 7_677 ?

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
N6 Ag1 N7 137.5(2) . 4_656 y
N6 Ag1 N8 140.1(2) . . y
N7 Ag1 N8 81.20(18) 4_656 . y
N6 Ag1 O4 98.88(19) . . y
N7 Ag1 O4 90.28(18) 4_656 . y
N8 Ag1 O4 65.25(17) . . y
N6 Ag1 O1 114.06(19) . 4_656 y
N7 Ag1 O1 67.61(18) 4_656 4_656 y
N8 Ag1 O1 86.55(18) . 4_656 y
O4 Ag1 O1 146.95(15) . 4_656 y
N4 Ag2 N2 137.5(3) 5_667 . y
N4 Ag2 O3 130.4(2) 5_667 . y
N2 Ag2 O3 92.0(2) . . y
N4 Ag2 O2 84.9(2) 5_667 . y
N2 Ag2 O2 117.0(2) . . y
O3 Ag2 O2 70.25(16) . . y
C6 C1 C2 117.5(8) . . ?
C6 C1 C7 120.1(7) . . ?
C2 C1 C7 122.1(7) . . ?
C1 C2 C3 121.5(8) . . ?
C1 C2 H2A 119.3 . . ?
C3 C2 H2A 119.3 . . ?
C4 C3 C2 121.6(8) . . ?
C4 C3 H3A 119.2 . . ?
C2 C3 H3A 119.2 . . ?
C5 C4 C3 116.8(8) . . ?
C5 C4 C12 121.3(9) . . ?
C3 C4 C12 121.9(7) . . ?
C4 C5 C6 120.8(10) . . ?
C4 C5 H5A 119.6 . . ?
C6 C5 H5A 119.6 . . ?
C1 C6 C5 121.8(10) . . ?
C1 C6 H6A 119.1 . . ?
C5 C6 H6A 119.1 . . ?
N1 C7 C1 113.4(6) . . ?
N1 C7 H7B 108.9 . . ?
C1 C7 H7B 108.9 . . ?
N1 C7 H7C 108.9 . . ?
C1 C7 H7C 108.9 . . ?
H7B C7 H7C 107.7 . . ?
C9 C8 N1 107.2(7) . . ?
C9 C8 H8A 126.4 . . ?
N1 C8 H8A 126.4 . . ?
C8 C9 N2 108.8(7) . . ?
C8 C9 H9A 125.6 . . ?
N2 C9 H9A 125.6 . . ?
N2 C10 N1 109.7(7) . . ?
N2 C10 C11 125.7(7) . . ?
N1 C10 C11 124.6(7) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N3 C12 C4 112.1(6) . . ?
N3 C12 H12A 109.2 . . ?
C4 C12 H12A 109.2 . . ?
N3 C12 H12B 109.2 . . ?
C4 C12 H12B 109.2 . . ?
H12A C12 H12B 107.9 . . ?
C14 C13 N3 107.4(8) . . ?
C14 C13 H13A 126.3 . . ?
N3 C13 H13A 126.3 . . ?
C13 C14 N4 110.6(8) . . ?
C13 C14 H14A 124.7 . . ?
N4 C14 H14A 124.7 . . ?
N4 C15 N3 115.4(9) . . ?
N4 C15 C16 122.9(10) . . ?
N3 C15 C16 121.7(9) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C22 C21 C23 120.9(8) . 5_666 ?
C22 C21 H21A 119.5 . . ?
C23 C21 H21A 119.5 5_666 . ?
C21 C22 C23 117.6(7) . . ?
C21 C22 C24 121.4(7) . . ?
C23 C22 C24 121.0(7) . . ?
C22 C23 C21 121.4(7) . 5_666 ?
C22 C23 H23A 119.3 . . ?
C21 C23 H23A 119.3 5_666 . ?
N5 C24 C22 112.9(6) . . ?
N5 C24 H24A 109.0 . . ?
C22 C24 H24A 109.0 . . ?
N5 C24 H24B 109.0 . . ?
C22 C24 H24B 109.0 . . ?
H24A C24 H24B 107.8 . . ?
C26 C25 N5 106.3(6) . . ?
C26 C25 H25A 126.8 . . ?
N5 C25 H25A 126.8 . . ?
C25 C26 N6 109.5(7) . . ?
C25 C26 H26A 125.3 . . ?
N6 C26 H26A 125.3 . . ?
N6 C27 N5 110.8(6) . . ?
N6 C27 C28 125.2(7) . . ?
N5 C27 C28 124.0(7) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N8 C31 C32 120.4(6) . . ?
N8 C31 H31A 119.8 . . ?
C32 C31 H31A 119.8 . . ?
N7 C32 C31 121.7(6) . . ?
N7 C32 H32A 119.1 . . ?
C31 C32 H32A 119.1 . . ?
N7 C33 C34 118.8(6) . . ?
N7 C33 C35 117.3(6) . . ?
C34 C33 C35 123.5(6) . . ?
N8 C34 C33 120.9(6) . . ?
N8 C34 C36 115.6(6) . . ?
C33 C34 C36 123.5(6) . . ?
O2 C35 O1 127.1(7) . . ?
O2 C35 C33 115.6(6) . . ?
O1 C35 C33 117.1(6) . . ?
O4 C36 O3 128.1(6) . . ?
O4 C36 C34 115.7(6) . . ?
O3 C36 C34 116.1(6) . . ?
C10 N1 C8 108.1(6) . . ?
C10 N1 C7 125.7(7) . . ?
C8 N1 C7 126.2(7) . . ?
C10 N2 C9 106.3(6) . . ?
C10 N2 Ag2 120.0(5) . . ?
C9 N2 Ag2 133.2(5) . . ?
C15 N3 C13 103.7(7) . . ?
C15 N3 C12 131.4(8) . . ?
C13 N3 C12 124.7(8) . . ?
C15 N4 C14 102.8(8) . . ?
C15 N4 Ag2 133.2(7) . 5_667 ?
C14 N4 Ag2 123.5(6) . 5_667 ?
C27 N5 C25 107.3(6) . . ?
C27 N5 C24 126.9(6) . . ?
C25 N5 C24 125.4(6) . . ?
C27 N6 C26 106.1(6) . . ?
C27 N6 Ag1 127.0(5) . . ?
C26 N6 Ag1 125.9(5) . . ?
C32 N7 C33 119.5(6) . . ?
C32 N7 Ag1 121.9(4) . 4_646 ?
C33 N7 Ag1 118.6(4) . 4_646 ?
C34 N8 C31 118.0(6) . . ?
C34 N8 Ag1 120.1(4) . . ?
C31 N8 Ag1 121.8(5) . . ?
H1WA O1W H1WB 107.9 . . ?
C35 O2 Ag2 122.1(4) . . ?
H2WA O2W H2WB 108.5 . . ?
C36 O3 Ag2 113.1(4) . . ?
C36 O4 Ag1 112.5(4) . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         2.071
_refine_diff_density_min         -0.969
_refine_diff_density_rms         0.133

data_p2
_database_code_depnum_ccdc_archive 'CCDC 845057'
#TrackingRef 'web_deposit_cif_file_0_DiSun_1318300090.p1-2.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C36 H40 Ag2 N8 O5, H O'
_chemical_formula_sum            'C36 H41 Ag2 N8 O6'
_chemical_formula_weight         897.51

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           monoclinic
_symmetry_space_group_name_H-M   C2

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

_cell_length_a                   18.193(8)
_cell_length_b                   11.273(5)
_cell_length_c                   8.606(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 91.271(8)
_cell_angle_gamma                90.00
_cell_volume                     1764.6(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    2446
_cell_measurement_theta_min      4.476
_cell_measurement_theta_max      54.212

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.689
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             910
_exptl_absorpt_coefficient_mu    1.169
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8442
_exptl_absorpt_correction_T_max  0.8921
_exptl_absorpt_process_details   'SADABS (Bruker, 2002)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      273(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 CCD'
_diffrn_measurement_method       '\f and \w'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            4392
_diffrn_reflns_av_R_equivalents  0.0346
_diffrn_reflns_av_sigmaI/netI    0.0759
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_theta_min         2.13
_diffrn_reflns_theta_max         26.00
_reflns_number_total             3135
_reflns_number_gt                2900
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 2002)'
_computing_cell_refinement       'SMART (Bruker, 2002)'
_computing_data_reduction        'SAINT (Bruker, 2002)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  SHELXTL

_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^ > 2sigma(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.
;

_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^)+(0.0517P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/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   0.64(6)
_refine_ls_number_reflns         3135
_refine_ls_number_parameters     242
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.0595
_refine_ls_R_factor_gt           0.0543
_refine_ls_wR_factor_ref         0.1262
_refine_ls_wR_factor_gt          0.1233
_refine_ls_goodness_of_fit_ref   1.155
_refine_ls_restrained_S_all      1.154
_refine_ls_shift/su_max          0.001
_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 0.72051(3) 0.46339(6) 0.27634(6) 0.03269(18) Uani 1 1 d . . .
C1 C 1.0837(5) 0.7282(9) 0.7144(10) 0.032(2) Uani 1 1 d . . .
C2 C 1.0883(5) 0.6148(8) 0.7710(10) 0.0335(19) Uani 1 1 d . . .
H2A H 1.1349 0.5829 0.7881 0.040 Uiso 1 1 calc R . .
C3 C 1.0293(5) 0.5456(8) 0.8039(9) 0.036(2) Uani 1 1 d . . .
H3A H 1.0357 0.4684 0.8399 0.043 Uiso 1 1 calc R . .
C4 C 0.9591(5) 0.5931(8) 0.7823(9) 0.038(2) Uani 1 1 d . . .
C5 C 0.9533(6) 0.7079(10) 0.7246(12) 0.049(3) Uani 1 1 d . . .
H5A H 0.9068 0.7408 0.7094 0.059 Uiso 1 1 calc R . .
C6 C 1.0125(5) 0.7729(9) 0.6902(11) 0.043(2) Uani 1 1 d . . .
H6A H 1.0062 0.8487 0.6496 0.052 Uiso 1 1 calc R . .
C7 C 0.8927(5) 0.5190(10) 0.8216(10) 0.046(2) Uani 1 1 d . . .
H7A H 0.9071 0.4362 0.8256 0.055 Uiso 1 1 calc R . .
H7B H 0.8764 0.5412 0.9241 0.055 Uiso 1 1 calc R . .
C8 C 0.7713(5) 0.6055(9) 0.7317(12) 0.046(2) Uani 1 1 d . . .
H8A H 0.7611 0.6527 0.8171 0.056 Uiso 1 1 calc R . .
C9 C 0.7312(5) 0.5931(9) 0.6022(12) 0.044(2) Uani 1 1 d . . .
H9A H 0.6866 0.6312 0.5826 0.052 Uiso 1 1 calc R . .
C10 C 0.8249(4) 0.4851(9) 0.5714(9) 0.035(3) Uani 1 1 d . . .
C11 C 0.8789(6) 0.3988(8) 0.5128(13) 0.051(3) Uani 1 1 d . . .
H11A H 0.9186 0.3905 0.5872 0.076 Uiso 1 1 calc R . .
H11B H 0.8977 0.4266 0.4160 0.076 Uiso 1 1 calc R . .
H11C H 0.8554 0.3234 0.4971 0.076 Uiso 1 1 calc R . .
C12 C 1.1498(4) 0.8003(8) 0.6804(10) 0.0344(19) Uani 1 1 d . . .
H12A H 1.1792 0.7589 0.6049 0.041 Uiso 1 1 calc R . .
H12B H 1.1344 0.8753 0.6349 0.041 Uiso 1 1 calc R . .
C13 C 1.2623(4) 0.7762(8) 0.8527(10) 0.0343(19) Uani 1 1 d . . .
H13A H 1.2893 0.7262 0.7897 0.041 Uiso 1 1 calc R . .
C14 C 1.2819(4) 0.8169(8) 0.9956(10) 0.0350(19) Uani 1 1 d . . .
H14A H 1.3254 0.7982 1.0489 0.042 Uiso 1 1 calc R . .
C15 C 1.1758(4) 0.8910(7) 0.9403(9) 0.0290(17) Uani 1 1 d . . .
C16 C 1.1076(4) 0.9627(17) 0.9474(9) 0.052(2) Uani 1 1 d . . .
H16A H 1.1159 1.0301 1.0137 0.078 Uiso 1 1 calc R . .
H16B H 1.0687 0.9151 0.9882 0.078 Uiso 1 1 calc R . .
H16C H 1.0939 0.9894 0.8449 0.078 Uiso 1 1 calc R . .
C20 C 0.4970(5) 0.6176(9) 0.4150(12) 0.047(2) Uani 1 1 d . . .
H20A H 0.4613 0.5591 0.3838 0.057 Uiso 1 1 d R . .
H20B H 0.4787 0.6936 0.3817 0.057 Uiso 0.50 1 d PR . .
C21 C 0.5677(5) 0.5936(9) 0.3305(11) 0.042(2) Uani 1 1 d . . .
N1 N 0.8320(4) 0.5321(7) 0.7118(8) 0.043(2) Uani 1 1 d . . .
N2 N 0.7642(3) 0.5166(6) 0.5009(8) 0.0326(16) Uani 1 1 d . . .
N3 N 1.1949(4) 0.8234(6) 0.8201(8) 0.0290(15) Uani 1 1 d . . .
N4 N 1.2287(3) 0.8891(6) 1.0494(8) 0.0302(15) Uani 1 1 d . . .
O1 O 0.5855(4) 0.6629(8) 0.2282(10) 0.064(2) Uani 1 1 d . . .
O1W O 0.5000 0.7795(13) 0.0000 0.132(7) Uani 1 2 d S . .
H1WA H 0.5239 0.7355 0.0635 0.158 Uiso 0.50 1 d PR . .
O2 O 0.6029(3) 0.5036(6) 0.3749(8) 0.052(2) Uani 1 1 d . . .
O3 O 0.4481(7) 0.6981(12) 0.3272(15) 0.036(3) Uani 0.50 1 d PU . .
H3B H 0.4650 0.7172 0.2394 0.043 Uiso 0.50 1 d PR . .

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 0.0316(3) 0.0363(3) 0.0300(3) -0.0069(4) -0.00516(18) -0.0054(4)
C1 0.024(4) 0.046(5) 0.026(4) -0.007(4) -0.005(3) -0.010(4)
C2 0.031(4) 0.034(5) 0.035(5) 0.000(4) 0.007(4) -0.003(4)
C3 0.047(5) 0.032(5) 0.030(5) 0.001(4) -0.003(4) 0.000(4)
C4 0.043(5) 0.046(5) 0.025(4) 0.007(4) -0.011(4) -0.022(4)
C5 0.038(5) 0.056(7) 0.053(6) 0.004(5) -0.017(5) -0.008(5)
C6 0.044(6) 0.037(5) 0.049(6) 0.020(5) -0.014(5) -0.005(5)
C7 0.032(5) 0.064(6) 0.040(5) 0.010(4) -0.014(4) -0.021(4)
C8 0.050(6) 0.040(5) 0.049(6) -0.014(5) 0.009(5) -0.003(5)
C9 0.026(4) 0.043(6) 0.062(6) -0.005(5) 0.007(4) 0.005(4)
C10 0.035(4) 0.033(7) 0.035(4) 0.009(4) -0.009(3) -0.014(4)
C11 0.055(6) 0.031(5) 0.066(7) 0.010(5) 0.002(5) 0.013(5)
C12 0.031(4) 0.035(5) 0.037(5) -0.003(4) 0.005(4) -0.004(4)
C13 0.023(4) 0.032(5) 0.049(5) -0.006(4) 0.014(4) -0.006(3)
C14 0.020(4) 0.037(5) 0.048(5) 0.000(4) -0.001(3) -0.004(3)
C15 0.024(4) 0.026(4) 0.037(5) -0.004(3) 0.004(3) -0.002(3)
C16 0.037(4) 0.074(6) 0.044(5) -0.029(9) -0.002(3) 0.010(9)
C20 0.038(5) 0.043(6) 0.061(7) 0.016(5) 0.009(5) 0.009(4)
C21 0.026(4) 0.055(6) 0.046(6) -0.017(5) 0.006(4) -0.015(4)
N1 0.036(4) 0.059(5) 0.035(4) 0.007(4) -0.007(3) -0.023(4)
N2 0.024(3) 0.038(4) 0.035(4) -0.001(3) -0.008(3) -0.011(3)
N3 0.026(3) 0.025(4) 0.036(4) -0.002(3) 0.000(3) -0.004(3)
N4 0.019(3) 0.040(4) 0.031(4) -0.001(3) 0.000(3) -0.005(3)
O1 0.065(5) 0.062(5) 0.067(5) -0.019(4) 0.027(4) -0.034(4)
O1W 0.178(18) 0.047(9) 0.168(17) 0.000 -0.043(14) 0.000
O2 0.024(3) 0.083(7) 0.049(4) -0.020(3) -0.002(2) 0.018(3)
O3 0.029(5) 0.039(5) 0.039(5) 0.005(4) 0.001(4) 0.003(4)

_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 2.134(7) 3_444 y
Ag1 N2 2.158(7) . y
Ag1 O2 2.363(6) . y
C1 C2 1.370(13) . ?
C1 C6 1.401(13) . ?
C1 C12 1.487(11) . ?
C2 C3 1.361(12) . ?
C2 H2A 0.9300 . ?
C3 C4 1.395(13) . ?
C3 H3A 0.9300 . ?
C4 C5 1.390(14) . ?
C4 C7 1.512(11) . ?
C5 C6 1.341(13) . ?
C5 H5A 0.9300 . ?
C6 H6A 0.9300 . ?
C7 N1 1.445(10) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C9 1.326(13) . ?
C8 N1 1.394(13) . ?
C8 H8A 0.9300 . ?
C9 N2 1.373(12) . ?
C9 H9A 0.9300 . ?
C10 N2 1.298(10) . ?
C10 N1 1.323(11) . ?
C10 C11 1.479(13) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 N3 1.464(11) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.354(12) . ?
C13 N3 1.360(10) . ?
C13 H13A 0.9300 . ?
C14 N4 1.354(10) . ?
C14 H14A 0.9300 . ?
C15 N4 1.329(10) . ?
C15 N3 1.337(10) . ?
C15 C16 1.484(13) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C20 C20 1.47(2) 2_656 ?
C20 O3 1.468(15) . ?
C20 C21 1.515(13) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C21 O1 1.226(13) . ?
C21 O2 1.255(12) . ?
N4 Ag1 2.134(7) 3_556 ?
O1W H1WA 0.8500 . ?
O3 H20B 0.7210 . ?
O3 H3B 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 N2 153.8(2) 3_444 . y
N4 Ag1 O2 119.1(2) 3_444 . y
N2 Ag1 O2 86.7(2) . . y
C2 C1 C6 116.0(8) . . ?
C2 C1 C12 122.5(8) . . ?
C6 C1 C12 121.6(9) . . ?
C3 C2 C1 124.5(8) . . ?
C3 C2 H2A 117.8 . . ?
C1 C2 H2A 117.8 . . ?
C2 C3 C4 118.5(8) . . ?
C2 C3 H3A 120.8 . . ?
C4 C3 H3A 120.8 . . ?
C5 C4 C3 117.9(8) . . ?
C5 C4 C7 122.7(9) . . ?
C3 C4 C7 119.5(8) . . ?
C6 C5 C4 122.2(10) . . ?
C6 C5 H5A 118.9 . . ?
C4 C5 H5A 118.9 . . ?
C5 C6 C1 121.0(9) . . ?
C5 C6 H6A 119.5 . . ?
C1 C6 H6A 119.5 . . ?
N1 C7 C4 113.5(7) . . ?
N1 C7 H7A 108.9 . . ?
C4 C7 H7A 108.9 . . ?
N1 C7 H7B 108.9 . . ?
C4 C7 H7B 108.9 . . ?
H7A C7 H7B 107.7 . . ?
C9 C8 N1 104.9(8) . . ?
C9 C8 H8A 127.6 . . ?
N1 C8 H8A 127.6 . . ?
C8 C9 N2 111.1(8) . . ?
C8 C9 H9A 124.4 . . ?
N2 C9 H9A 124.4 . . ?
N2 C10 N1 112.5(8) . . ?
N2 C10 C11 125.8(8) . . ?
N1 C10 C11 121.4(8) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N3 C12 C1 112.1(7) . . ?
N3 C12 H12A 109.2 . . ?
C1 C12 H12A 109.2 . . ?
N3 C12 H12B 109.2 . . ?
C1 C12 H12B 109.2 . . ?
H12A C12 H12B 107.9 . . ?
C14 C13 N3 105.8(7) . . ?
C14 C13 H13A 127.1 . . ?
N3 C13 H13A 127.1 . . ?
N4 C14 C13 109.8(7) . . ?
N4 C14 H14A 125.1 . . ?
C13 C14 H14A 125.1 . . ?
N4 C15 N3 109.9(7) . . ?
N4 C15 C16 125.0(7) . . ?
N3 C15 C16 125.0(7) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C20 C20 O3 123.0(9) 2_656 . ?
C20 C20 C21 115.7(10) 2_656 . ?
O3 C20 C21 112.0(9) . . ?
C20 C20 H20A 108.3 2_656 . ?
O3 C20 H20A 83.2 . . ?
C21 C20 H20A 108.6 . . ?
C20 C20 H20B 108.4 2_656 . ?
C21 C20 H20B 108.0 . . ?
H20A C20 H20B 107.5 . . ?
O1 C21 O2 126.3(9) . . ?
O1 C21 C20 118.1(10) . . ?
O2 C21 C20 115.5(9) . . ?
C10 N1 C8 106.7(7) . . ?
C10 N1 C7 128.0(9) . . ?
C8 N1 C7 125.2(8) . . ?
C10 N2 C9 104.7(8) . . ?
C10 N2 Ag1 129.4(6) . . ?
C9 N2 Ag1 125.9(6) . . ?
C15 N3 C13 108.2(7) . . ?
C15 N3 C12 125.9(7) . . ?
C13 N3 C12 125.9(7) . . ?
C15 N4 C14 106.3(7) . . ?
C15 N4 Ag1 125.1(5) . 3_556 ?
C14 N4 Ag1 127.9(5) . 3_556 ?
C21 O2 Ag1 120.4(6) . . ?
C20 O3 H3B 112.7 . . ?
H20B O3 H3B 107.8 . . ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         1.046
_refine_diff_density_min         -1.874
_refine_diff_density_rms         0.120