# Supplementary Material (ESI) for CrystEngComm
# This journal is (c) The Royal Society of Chemistry 2010

data_global
_journal_name_full               CrystEngComm

_journal_coden_Cambridge         1350

_publ_contact_author_name        'Ali Morsali'
_publ_contact_author_address     
;
Department of Chemistry
Tarbiat Modares University
Tehran
14155-1838
IRAN
;

_publ_contact_author_email       'MORSALI A@YAHOO.COM'

_publ_section_title              
;
Silver Nanofibers from Nanorods of One-dimensional
Organometallic Coordination Polymer
;
loop_
_publ_author_name
'Ali Morsali'
'Kamran Akhbari'
# Attachment 'morsali7.cif'

data_morsali7
_database_code_depnum_ccdc_archive 'CCDC 753098'
#TrackingRef 'morsali7.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H30 Ag2 O4'
_chemical_formula_weight         790.38

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'
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           ?
_symmetry_space_group_name_H-M   ?

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.7099(5)
_cell_length_b                   14.3387(8)
_cell_length_c                   14.4473(8)
_cell_angle_alpha                65.513(4)
_cell_angle_beta                 83.514(5)
_cell_angle_gamma                74.337(4)
_cell_volume                     1581.04(15)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.660
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             792
_exptl_absorpt_coefficient_mu    1.281
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(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  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            18369
_diffrn_reflns_av_R_equivalents  0.0312
_diffrn_reflns_av_sigmaI/netI    0.0264
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.61
_diffrn_reflns_theta_max         26.50
_reflns_number_total             6526
_reflns_number_gt                5815
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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^)+(0.0434P)^2^+2.9899P] 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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6526
_refine_ls_number_parameters     415
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0466
_refine_ls_R_factor_gt           0.0404
_refine_ls_wR_factor_ref         0.1036
_refine_ls_wR_factor_gt          0.1003
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_restrained_S_all      1.035
_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
C1 C 0.8206(4) 0.4559(3) 0.8526(3) 0.0349(7) Uani 1 1 d . . .
C2 C 0.9028(5) 0.5338(3) 0.8140(3) 0.0526(10) Uani 1 1 d . . .
H2 H 0.9683 0.5385 0.7576 0.063 Uiso 1 1 calc R . .
C3 C 0.8899(7) 0.6057(4) 0.8578(5) 0.0746(14) Uani 1 1 d . . .
H3 H 0.9454 0.6582 0.8298 0.090 Uiso 1 1 calc R . .
C4 C 0.7960(6) 0.5997(4) 0.9418(4) 0.0707(14) Uani 1 1 d . . .
H4 H 0.7868 0.6481 0.9707 0.085 Uiso 1 1 calc R . .
C5 C 0.7163(5) 0.5218(4) 0.9824(4) 0.0620(12) Uani 1 1 d . . .
H5 H 0.6543 0.5163 1.0404 0.074 Uiso 1 1 calc R . .
C6 C 0.7263(5) 0.4512(3) 0.9389(3) 0.0456(8) Uani 1 1 d . . .
H6 H 0.6695 0.3995 0.9673 0.055 Uiso 1 1 calc R . .
C7 C 0.9549(4) 0.2703(3) 0.8639(3) 0.0343(7) Uani 1 1 d . . .
C8 C 1.0021(4) 0.2410(3) 0.9622(3) 0.0464(9) Uani 1 1 d . . .
H8 H 0.9624 0.2866 0.9948 0.056 Uiso 1 1 calc R . .
C9 C 1.1076(5) 0.1449(4) 1.0129(3) 0.0627(12) Uani 1 1 d . . .
H9 H 1.1384 0.1266 1.0790 0.075 Uiso 1 1 calc R . .
C10 C 1.1667(6) 0.0768(4) 0.9666(4) 0.0668(13) Uani 1 1 d . . .
H10 H 1.2379 0.0123 1.0010 0.080 Uiso 1 1 calc R . .
C11 C 1.1209(6) 0.1037(4) 0.8690(4) 0.0637(12) Uani 1 1 d . . .
H11 H 1.1600 0.0571 0.8374 0.076 Uiso 1 1 calc R . .
C12 C 1.0168(5) 0.2001(3) 0.8179(3) 0.0470(9) Uani 1 1 d . . .
H12 H 0.9876 0.2183 0.7515 0.056 Uiso 1 1 calc R . .
C13 C 0.6647(4) 0.3513(3) 0.8160(2) 0.0314(6) Uani 1 1 d . . .
C14 C 0.6408(4) 0.2501(3) 0.8576(3) 0.0481(9) Uani 1 1 d . . .
H14 H 0.7277 0.1922 0.8819 0.058 Uiso 1 1 calc R . .
C15 C 0.4885(5) 0.2336(4) 0.8637(4) 0.0637(12) Uani 1 1 d . . .
H15 H 0.4755 0.1650 0.8918 0.076 Uiso 1 1 calc R . .
C16 C 0.3587(5) 0.3168(4) 0.8289(4) 0.0615(12) Uani 1 1 d . . .
H16 H 0.2580 0.3051 0.8316 0.074 Uiso 1 1 calc R . .
C17 C 0.3784(4) 0.4183(4) 0.7898(3) 0.0475(9) Uani 1 1 d . . .
H17 H 0.2900 0.4755 0.7675 0.057 Uiso 1 1 calc R . .
C18 C 0.5303(4) 0.4359(3) 0.7833(3) 0.0370(7) Uani 1 1 d . . .
H18 H 0.5420 0.5048 0.7569 0.044 Uiso 1 1 calc R . .
C19 C 0.8304(3) 0.3735(2) 0.8075(2) 0.0295(6) Uani 1 1 d . . .
C20 C 0.8828(4) 0.4203(3) 0.6934(2) 0.0323(6) Uani 1 1 d . . .
C21 C 0.0467(4) 0.7976(3) 0.4806(3) 0.0351(7) Uani 1 1 d . . .
C22 C -0.0275(4) 0.7183(3) 0.5421(4) 0.0551(11) Uani 1 1 d . . .
H22 H 0.0276 0.6611 0.5969 0.066 Uiso 1 1 calc R . .
C23 C -0.1828(5) 0.7229(4) 0.5230(5) 0.0680(14) Uani 1 1 d . . .
H23 H -0.2297 0.6684 0.5642 0.082 Uiso 1 1 calc R . .
C24 C -0.2675(5) 0.8074(4) 0.4438(4) 0.0643(13) Uani 1 1 d . . .
H24 H -0.3702 0.8095 0.4296 0.077 Uiso 1 1 calc R . .
C25 C -0.1988(5) 0.8882(4) 0.3861(4) 0.0593(11) Uani 1 1 d . . .
H25 H -0.2569 0.9474 0.3342 0.071 Uiso 1 1 calc R . .
C26 C -0.0426(4) 0.8832(3) 0.4042(3) 0.0460(9) Uani 1 1 d . . .
H26 H 0.0022 0.9390 0.3636 0.055 Uiso 1 1 calc R . .
C27 C 0.2791(4) 0.8856(2) 0.4221(3) 0.0344(7) Uani 1 1 d . . .
C28 C 0.3020(4) 0.8968(3) 0.3211(3) 0.0433(8) Uani 1 1 d . . .
H28 H 0.2827 0.8463 0.3022 0.052 Uiso 1 1 calc R . .
C29 C 0.3530(5) 0.9819(3) 0.2490(3) 0.0547(10) Uani 1 1 d . . .
H29 H 0.3689 0.9875 0.1823 0.066 Uiso 1 1 calc R . .
C30 C 0.3805(5) 1.0586(3) 0.2744(4) 0.0604(11) Uani 1 1 d . . .
H30 H 0.4151 1.1157 0.2255 0.073 Uiso 1 1 calc R . .
C31 C 0.3564(5) 1.0496(3) 0.3726(4) 0.0563(10) Uani 1 1 d . . .
H31 H 0.3735 1.1014 0.3904 0.068 Uiso 1 1 calc R . .
C32 C 0.3067(4) 0.9640(3) 0.4459(3) 0.0429(8) Uani 1 1 d . . .
H32 H 0.2917 0.9590 0.5124 0.051 Uiso 1 1 calc R . .
C33 C 0.2368(4) 0.7851(2) 0.6092(3) 0.0364(7) Uani 1 1 d . . .
C34 C 0.1097(5) 0.8300(3) 0.6569(3) 0.0500(9) Uani 1 1 d . . .
H34 H 0.0105 0.8612 0.6255 0.060 Uiso 1 1 calc R . .
C35 C 0.1302(7) 0.8284(4) 0.7519(4) 0.0662(13) Uani 1 1 d . . .
H35 H 0.0444 0.8590 0.7830 0.079 Uiso 1 1 calc R . .
C36 C 0.2747(8) 0.7824(4) 0.7999(4) 0.0710(14) Uani 1 1 d . . .
H36 H 0.2869 0.7809 0.8636 0.085 Uiso 1 1 calc R . .
C37 C 0.4021(7) 0.7381(4) 0.7528(4) 0.0644(12) Uani 1 1 d . . .
H37 H 0.5010 0.7070 0.7848 0.077 Uiso 1 1 calc R . .
C38 C 0.3833(5) 0.7401(3) 0.6583(3) 0.0483(9) Uani 1 1 d . . .
H38 H 0.4703 0.7107 0.6269 0.058 Uiso 1 1 calc R . .
C39 C 0.2213(4) 0.7910(2) 0.5022(3) 0.0315(6) Uani 1 1 d . . .
C40 C 0.3272(4) 0.6845(2) 0.5004(3) 0.0324(7) Uani 1 1 d . . .
O1 O 0.7806(3) 0.4567(2) 0.62590(18) 0.0459(6) Uani 1 1 d . . .
O2 O 1.0271(3) 0.4194(2) 0.67884(19) 0.0474(6) Uani 1 1 d . . .
O3 O 0.7015(3) 0.39877(17) 0.4325(2) 0.0413(6) Uani 1 1 d . . .
O4 O 0.4350(3) 0.6878(2) 0.4356(2) 0.0526(7) Uani 1 1 d . . .
Ag1 Ag 0.85143(4) 0.51532(4) 0.46422(2) 0.07377(15) Uani 1 1 d . . .
Ag2 Ag 0.51493(3) 0.55314(2) 0.39263(2) 0.04074(9) Uani 1 1 d . . .

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
C1 0.0335(16) 0.0413(17) 0.0286(16) -0.0109(14) -0.0040(13) -0.0109(13)
C2 0.060(2) 0.057(2) 0.051(2) -0.0240(19) 0.0096(19) -0.031(2)
C3 0.093(4) 0.069(3) 0.085(4) -0.039(3) 0.005(3) -0.045(3)
C4 0.078(3) 0.076(3) 0.082(4) -0.054(3) -0.006(3) -0.018(3)
C5 0.058(3) 0.090(3) 0.056(3) -0.048(3) 0.003(2) -0.017(2)
C6 0.046(2) 0.060(2) 0.038(2) -0.0246(18) 0.0060(16) -0.0194(17)
C7 0.0253(14) 0.0414(17) 0.0313(17) -0.0084(14) 0.0023(12) -0.0115(12)
C8 0.0380(18) 0.057(2) 0.0321(18) -0.0105(16) -0.0012(14) -0.0049(16)
C9 0.052(2) 0.070(3) 0.038(2) -0.004(2) -0.0082(18) 0.004(2)
C10 0.054(2) 0.053(2) 0.062(3) -0.002(2) -0.004(2) 0.004(2)
C11 0.063(3) 0.050(2) 0.068(3) -0.022(2) -0.001(2) 0.001(2)
C12 0.046(2) 0.047(2) 0.046(2) -0.0171(17) -0.0047(16) -0.0073(16)
C13 0.0280(14) 0.0438(17) 0.0230(15) -0.0118(13) 0.0013(11) -0.0128(13)
C14 0.0368(18) 0.047(2) 0.052(2) -0.0070(17) -0.0011(16) -0.0169(15)
C15 0.048(2) 0.065(3) 0.074(3) -0.012(2) 0.001(2) -0.034(2)
C16 0.0328(19) 0.095(3) 0.056(3) -0.023(2) 0.0048(17) -0.028(2)
C17 0.0287(16) 0.075(3) 0.037(2) -0.0245(19) 0.0004(14) -0.0073(17)
C18 0.0326(16) 0.0462(18) 0.0297(17) -0.0144(14) 0.0003(13) -0.0074(14)
C19 0.0262(14) 0.0384(16) 0.0217(14) -0.0078(12) 0.0022(11) -0.0127(12)
C20 0.0320(15) 0.0402(16) 0.0250(15) -0.0099(13) 0.0017(12) -0.0151(13)
C21 0.0284(15) 0.0333(16) 0.0454(19) -0.0202(14) 0.0016(13) -0.0038(12)
C22 0.0343(18) 0.0369(19) 0.081(3) -0.0149(19) 0.0061(19) -0.0041(15)
C23 0.037(2) 0.050(2) 0.119(4) -0.036(3) 0.016(2) -0.0165(18)
C24 0.0307(19) 0.084(3) 0.097(4) -0.057(3) 0.001(2) -0.011(2)
C25 0.0352(19) 0.077(3) 0.061(3) -0.030(2) -0.0099(18) 0.0000(19)
C26 0.0351(18) 0.048(2) 0.050(2) -0.0168(17) -0.0037(16) -0.0056(15)
C27 0.0265(14) 0.0317(15) 0.0407(18) -0.0133(14) -0.0020(13) -0.0015(12)
C28 0.0458(19) 0.0429(19) 0.039(2) -0.0150(16) -0.0045(15) -0.0086(15)
C29 0.056(2) 0.055(2) 0.040(2) -0.0072(18) -0.0023(18) -0.0115(19)
C30 0.059(3) 0.048(2) 0.061(3) -0.005(2) 0.004(2) -0.0211(19)
C31 0.060(2) 0.040(2) 0.070(3) -0.019(2) 0.004(2) -0.0200(18)
C32 0.0434(19) 0.0359(17) 0.052(2) -0.0206(16) 0.0026(16) -0.0098(14)
C33 0.0441(18) 0.0283(15) 0.0366(18) -0.0131(13) 0.0022(14) -0.0094(13)
C34 0.054(2) 0.046(2) 0.047(2) -0.0205(18) 0.0095(18) -0.0071(17)
C35 0.090(4) 0.063(3) 0.050(3) -0.031(2) 0.026(3) -0.024(3)
C36 0.123(5) 0.063(3) 0.037(2) -0.021(2) 0.007(3) -0.041(3)
C37 0.085(3) 0.056(2) 0.054(3) -0.017(2) -0.019(2) -0.021(2)
C38 0.052(2) 0.045(2) 0.048(2) -0.0201(18) -0.0070(17) -0.0084(17)
C39 0.0278(14) 0.0270(14) 0.0380(17) -0.0144(13) -0.0009(12) -0.0016(11)
C40 0.0283(14) 0.0283(15) 0.0397(18) -0.0157(13) -0.0033(13) -0.0011(11)
O1 0.0394(13) 0.0722(17) 0.0240(12) -0.0102(12) 0.0012(10) -0.0258(12)
O2 0.0329(12) 0.0726(18) 0.0298(13) -0.0094(12) 0.0073(10) -0.0233(12)
O3 0.0376(12) 0.0265(11) 0.0494(15) -0.0117(10) 0.0013(11) 0.0020(9)
O4 0.0525(15) 0.0379(13) 0.0674(19) -0.0288(13) 0.0228(14) -0.0081(11)
Ag1 0.0568(2) 0.1345(4) 0.02939(18) -0.0161(2) 0.00878(14) -0.0536(2)
Ag2 0.04544(16) 0.03554(14) 0.03505(15) -0.01608(11) 0.00197(11) 0.00205(10)

_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
C1 C2 1.378(5) . ?
C1 C6 1.400(5) . ?
C1 C19 1.548(5) . ?
C2 C3 1.391(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.370(8) . ?
C3 H3 0.9300 . ?
C4 C5 1.363(7) . ?
C4 H4 0.9300 . ?
C5 C6 1.377(6) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C8 1.382(5) . ?
C7 C12 1.387(5) . ?
C7 C19 1.538(4) . ?
C8 C9 1.382(5) . ?
C8 H8 0.9300 . ?
C9 C10 1.362(7) . ?
C9 H9 0.9300 . ?
C10 C11 1.375(7) . ?
C10 H10 0.9300 . ?
C11 C12 1.380(6) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.387(5) . ?
C13 C18 1.395(5) . ?
C13 C19 1.541(4) . ?
C14 C15 1.396(5) . ?
C14 H14 0.9300 . ?
C15 C16 1.362(7) . ?
C15 H15 0.9300 . ?
C16 C17 1.379(7) . ?
C16 H16 0.9300 . ?
C17 C18 1.399(5) . ?
C17 Ag2 2.595(4) 2_666 ?
C17 H17 0.9300 . ?
C18 Ag2 2.550(3) 2_666 ?
C18 H18 0.9300 . ?
C19 C20 1.566(4) . ?
C20 O1 1.241(4) . ?
C20 O2 1.248(4) . ?
C21 C26 1.373(5) . ?
C21 C22 1.389(5) . ?
C21 C39 1.557(4) . ?
C22 C23 1.389(6) . ?
C22 H22 0.9300 . ?
C23 C24 1.371(7) . ?
C23 H23 0.9300 . ?
C24 C25 1.363(7) . ?
C24 H24 0.9300 . ?
C25 C26 1.391(5) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C27 C32 1.387(5) . ?
C27 C28 1.398(5) . ?
C27 C39 1.539(5) . ?
C28 C29 1.381(6) . ?
C28 H28 0.9300 . ?
C29 C30 1.379(7) . ?
C29 H29 0.9300 . ?
C30 C31 1.367(7) . ?
C30 H30 0.9300 . ?
C31 C32 1.386(6) . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
C33 C34 1.387(5) . ?
C33 C38 1.388(5) . ?
C33 C39 1.533(5) . ?
C34 C35 1.393(6) . ?
C34 H34 0.9300 . ?
C35 C36 1.367(8) . ?
C35 H35 0.9300 . ?
C36 C37 1.380(8) . ?
C36 H36 0.9300 . ?
C37 C38 1.382(6) . ?
C37 H37 0.9300 . ?
C38 H38 0.9300 . ?
C39 C40 1.565(4) . ?
C40 O4 1.245(4) . ?
C40 O3 1.255(4) 2_666 ?
O1 Ag1 2.207(2) . ?
O2 Ag1 2.169(2) 2_766 ?
O3 C40 1.255(4) 2_666 ?
O3 Ag2 2.255(2) . ?
O3 Ag1 2.580(3) . ?
O4 Ag2 2.184(2) . ?
Ag1 O2 2.169(2) 2_766 ?
Ag1 Ag1 2.7521(7) 2_766 ?
Ag1 Ag2 3.0522(5) . ?
Ag2 C18 2.550(3) 2_666 ?
Ag2 C17 2.595(4) 2_666 ?
Ag2 Ag2 2.8509(6) 2_666 ?

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
C2 C1 C6 116.9(3) . . ?
C2 C1 C19 123.7(3) . . ?
C6 C1 C19 119.4(3) . . ?
C1 C2 C3 121.4(4) . . ?
C1 C2 H2 119.3 . . ?
C3 C2 H2 119.3 . . ?
C4 C3 C2 120.5(5) . . ?
C4 C3 H3 119.7 . . ?
C2 C3 H3 119.7 . . ?
C5 C4 C3 119.1(4) . . ?
C5 C4 H4 120.5 . . ?
C3 C4 H4 120.5 . . ?
C4 C5 C6 120.9(4) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C5 C6 C1 121.3(4) . . ?
C5 C6 H6 119.4 . . ?
C1 C6 H6 119.4 . . ?
C8 C7 C12 117.8(3) . . ?
C8 C7 C19 122.3(3) . . ?
C12 C7 C19 119.8(3) . . ?
C7 C8 C9 121.0(4) . . ?
C7 C8 H8 119.5 . . ?
C9 C8 H8 119.5 . . ?
C10 C9 C8 120.4(4) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
C9 C10 C11 119.8(4) . . ?
C9 C10 H10 120.1 . . ?
C11 C10 H10 120.1 . . ?
C10 C11 C12 119.9(4) . . ?
C10 C11 H11 120.1 . . ?
C12 C11 H11 120.1 . . ?
C11 C12 C7 121.2(4) . . ?
C11 C12 H12 119.4 . . ?
C7 C12 H12 119.4 . . ?
C14 C13 C18 117.5(3) . . ?
C14 C13 C19 123.1(3) . . ?
C18 C13 C19 119.5(3) . . ?
C13 C14 C15 121.1(4) . . ?
C13 C14 H14 119.4 . . ?
C15 C14 H14 119.4 . . ?
C16 C15 C14 120.9(4) . . ?
C16 C15 H15 119.6 . . ?
C14 C15 H15 119.6 . . ?
C15 C16 C17 119.2(4) . . ?
C15 C16 H16 120.4 . . ?
C17 C16 H16 120.4 . . ?
C16 C17 C18 120.5(4) . . ?
C16 C17 Ag2 103.5(3) . 2_666 ?
C18 C17 Ag2 72.5(2) . 2_666 ?
C16 C17 H17 119.8 . . ?
C18 C17 H17 119.8 . . ?
Ag2 C17 H17 93.9 2_666 . ?
C13 C18 C17 120.8(3) . . ?
C13 C18 Ag2 101.7(2) . 2_666 ?
C17 C18 Ag2 76.0(2) . 2_666 ?
C13 C18 H18 119.6 . . ?
C17 C18 H18 119.6 . . ?
Ag2 C18 H18 92.3 2_666 . ?
C7 C19 C13 110.0(3) . . ?
C7 C19 C1 111.2(3) . . ?
C13 C19 C1 108.5(2) . . ?
C7 C19 C20 108.1(2) . . ?
C13 C19 C20 110.6(2) . . ?
C1 C19 C20 108.4(3) . . ?
O1 C20 O2 125.4(3) . . ?
O1 C20 C19 119.0(3) . . ?
O2 C20 C19 115.6(3) . . ?
C26 C21 C22 117.2(3) . . ?
C26 C21 C39 122.1(3) . . ?
C22 C21 C39 120.6(3) . . ?
C23 C22 C21 121.1(4) . . ?
C23 C22 H22 119.4 . . ?
C21 C22 H22 119.4 . . ?
C24 C23 C22 120.5(4) . . ?
C24 C23 H23 119.8 . . ?
C22 C23 H23 119.8 . . ?
C25 C24 C23 119.0(4) . . ?
C25 C24 H24 120.5 . . ?
C23 C24 H24 120.5 . . ?
C24 C25 C26 120.7(4) . . ?
C24 C25 H25 119.7 . . ?
C26 C25 H25 119.7 . . ?
C21 C26 C25 121.4(4) . . ?
C21 C26 H26 119.3 . . ?
C25 C26 H26 119.3 . . ?
C32 C27 C28 117.4(3) . . ?
C32 C27 C39 122.0(3) . . ?
C28 C27 C39 120.6(3) . . ?
C29 C28 C27 120.7(4) . . ?
C29 C28 H28 119.6 . . ?
C27 C28 H28 119.6 . . ?
C30 C29 C28 120.9(4) . . ?
C30 C29 H29 119.5 . . ?
C28 C29 H29 119.5 . . ?
C31 C30 C29 119.0(4) . . ?
C31 C30 H30 120.5 . . ?
C29 C30 H30 120.5 . . ?
C30 C31 C32 120.6(4) . . ?
C30 C31 H31 119.7 . . ?
C32 C31 H31 119.7 . . ?
C31 C32 C27 121.4(4) . . ?
C31 C32 H32 119.3 . . ?
C27 C32 H32 119.3 . . ?
C34 C33 C38 118.2(4) . . ?
C34 C33 C39 121.6(3) . . ?
C38 C33 C39 120.0(3) . . ?
C33 C34 C35 120.2(4) . . ?
C33 C34 H34 119.9 . . ?
C35 C34 H34 119.9 . . ?
C36 C35 C34 120.9(4) . . ?
C36 C35 H35 119.5 . . ?
C34 C35 H35 119.5 . . ?
C35 C36 C37 119.3(4) . . ?
C35 C36 H36 120.3 . . ?
C37 C36 H36 120.3 . . ?
C36 C37 C38 120.2(5) . . ?
C36 C37 H37 119.9 . . ?
C38 C37 H37 119.9 . . ?
C37 C38 C33 121.2(4) . . ?
C37 C38 H38 119.4 . . ?
C33 C38 H38 119.4 . . ?
C33 C39 C27 110.3(3) . . ?
C33 C39 C21 111.0(3) . . ?
C27 C39 C21 111.0(3) . . ?
C33 C39 C40 106.5(3) . . ?
C27 C39 C40 110.7(3) . . ?
C21 C39 C40 107.2(2) . . ?
O4 C40 O3 124.9(3) . 2_666 ?
O4 C40 C39 118.7(3) . . ?
O3 C40 C39 116.4(3) 2_666 . ?
C20 O1 Ag1 120.1(2) . . ?
C20 O2 Ag1 128.3(2) . 2_766 ?
C40 O3 Ag2 119.8(2) 2_666 . ?
C40 O3 Ag1 124.6(2) 2_666 . ?
Ag2 O3 Ag1 77.96(7) . . ?
C40 O4 Ag2 117.7(2) . . ?
O2 Ag1 O1 164.58(10) 2_766 . ?
O2 Ag1 O3 103.43(10) 2_766 . ?
O1 Ag1 O3 90.57(9) . . ?
O2 Ag1 Ag1 80.21(7) 2_766 2_766 ?
O1 Ag1 Ag1 85.30(7) . 2_766 ?
O3 Ag1 Ag1 135.34(6) . 2_766 ?
O2 Ag1 Ag2 101.73(7) 2_766 . ?
O1 Ag1 Ag2 92.59(6) . . ?
O3 Ag1 Ag2 46.27(5) . . ?
Ag1 Ag1 Ag2 177.28(2) 2_766 . ?
O4 Ag2 O3 140.97(11) . . ?
O4 Ag2 C18 123.30(12) . 2_666 ?
O3 Ag2 C18 92.68(10) . 2_666 ?
O4 Ag2 C17 119.81(13) . 2_666 ?
O3 Ag2 C17 82.10(11) . 2_666 ?
C18 Ag2 C17 31.54(11) 2_666 2_666 ?
O4 Ag2 Ag2 79.41(8) . 2_666 ?
O3 Ag2 Ag2 75.90(7) . 2_666 ?
C18 Ag2 Ag2 147.44(9) 2_666 2_666 ?
C17 Ag2 Ag2 157.98(10) 2_666 2_666 ?
O4 Ag2 Ag1 90.03(8) . . ?
O3 Ag2 Ag1 55.77(7) . . ?
C18 Ag2 Ag1 120.39(7) 2_666 . ?
C17 Ag2 Ag1 90.23(8) 2_666 . ?
Ag2 Ag2 Ag1 78.387(14) 2_666 . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 -1.3(6) . . . . ?
C19 C1 C2 C3 -179.8(4) . . . . ?
C1 C2 C3 C4 0.9(8) . . . . ?
C2 C3 C4 C5 0.5(9) . . . . ?
C3 C4 C5 C6 -1.5(8) . . . . ?
C4 C5 C6 C1 1.1(7) . . . . ?
C2 C1 C6 C5 0.3(6) . . . . ?
C19 C1 C6 C5 178.9(4) . . . . ?
C12 C7 C8 C9 0.0(6) . . . . ?
C19 C7 C8 C9 176.4(4) . . . . ?
C7 C8 C9 C10 -0.2(7) . . . . ?
C8 C9 C10 C11 -0.1(8) . . . . ?
C9 C10 C11 C12 0.8(8) . . . . ?
C10 C11 C12 C7 -1.0(7) . . . . ?
C8 C7 C12 C11 0.6(6) . . . . ?
C19 C7 C12 C11 -175.8(4) . . . . ?
C18 C13 C14 C15 1.9(6) . . . . ?
C19 C13 C14 C15 -179.9(4) . . . . ?
C13 C14 C15 C16 -0.1(8) . . . . ?
C14 C15 C16 C17 -1.7(8) . . . . ?
C15 C16 C17 C18 1.7(7) . . . . ?
C15 C16 C17 Ag2 79.0(5) . . . 2_666 ?
C14 C13 C18 C17 -1.9(5) . . . . ?
C19 C13 C18 C17 179.8(3) . . . . ?
C14 C13 C18 Ag2 -82.4(3) . . . 2_666 ?
C19 C13 C18 Ag2 99.3(3) . . . 2_666 ?
C16 C17 C18 C13 0.2(6) . . . . ?
Ag2 C17 C18 C13 -95.4(3) 2_666 . . . ?
C16 C17 C18 Ag2 95.6(4) . . . 2_666 ?
C8 C7 C19 C13 -96.9(4) . . . . ?
C12 C7 C19 C13 79.4(4) . . . . ?
C8 C7 C19 C1 23.3(4) . . . . ?
C12 C7 C19 C1 -160.4(3) . . . . ?
C8 C7 C19 C20 142.2(3) . . . . ?
C12 C7 C19 C20 -41.5(4) . . . . ?
C14 C13 C19 C7 -7.6(4) . . . . ?
C18 C13 C19 C7 170.6(3) . . . . ?
C14 C13 C19 C1 -129.4(4) . . . . ?
C18 C13 C19 C1 48.8(4) . . . . ?
C14 C13 C19 C20 111.7(4) . . . . ?
C18 C13 C19 C20 -70.0(4) . . . . ?
C2 C1 C19 C7 95.2(4) . . . . ?
C6 C1 C19 C7 -83.3(4) . . . . ?
C2 C1 C19 C13 -143.7(4) . . . . ?
C6 C1 C19 C13 37.8(4) . . . . ?
C2 C1 C19 C20 -23.5(4) . . . . ?
C6 C1 C19 C20 158.0(3) . . . . ?
C7 C19 C20 O1 137.1(3) . . . . ?
C13 C19 C20 O1 16.6(4) . . . . ?
C1 C19 C20 O1 -102.3(3) . . . . ?
C7 C19 C20 O2 -44.4(4) . . . . ?
C13 C19 C20 O2 -164.8(3) . . . . ?
C1 C19 C20 O2 76.3(4) . . . . ?
C26 C21 C22 C23 3.6(6) . . . . ?
C39 C21 C22 C23 -179.5(4) . . . . ?
C21 C22 C23 C24 -1.3(7) . . . . ?
C22 C23 C24 C25 -2.1(8) . . . . ?
C23 C24 C25 C26 2.9(7) . . . . ?
C22 C21 C26 C25 -2.8(6) . . . . ?
C39 C21 C26 C25 -179.7(3) . . . . ?
C24 C25 C26 C21 -0.5(7) . . . . ?
C32 C27 C28 C29 1.1(5) . . . . ?
C39 C27 C28 C29 179.6(3) . . . . ?
C27 C28 C29 C30 -0.8(6) . . . . ?
C28 C29 C30 C31 -0.1(7) . . . . ?
C29 C30 C31 C32 0.7(7) . . . . ?
C30 C31 C32 C27 -0.4(6) . . . . ?
C28 C27 C32 C31 -0.5(5) . . . . ?
C39 C27 C32 C31 -179.0(3) . . . . ?
C38 C33 C34 C35 -0.5(6) . . . . ?
C39 C33 C34 C35 -176.4(4) . . . . ?
C33 C34 C35 C36 -0.4(7) . . . . ?
C34 C35 C36 C37 0.8(7) . . . . ?
C35 C36 C37 C38 -0.3(7) . . . . ?
C36 C37 C38 C33 -0.7(7) . . . . ?
C34 C33 C38 C37 1.0(6) . . . . ?
C39 C33 C38 C37 177.0(4) . . . . ?
C34 C33 C39 C27 95.0(4) . . . . ?
C38 C33 C39 C27 -80.8(4) . . . . ?
C34 C33 C39 C21 -28.5(4) . . . . ?
C38 C33 C39 C21 155.7(3) . . . . ?
C34 C33 C39 C40 -144.8(3) . . . . ?
C38 C33 C39 C40 39.3(4) . . . . ?
C32 C27 C39 C33 -12.5(4) . . . . ?
C28 C27 C39 C33 169.0(3) . . . . ?
C32 C27 C39 C21 110.9(3) . . . . ?
C28 C27 C39 C21 -67.5(4) . . . . ?
C32 C27 C39 C40 -130.1(3) . . . . ?
C28 C27 C39 C40 51.5(4) . . . . ?
C26 C21 C39 C33 117.9(4) . . . . ?
C22 C21 C39 C33 -58.9(4) . . . . ?
C26 C21 C39 C27 -5.1(4) . . . . ?
C22 C21 C39 C27 178.1(3) . . . . ?
C26 C21 C39 C40 -126.2(3) . . . . ?
C22 C21 C39 C40 57.0(4) . . . . ?
C33 C39 C40 O4 -122.9(3) . . . . ?
C27 C39 C40 O4 -3.1(4) . . . . ?
C21 C39 C40 O4 118.2(3) . . . . ?
C33 C39 C40 O3 55.2(4) . . . 2_666 ?
C27 C39 C40 O3 175.1(3) . . . 2_666 ?
C21 C39 C40 O3 -63.7(4) . . . 2_666 ?
O2 C20 O1 Ag1 5.0(5) . . . . ?
C19 C20 O1 Ag1 -176.6(2) . . . . ?
O1 C20 O2 Ag1 2.8(6) . . . 2_766 ?
C19 C20 O2 Ag1 -175.6(2) . . . 2_766 ?
O3 C40 O4 Ag2 26.1(5) 2_666 . . . ?
C39 C40 O4 Ag2 -155.9(2) . . . . ?
C20 O1 Ag1 O2 -27.4(6) . . . 2_766 ?
C20 O1 Ag1 O3 128.1(3) . . . . ?
C20 O1 Ag1 Ag1 -7.4(3) . . . 2_766 ?
C20 O1 Ag1 Ag2 174.3(3) . . . . ?
C40 O3 Ag1 O2 148.4(2) 2_666 . . 2_766 ?
Ag2 O3 Ag1 O2 -93.49(9) . . . 2_766 ?
C40 O3 Ag1 O1 -25.0(2) 2_666 . . . ?
Ag2 O3 Ag1 O1 93.04(9) . . . . ?
C40 O3 Ag1 Ag1 58.8(3) 2_666 . . 2_766 ?
Ag2 O3 Ag1 Ag1 176.92(3) . . . 2_766 ?
C40 O3 Ag1 Ag2 -118.1(2) 2_666 . . . ?
C40 O4 Ag2 O3 -93.3(3) . . . . ?
C40 O4 Ag2 C18 112.7(3) . . . 2_666 ?
C40 O4 Ag2 C17 149.6(3) . . . 2_666 ?
C40 O4 Ag2 Ag2 -41.9(3) . . . 2_666 ?
C40 O4 Ag2 Ag1 -120.1(3) . . . . ?
C40 O3 Ag2 O4 90.1(3) 2_666 . . . ?
Ag1 O3 Ag2 O4 -33.04(16) . . . . ?
C40 O3 Ag2 C18 -111.4(3) 2_666 . . 2_666 ?
Ag1 O3 Ag2 C18 125.49(9) . . . 2_666 ?
C40 O3 Ag2 C17 -141.2(3) 2_666 . . 2_666 ?
Ag1 O3 Ag2 C17 95.70(10) . . . 2_666 ?
C40 O3 Ag2 Ag2 37.7(2) 2_666 . . 2_666 ?
Ag1 O3 Ag2 Ag2 -85.40(5) . . . 2_666 ?
C40 O3 Ag2 Ag1 123.1(3) 2_666 . . . ?
O2 Ag1 Ag2 O4 -102.63(11) 2_766 . . . ?
O1 Ag1 Ag2 O4 71.61(11) . . . . ?
O3 Ag1 Ag2 O4 159.92(11) . . . . ?
Ag1 Ag1 Ag2 O4 32.6(6) 2_766 . . . ?
O2 Ag1 Ag2 O3 97.45(12) 2_766 . . . ?
O1 Ag1 Ag2 O3 -88.31(11) . . . . ?
Ag1 Ag1 Ag2 O3 -127.3(6) 2_766 . . . ?
O2 Ag1 Ag2 C18 26.91(13) 2_766 . . 2_666 ?
O1 Ag1 Ag2 C18 -158.84(12) . . . 2_666 ?
O3 Ag1 Ag2 C18 -70.53(13) . . . 2_666 ?
Ag1 Ag1 Ag2 C18 162.2(6) 2_766 . . 2_666 ?
O2 Ag1 Ag2 C17 17.17(13) 2_766 . . 2_666 ?
O1 Ag1 Ag2 C17 -168.58(13) . . . 2_666 ?
O3 Ag1 Ag2 C17 -80.27(13) . . . 2_666 ?
Ag1 Ag1 Ag2 C17 152.4(6) 2_766 . . 2_666 ?
O2 Ag1 Ag2 Ag2 178.18(9) 2_766 . . 2_666 ?
O1 Ag1 Ag2 Ag2 -7.57(8) . . . 2_666 ?
O3 Ag1 Ag2 Ag2 80.74(8) . . . 2_666 ?
Ag1 Ag1 Ag2 Ag2 -46.6(6) 2_766 . . 2_666 ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.50
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         2.739
_refine_diff_density_min         -1.819
_refine_diff_density_rms         0.082