# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2b1
_database_code_depnum_ccdc_archive 'CCDC 1041673'
_audit_update_record             
;
2014-12-31 deposited with the CCDC.
2015-03-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H56 Ag5 N15'
_chemical_formula_weight         1238.31

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'
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   P21/c

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

_cell_length_a                   11.243(2)
_cell_length_b                   18.664(4)
_cell_length_c                   21.085(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 97.99(3)
_cell_angle_gamma                90.00
_cell_volume                     4381.4(15)
_cell_formula_units_Z            4
_cell_measurement_temperature    113(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.877
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2448
_exptl_absorpt_coefficient_mu    2.241
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6628
_exptl_absorpt_correction_T_max  0.8070
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      113(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            30024
_diffrn_reflns_av_R_equivalents  0.0343
_diffrn_reflns_av_sigmaI/netI    0.0277
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         3.06
_diffrn_reflns_theta_max         26.00
_reflns_number_total             8578
_reflns_number_gt                8048
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 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)+(0.0298P)²+7.1950P] 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_number_reflns         8578
_refine_ls_number_parameters     515
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0287
_refine_ls_R_factor_gt           0.0259
_refine_ls_wR_factor_ref         0.0635
_refine_ls_wR_factor_gt          0.0619
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_restrained_S_all      1.008
_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 0.443140(18) 0.115758(11) 0.171472(10) 0.01432(6) Uani 1 1 d . . .
Ag2 Ag 0.504758(18) 0.278728(11) 0.238909(10) 0.01297(6) Uani 1 1 d . . .
Ag3 Ag 0.596717(18) 0.123232(11) 0.316633(10) 0.01422(6) Uani 1 1 d . . .
Ag4 Ag 0.119164(18) 0.231217(11) 0.432639(10) 0.01363(6) Uani 1 1 d . . .
Ag5 Ag -0.080268(18) 0.265653(11) 0.556946(10) 0.01274(6) Uani 1 1 d . . .
N1 N 0.6319(2) 0.16900(12) 0.16206(11) 0.0137(5) Uani 1 1 d . . .
N2 N 0.6300(2) 0.24146(12) 0.17710(11) 0.0115(5) Uani 1 1 d . . .
N3 N 0.7769(2) 0.22436(12) 0.11882(11) 0.0134(5) Uani 1 1 d . . .
N4 N 0.5185(2) 0.51304(12) 0.27928(11) 0.0134(5) Uani 1 1 d . . .
N5 N 0.4513(2) 0.51632(12) 0.21946(11) 0.0142(5) Uani 1 1 d . . .
N6 N 0.4959(2) 0.40263(13) 0.24062(11) 0.0146(5) Uani 1 1 d . . .
N7 N 0.8483(2) 0.23421(12) 0.45409(11) 0.0127(5) Uani 1 1 d . . .
N8 N 0.9215(2) 0.22582(12) 0.40695(11) 0.0123(5) Uani 1 1 d . . .
N9 N 0.7387(2) 0.18773(12) 0.36756(11) 0.0125(5) Uani 1 1 d . . .
N10 N 0.3889(2) 0.23650(12) 0.30404(11) 0.0136(5) Uani 1 1 d . . .
N11 N 0.3959(2) 0.16345(13) 0.31681(12) 0.0156(5) Uani 1 1 d . . .
N12 N 0.2495(2) 0.20958(13) 0.36484(11) 0.0142(5) Uani 1 1 d . . .
N13 N 0.1887(2) 0.27200(12) 0.53083(11) 0.0120(5) Uani 1 1 d . . .
N14 N 0.1138(2) 0.28535(12) 0.57654(11) 0.0119(5) Uani 1 1 d . . .
N15 N 0.2959(2) 0.32589(12) 0.61457(11) 0.0124(5) Uani 1 1 d . . .
C1 C 0.7210(2) 0.16156(15) 0.12739(13) 0.0133(5) Uani 1 1 d . . .
C2 C 0.7586(3) 0.09328(16) 0.09913(15) 0.0207(6) Uani 1 1 d . . .
H2A H 0.8471 0.0896 0.1083 0.025 Uiso 1 1 calc R . .
H2B H 0.7369 0.0959 0.0520 0.025 Uiso 1 1 calc R . .
C3 C 0.7048(3) 0.02559(16) 0.12255(17) 0.0266(7) Uani 1 1 d . . .
H3A H 0.7385 -0.0162 0.1032 0.040 Uiso 1 1 calc R . .
H3B H 0.6174 0.0263 0.1103 0.040 Uiso 1 1 calc R . .
H3C H 0.7235 0.0228 0.1693 0.040 Uiso 1 1 calc R . .
C4 C 0.7172(2) 0.27229(15) 0.15023(13) 0.0122(5) Uani 1 1 d . . .
C5 C 0.7466(3) 0.35036(15) 0.15584(14) 0.0172(6) Uani 1 1 d . . .
H5A H 0.6897 0.3740 0.1810 0.021 Uiso 1 1 calc R . .
H5B H 0.7355 0.3719 0.1125 0.021 Uiso 1 1 calc R . .
C6 C 0.8744(3) 0.36499(18) 0.18768(17) 0.0284(7) Uani 1 1 d . . .
H6A H 0.8895 0.4167 0.1883 0.043 Uiso 1 1 calc R . .
H6B H 0.9314 0.3409 0.1636 0.043 Uiso 1 1 calc R . .
H6C H 0.8845 0.3467 0.2317 0.043 Uiso 1 1 calc R . .
C7 C 0.5429(2) 0.44455(14) 0.29039(13) 0.0120(5) Uani 1 1 d . . .
C8 C 0.6119(3) 0.41587(16) 0.35064(14) 0.0212(6) Uani 1 1 d . . .
H8A H 0.5605 0.3817 0.3704 0.025 Uiso 1 1 calc R . .
H8B H 0.6317 0.4559 0.3811 0.025 Uiso 1 1 calc R . .
C9 C 0.7278(3) 0.37807(17) 0.34005(16) 0.0264(7) Uani 1 1 d . . .
H9A H 0.7665 0.3579 0.3807 0.040 Uiso 1 1 calc R . .
H9B H 0.7821 0.4126 0.3239 0.040 Uiso 1 1 calc R . .
H9C H 0.7094 0.3394 0.3087 0.040 Uiso 1 1 calc R . .
C10 C 0.4404(2) 0.44982(15) 0.19779(13) 0.0143(6) Uani 1 1 d . . .
C11 C 0.3745(3) 0.42969(18) 0.13353(15) 0.0255(7) Uani 1 1 d . . .
H11A H 0.4332 0.4129 0.1059 0.031 Uiso 1 1 calc R . .
H11B H 0.3343 0.4728 0.1133 0.031 Uiso 1 1 calc R . .
C12 C 0.2808(4) 0.37131(19) 0.1371(2) 0.0474(12) Uani 1 1 d . . .
H12A H 0.2379 0.3621 0.0942 0.071 Uiso 1 1 calc R . .
H12B H 0.2235 0.3870 0.1653 0.071 Uiso 1 1 calc R . .
H12C H 0.3206 0.3273 0.1542 0.071 Uiso 1 1 calc R . .
C13 C 0.7401(2) 0.21095(15) 0.42861(13) 0.0131(5) Uani 1 1 d . . .
C14 C 0.6348(3) 0.20828(18) 0.46336(15) 0.0229(7) Uani 1 1 d . . .
H14A H 0.5648 0.2296 0.4362 0.028 Uiso 1 1 calc R . .
H14B H 0.6514 0.2375 0.5028 0.028 Uiso 1 1 calc R . .
C15 C 0.6039(3) 0.1322(2) 0.48136(16) 0.0337(9) Uani 1 1 d . . .
H15A H 0.5400 0.1335 0.5086 0.051 Uiso 1 1 calc R . .
H15B H 0.6753 0.1092 0.5047 0.051 Uiso 1 1 calc R . .
H15C H 0.5764 0.1048 0.4424 0.051 Uiso 1 1 calc R . .
C16 C 0.8527(2) 0.19797(14) 0.35662(13) 0.0114(5) Uani 1 1 d . . .
C17 C 0.8959(3) 0.17860(17) 0.29507(13) 0.0186(6) Uani 1 1 d . . .
H17A H 0.9786 0.1970 0.2955 0.022 Uiso 1 1 calc R . .
H17B H 0.8440 0.2022 0.2593 0.022 Uiso 1 1 calc R . .
C18 C 0.8954(3) 0.09818(19) 0.28334(16) 0.0288(8) Uani 1 1 d . . .
H18A H 0.9160 0.0886 0.2405 0.043 Uiso 1 1 calc R . .
H18B H 0.8153 0.0789 0.2865 0.043 Uiso 1 1 calc R . .
H18C H 0.9545 0.0752 0.3155 0.043 Uiso 1 1 calc R . .
C19 C 0.3010(2) 0.26166(15) 0.33359(13) 0.0128(5) Uani 1 1 d . . .
C20 C 0.2639(3) 0.33854(15) 0.33209(15) 0.0184(6) Uani 1 1 d . . .
H20A H 0.3195 0.3667 0.3093 0.022 Uiso 1 1 calc R . .
H20B H 0.2706 0.3568 0.3765 0.022 Uiso 1 1 calc R . .
C21 C 0.1355(3) 0.34994(18) 0.29912(19) 0.0312(8) Uani 1 1 d . . .
H21A H 0.1169 0.4013 0.2978 0.047 Uiso 1 1 calc R . .
H21B H 0.0795 0.3247 0.3230 0.047 Uiso 1 1 calc R . .
H21C H 0.1278 0.3311 0.2553 0.047 Uiso 1 1 calc R . .
C22 C 0.3114(2) 0.14984(16) 0.35274(14) 0.0165(6) Uani 1 1 d . . .
C23 C 0.2852(3) 0.07590(17) 0.37448(17) 0.0267(7) Uani 1 1 d . . .
H23A H 0.3503 0.0435 0.3651 0.032 Uiso 1 1 calc R . .
H23B H 0.2095 0.0591 0.3492 0.032 Uiso 1 1 calc R . .
C24 C 0.2734(4) 0.0699(2) 0.44518(19) 0.0406(9) Uani 1 1 d . . .
H24A H 0.2558 0.0201 0.4554 0.061 Uiso 1 1 calc R . .
H24B H 0.2080 0.1009 0.4550 0.061 Uiso 1 1 calc R . .
H24C H 0.3488 0.0848 0.4708 0.061 Uiso 1 1 calc R . .
C25 C 0.2958(2) 0.29685(15) 0.55579(13) 0.0124(5) Uani 1 1 d . . .
C26 C 0.4041(3) 0.29304(17) 0.52272(14) 0.0193(6) Uani 1 1 d . . .
H26A H 0.3854 0.2638 0.4834 0.023 Uiso 1 1 calc R . .
H26B H 0.4695 0.2688 0.5510 0.023 Uiso 1 1 calc R . .
C27 C 0.4474(3) 0.36676(19) 0.50475(15) 0.0250(7) Uani 1 1 d . . .
H27A H 0.5212 0.3616 0.4853 0.038 Uiso 1 1 calc R . .
H27B H 0.4634 0.3965 0.5433 0.038 Uiso 1 1 calc R . .
H27C H 0.3853 0.3895 0.4741 0.038 Uiso 1 1 calc R . .
C28 C 0.1812(2) 0.31762(15) 0.62513(13) 0.0121(5) Uani 1 1 d . . .
C29 C 0.1353(2) 0.34322(16) 0.68411(13) 0.0160(6) Uani 1 1 d . . .
H29A H 0.1838 0.3215 0.7220 0.019 Uiso 1 1 calc R . .
H29B H 0.0512 0.3271 0.6833 0.019 Uiso 1 1 calc R . .
C30 C 0.1402(3) 0.42486(17) 0.69054(16) 0.0260(7) Uani 1 1 d . . .
H30A H 0.1120 0.4390 0.7306 0.039 Uiso 1 1 calc R . .
H30B H 0.0887 0.4466 0.6543 0.039 Uiso 1 1 calc R . .
H30C H 0.2231 0.4412 0.6908 0.039 Uiso 1 1 calc R . .
C31 C -0.0260(3) 0.06634(19) 0.52351(18) 0.0346(8) Uani 1 1 d . . .
H31A H -0.0440 0.1119 0.5399 0.042 Uiso 1 1 calc R . .
C32 C -0.0684(3) 0.04872(19) 0.46113(18) 0.0331(8) Uani 1 1 d . . .
H32A H -0.1151 0.0822 0.4344 0.040 Uiso 1 1 calc R . .
C33 C -0.0433(3) -0.0178(2) 0.43741(18) 0.0355(8) Uani 1 1 d . . .
H33A H -0.0732 -0.0302 0.3945 0.043 Uiso 1 1 calc R . .
C34 C -0.0202(3) 0.43299(18) 0.47274(16) 0.0297(8) Uani 1 1 d . . .
H34A H -0.0342 0.3869 0.4540 0.036 Uiso 1 1 calc R . .
C35 C 0.0929(3) 0.45125(19) 0.50268(16) 0.0285(7) Uani 1 1 d . . .
H35A H 0.1570 0.4178 0.5046 0.034 Uiso 1 1 calc R . .
C36 C 0.1123(3) 0.51821(19) 0.52978(17) 0.0319(8) Uani 1 1 d . . .
H36A H 0.1901 0.5307 0.5504 0.038 Uiso 1 1 calc 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 N15 2.194(2) 4_565 ?
Ag1 N4 2.194(2) 2_645 ?
Ag1 N1 2.376(2) . ?
Ag1 Ag3 3.3014(10) . ?
Ag2 N2 2.163(2) . ?
Ag2 N10 2.169(2) . ?
Ag2 N6 2.315(2) . ?
Ag3 N9 2.162(2) . ?
Ag3 N5 2.177(2) 2_645 ?
Ag3 N11 2.380(2) . ?
Ag4 N8 2.216(2) 1_455 ?
Ag4 N12 2.222(2) . ?
Ag4 N13 2.242(2) . ?
Ag5 N14 2.195(2) . ?
Ag5 N3 2.214(2) 4_466 ?
Ag5 N7 2.282(2) 1_455 ?
N1 C1 1.327(4) . ?
N1 N2 1.390(3) . ?
N2 C4 1.329(4) . ?
N3 C4 1.346(4) . ?
N3 C1 1.353(4) . ?
N3 Ag5 2.214(2) 4_665 ?
N4 C7 1.321(4) . ?
N4 N5 1.379(3) . ?
N4 Ag1 2.194(2) 2_655 ?
N5 C10 1.322(4) . ?
N5 Ag3 2.177(2) 2_655 ?
N6 C10 1.351(4) . ?
N6 C7 1.356(4) . ?
N7 C13 1.332(4) . ?
N7 N8 1.384(3) . ?
N7 Ag5 2.282(2) 1_655 ?
N8 C16 1.329(3) . ?
N8 Ag4 2.216(2) 1_655 ?
N9 C16 1.347(3) . ?
N9 C13 1.356(4) . ?
N10 C19 1.325(4) . ?
N10 N11 1.390(3) . ?
N11 C22 1.320(4) . ?
N12 C19 1.349(4) . ?
N12 C22 1.357(4) . ?
N13 C25 1.329(4) . ?
N13 N14 1.388(3) . ?
N14 C28 1.330(3) . ?
N15 C28 1.348(3) . ?
N15 C25 1.352(3) . ?
N15 Ag1 2.194(2) 4_566 ?
C1 C2 1.492(4) . ?
C2 C3 1.513(4) . ?
C4 C5 1.495(4) . ?
C5 C6 1.524(4) . ?
C7 C8 1.493(4) . ?
C8 C9 1.526(4) . ?
C10 C11 1.499(4) . ?
C11 C12 1.525(5) . ?
C13 C14 1.477(4) . ?
C14 C15 1.523(5) . ?
C16 C17 1.492(4) . ?
C17 C18 1.521(5) . ?
C19 C20 1.493(4) . ?
C20 C21 1.527(4) . ?
C22 C23 1.496(4) . ?
C23 C24 1.519(5) . ?
C25 C26 1.486(4) . ?
C26 C27 1.525(4) . ?
C28 C29 1.490(4) . ?
C29 C30 1.530(4) . ?
C31 C32 1.375(5) . ?
C31 C33 1.389(5) 3_556 ?
C32 C33 1.382(5) . ?
C33 C31 1.389(5) 3_556 ?
C34 C36 1.375(5) 3_566 ?
C34 C35 1.382(5) . ?
C35 C36 1.379(5) . ?
C36 C34 1.375(5) 3_566 ?

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
N15 Ag1 N4 140.90(8) 4_565 2_645 ?
N15 Ag1 N1 111.19(8) 4_565 . ?
N4 Ag1 N1 106.61(8) 2_645 . ?
N15 Ag1 Ag3 138.04(6) 4_565 . ?
N4 Ag1 Ag3 63.59(6) 2_645 . ?
N1 Ag1 Ag3 72.64(6) . . ?
N2 Ag2 N10 139.80(9) . . ?
N2 Ag2 N6 111.32(8) . . ?
N10 Ag2 N6 108.81(9) . . ?
N9 Ag3 N5 144.50(8) . 2_645 ?
N9 Ag3 N11 117.31(9) . . ?
N5 Ag3 N11 95.78(9) 2_645 . ?
N9 Ag3 Ag1 137.63(6) . . ?
N5 Ag3 Ag1 64.20(6) 2_645 . ?
N11 Ag3 Ag1 68.95(6) . . ?
N8 Ag4 N12 124.29(9) 1_455 . ?
N8 Ag4 N13 116.77(9) 1_455 . ?
N12 Ag4 N13 118.64(9) . . ?
N14 Ag5 N3 131.22(8) . 4_466 ?
N14 Ag5 N7 115.55(9) . 1_455 ?
N3 Ag5 N7 113.16(9) 4_466 1_455 ?
C1 N1 N2 105.3(2) . . ?
C1 N1 Ag1 138.91(19) . . ?
N2 N1 Ag1 110.25(16) . . ?
C4 N2 N1 106.8(2) . . ?
C4 N2 Ag2 134.28(19) . . ?
N1 N2 Ag2 118.82(16) . . ?
C4 N3 C1 103.8(2) . . ?
C4 N3 Ag5 133.30(19) . 4_665 ?
C1 N3 Ag5 122.66(18) . 4_665 ?
C7 N4 N5 106.2(2) . . ?
C7 N4 Ag1 137.65(19) . 2_655 ?
N5 N4 Ag1 116.15(16) . 2_655 ?
C10 N5 N4 106.7(2) . . ?
C10 N5 Ag3 137.14(19) . 2_655 ?
N4 N5 Ag3 116.00(16) . 2_655 ?
C10 N6 C7 103.6(2) . . ?
C10 N6 Ag2 131.13(19) . . ?
C7 N6 Ag2 125.14(18) . . ?
C13 N7 N8 105.9(2) . . ?
C13 N7 Ag5 130.40(19) . 1_655 ?
N8 N7 Ag5 123.06(16) . 1_655 ?
C16 N8 N7 106.2(2) . . ?
C16 N8 Ag4 131.73(19) . 1_655 ?
N7 N8 Ag4 119.70(16) . 1_655 ?
C16 N9 C13 103.4(2) . . ?
C16 N9 Ag3 130.43(18) . . ?
C13 N9 Ag3 124.02(18) . . ?
C19 N10 N11 106.4(2) . . ?
C19 N10 Ag2 136.21(19) . . ?
N11 N10 Ag2 117.13(17) . . ?
C22 N11 N10 105.9(2) . . ?
C22 N11 Ag3 134.37(19) . . ?
N10 N11 Ag3 109.74(16) . . ?
C19 N12 C22 103.5(2) . . ?
C19 N12 Ag4 123.33(19) . . ?
C22 N12 Ag4 132.19(19) . . ?
C25 N13 N14 105.4(2) . . ?
C25 N13 Ag4 131.66(18) . . ?
N14 N13 Ag4 122.34(16) . . ?
C28 N14 N13 106.3(2) . . ?
C28 N14 Ag5 131.71(18) . . ?
N13 N14 Ag5 121.51(16) . . ?
C28 N15 C25 103.1(2) . . ?
C28 N15 Ag1 129.28(18) . 4_566 ?
C25 N15 Ag1 127.18(18) . 4_566 ?
N1 C1 N3 112.5(2) . . ?
N1 C1 C2 125.9(3) . . ?
N3 C1 C2 121.6(2) . . ?
C1 C2 C3 115.8(3) . . ?
N2 C4 N3 111.7(2) . . ?
N2 C4 C5 123.8(2) . . ?
N3 C4 C5 124.5(2) . . ?
C4 C5 C6 113.2(2) . . ?
N4 C7 N6 111.8(2) . . ?
N4 C7 C8 124.6(2) . . ?
N6 C7 C8 123.5(3) . . ?
C7 C8 C9 113.2(3) . . ?
N5 C10 N6 111.7(2) . . ?
N5 C10 C11 123.9(3) . . ?
N6 C10 C11 124.4(3) . . ?
C10 C11 C12 113.1(3) . . ?
N7 C13 N9 112.1(2) . . ?
N7 C13 C14 124.1(2) . . ?
N9 C13 C14 123.8(2) . . ?
C13 C14 C15 112.4(3) . . ?
N8 C16 N9 112.4(2) . . ?
N8 C16 C17 124.4(2) . . ?
N9 C16 C17 123.2(2) . . ?
C16 C17 C18 112.7(2) . . ?
N10 C19 N12 111.9(2) . . ?
N10 C19 C20 123.7(3) . . ?
N12 C19 C20 124.4(2) . . ?
C19 C20 C21 112.8(2) . . ?
N11 C22 N12 112.3(3) . . ?
N11 C22 C23 122.8(3) . . ?
N12 C22 C23 124.9(3) . . ?
C22 C23 C24 114.6(3) . . ?
N13 C25 N15 112.8(2) . . ?
N13 C25 C26 123.6(2) . . ?
N15 C25 C26 123.6(2) . . ?
C25 C26 C27 112.6(3) . . ?
N14 C28 N15 112.3(2) . . ?
N14 C28 C29 124.2(2) . . ?
N15 C28 C29 123.5(2) . . ?
C28 C29 C30 112.4(2) . . ?
C32 C31 C33 120.2(3) . 3_556 ?
C31 C32 C33 120.0(3) . . ?
C32 C33 C31 119.8(4) . 3_556 ?
C36 C34 C35 119.7(3) 3_566 . ?
C36 C35 C34 119.7(3) . . ?
C34 C36 C35 120.6(3) 3_566 . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.756
_refine_diff_density_min         -0.579
_refine_diff_density_rms         0.096
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2b
_database_code_depnum_ccdc_archive 'CCDC 1041674'
_audit_update_record             
;
2014-12-31 deposited with the CCDC.
2015-03-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H56 Ag5 N15'
_chemical_formula_weight         1238.31

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

_cell_length_a                   11.365(5)
_cell_length_b                   9.329(4)
_cell_length_c                   20.985(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 97.4147(15)
_cell_angle_gamma                90.00
_cell_volume                     2206.4(17)
_cell_formula_units_Z            2
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.864
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1224
_exptl_absorpt_coefficient_mu    2.225
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.6646
_exptl_absorpt_correction_T_max  0.8082
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      153(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            10246
_diffrn_reflns_av_R_equivalents  0.0245
_diffrn_reflns_av_sigmaI/netI    0.0269
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         3.07
_diffrn_reflns_theta_max         27.49
_reflns_number_total             4943
_reflns_number_gt                4523
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 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)+(0.0419P)²+4.6822P] where P=(Fo²+2Fc²)/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         4943
_refine_ls_number_parameters     276
_refine_ls_number_restraints     5
_refine_ls_R_factor_all          0.0392
_refine_ls_R_factor_gt           0.0352
_refine_ls_wR_factor_ref         0.0905
_refine_ls_wR_factor_gt          0.0870
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_restrained_S_all      1.084
_refine_ls_shift/su_max          2.222
_refine_ls_shift/su_mean         0.105

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 1.0000 0.43321(4) 0.2500 0.03316(11) Uani 1 2 d S . .
Ag2 Ag 0.59861(2) 0.53476(3) 0.436506(13) 0.03371(9) Uani 1 1 d . . .
Ag3 Ag 1.07903(3) 0.75329(3) 0.324139(14) 0.03284(9) Uani 1 1 d . . .
N1 N 1.0000 0.1857(5) 0.2500 0.0357(10) Uani 1 2 d S . .
N2 N 1.0340(3) -0.0389(3) 0.27931(15) 0.0320(7) Uani 1 1 d . . .
N3 N 0.8794(3) 0.5150(3) 0.31292(15) 0.0293(6) Uani 1 1 d . . .
N4 N 0.8903(3) 0.6558(3) 0.33227(17) 0.0339(7) Uani 1 1 d . . .
N5 N 0.7382(3) 0.5613(4) 0.37294(16) 0.0377(8) Uani 1 1 d . . .
N6 N 0.4054(3) 0.5595(4) 0.41565(14) 0.0299(6) Uani 1 1 d . . .
N7 N 0.3318(3) 0.5332(3) 0.46157(14) 0.0293(6) Uani 1 1 d . . .
N8 N 0.2253(2) 0.6383(3) 0.37804(14) 0.0275(6) Uani 1 1 d . . .
C1 C 1.0515(4) 0.0966(4) 0.2956(2) 0.0373(9) Uani 1 1 d . . .
C2 C 1.1153(7) 0.1453(6) 0.3593(3) 0.0771(19) Uani 1 1 d . . .
H2A H 1.0573 0.1911 0.3842 0.093 Uiso 1 1 calc R . .
H2B H 1.1478 0.0601 0.3836 0.093 Uiso 1 1 calc R . .
C3 C 1.2114(9) 0.2453(7) 0.3541(5) 0.124(4) Uani 1 1 d . . .
H3A H 1.2438 0.2788 0.3970 0.186 Uiso 1 1 calc R . .
H3B H 1.1813 0.3273 0.3277 0.186 Uiso 1 1 calc R . .
H3C H 1.2739 0.1974 0.3340 0.186 Uiso 1 1 calc R . .
C4 C 0.7885(3) 0.4629(4) 0.33894(19) 0.0346(8) Uani 1 1 d . . .
C5 C 0.7491(5) 0.3105(6) 0.3316(3) 0.0636(15) Uani 1 1 d . . .
H5A H 0.8013 0.2599 0.3047 0.076 Uiso 1 1 calc R . .
H5B H 0.7595 0.2647 0.3745 0.076 Uiso 1 1 calc R . .
C6 C 0.6275(6) 0.2917(9) 0.3033(5) 0.113(3) Uani 1 1 d . . .
H6A H 0.6024 0.1932 0.3104 0.169 Uiso 1 1 calc R . .
H6B H 0.6210 0.3105 0.2570 0.169 Uiso 1 1 calc R . .
H6C H 0.5766 0.3588 0.3231 0.169 Uiso 1 1 calc R . .
C7 C 0.8047(3) 0.6773(5) 0.3681(2) 0.0392(9) Uani 1 1 d . A .
C8 C 0.7823(6) 0.8098(7) 0.4031(3) 0.0756(18) Uani 1 1 d D . .
H8A H 0.6955 0.8236 0.4006 0.091 Uiso 0.48(2) 1 calc PR A 1
H8B H 0.8138 0.7967 0.4490 0.091 Uiso 0.48(2) 1 calc PR A 1
H8C H 0.764(11) 0.855(15) 0.459(6) 0.091 Uiso 0.52(2) 1 d P A 2
H8D H 0.783(15) 0.850(18) 0.378(8) 0.091 Uiso 0.52(2) 1 d P A 2
C9 C 0.8341(16) 0.9393(11) 0.3799(9) 0.079(5) Uani 0.48(2) 1 d PD A 1
H9A H 0.7958 1.0236 0.3960 0.119 Uiso 0.48(2) 1 calc PR A 1
H9B H 0.8221 0.9399 0.3328 0.119 Uiso 0.48(2) 1 calc PR A 1
H9C H 0.9193 0.9416 0.3952 0.119 Uiso 0.48(2) 1 calc PR A 1
C9' C 0.709(2) 0.9176(16) 0.3646(9) 0.138(11) Uani 0.52(2) 1 d PD A 2
H9AA H 0.7077 1.0068 0.3891 0.208 Uiso 0.52(2) 1 calc PR A 2
H9AB H 0.6275 0.8812 0.3544 0.208 Uiso 0.52(2) 1 calc PR A 2
H9AC H 0.7421 0.9361 0.3246 0.208 Uiso 0.52(2) 1 calc PR A 2
C10 C 0.3386(3) 0.6220(4) 0.36706(18) 0.0323(8) Uani 1 1 d . . .
C11 C 0.3840(4) 0.6769(7) 0.3082(2) 0.0583(15) Uani 1 1 d . . .
H11A H 0.3350 0.6371 0.2698 0.070 Uiso 1 1 calc R . .
H11B H 0.4664 0.6431 0.3078 0.070 Uiso 1 1 calc R . .
C12 C 0.3817(6) 0.8391(9) 0.3043(4) 0.112(4) Uani 1 1 d . . .
H12A H 0.4107 0.8699 0.2645 0.167 Uiso 1 1 calc R . .
H12B H 0.4328 0.8790 0.3413 0.167 Uiso 1 1 calc R . .
H12C H 0.3003 0.8732 0.3047 0.167 Uiso 1 1 calc R . .
C13 C 0.2265(3) 0.5814(4) 0.43693(17) 0.0280(7) Uani 1 1 d . . .
C14 C 0.1193(4) 0.5766(6) 0.4710(2) 0.0482(12) Uani 1 1 d . . .
H14A H 0.1344 0.5121 0.5087 0.058 Uiso 1 1 calc R . .
H14B H 0.0516 0.5373 0.4419 0.058 Uiso 1 1 calc R . .
C15 C 0.0876(5) 0.7246(8) 0.4933(3) 0.0736(18) Uani 1 1 d . . .
H15A H 0.0183 0.7179 0.5165 0.110 Uiso 1 1 calc R . .
H15B H 0.0691 0.7874 0.4559 0.110 Uiso 1 1 calc R . .
H15C H 0.1548 0.7641 0.5218 0.110 Uiso 1 1 calc R . .
C16 C 0.4183(6) 0.8895(7) 0.4949(4) 0.102(3) Uani 1 1 d D . .
H16A H 0.3611 0.8147 0.4907 0.122 Uiso 1 1 calc R . .
C17 C 0.5316(7) 0.8636(7) 0.5224(4) 0.103(3) Uani 1 1 d D . .
H17A H 0.5547 0.7710 0.5383 0.123 Uiso 1 1 calc R . .
C18 C 0.6120(7) 0.9749(8) 0.5267(5) 0.134(5) Uani 1 1 d D . .
H18A H 0.6913 0.9571 0.5454 0.160 Uiso 1 1 calc 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 N3 2.161(3) 2_755 ?
Ag1 N3 2.161(3) . ?
Ag1 N1 2.309(4) . ?
Ag2 N6 2.195(3) . ?
Ag2 N5 2.214(3) . ?
Ag2 N7 2.273(3) 3_666 ?
Ag3 N8 2.170(3) 1_655 ?
Ag3 N2 2.187(3) 1_565 ?
Ag3 N4 2.357(3) . ?
N1 C1 1.344(5) 2_755 ?
N1 C1 1.344(5) . ?
N2 C1 1.318(5) . ?
N2 N2 1.366(6) 2_755 ?
N2 Ag3 2.187(3) 1_545 ?
N3 C4 1.322(4) . ?
N3 N4 1.375(4) . ?
N4 C7 1.319(5) . ?
N5 C7 1.332(6) . ?
N5 C4 1.336(5) . ?
N6 C10 1.325(5) . ?
N6 N7 1.378(4) . ?
N7 C13 1.320(5) . ?
N7 Ag2 2.273(3) 3_666 ?
N8 C13 1.343(4) . ?
N8 C10 1.345(5) . ?
N8 Ag3 2.170(3) 1_455 ?
C1 C2 1.505(7) . ?
C2 C3 1.451(10) . ?
C4 C5 1.492(6) . ?
C5 C6 1.443(9) . ?
C7 C8 1.476(6) . ?
C8 C9 1.456(9) . ?
C8 C9' 1.480(9) . ?
C10 C11 1.490(5) . ?
C11 C12 1.515(10) . ?
C13 C14 1.491(5) . ?
C14 C15 1.515(8) . ?
C16 C17 1.364(5) . ?
C16 C18 1.373(5) 3_676 ?
C17 C18 1.378(5) . ?
C18 C16 1.373(5) 3_676 ?

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
N3 Ag1 N3 138.65(16) 2_755 . ?
N3 Ag1 N1 110.67(8) 2_755 . ?
N3 Ag1 N1 110.67(8) . . ?
N6 Ag2 N5 130.09(12) . . ?
N6 Ag2 N7 115.77(10) . 3_666 ?
N5 Ag2 N7 114.12(12) . 3_666 ?
N8 Ag3 N2 141.58(12) 1_655 1_565 ?
N8 Ag3 N4 114.50(12) 1_655 . ?
N2 Ag3 N4 102.07(12) 1_565 . ?
C1 N1 C1 103.6(4) 2_755 . ?
C1 N1 Ag1 128.2(2) 2_755 . ?
C1 N1 Ag1 128.2(2) . . ?
C1 N2 N2 106.4(2) . 2_755 ?
C1 N2 Ag3 136.0(3) . 1_545 ?
N2 N2 Ag3 117.46(8) 2_755 1_545 ?
C4 N3 N4 105.9(3) . . ?
C4 N3 Ag1 135.5(3) . . ?
N4 N3 Ag1 118.5(2) . . ?
C7 N4 N3 105.6(3) . . ?
C7 N4 Ag3 136.7(3) . . ?
N3 N4 Ag3 113.3(2) . . ?
C7 N5 C4 103.4(3) . . ?
C7 N5 Ag2 126.5(3) . . ?
C4 N5 Ag2 129.3(3) . . ?
C10 N6 N7 106.0(3) . . ?
C10 N6 Ag2 131.2(2) . . ?
N7 N6 Ag2 121.6(2) . . ?
C13 N7 N6 105.5(3) . . ?
C13 N7 Ag2 130.7(2) . 3_666 ?
N6 N7 Ag2 122.6(2) . 3_666 ?
C13 N8 C10 102.5(3) . . ?
C13 N8 Ag3 126.2(2) . 1_455 ?
C10 N8 Ag3 130.7(2) . 1_455 ?
N2 C1 N1 111.8(4) . . ?
N2 C1 C2 124.0(4) . . ?
N1 C1 C2 124.1(4) . . ?
C3 C2 C1 114.1(6) . . ?
N3 C4 N5 112.3(3) . . ?
N3 C4 C5 123.2(4) . . ?
N5 C4 C5 124.5(4) . . ?
C6 C5 C4 114.6(6) . . ?
N4 C7 N5 112.8(4) . . ?
N4 C7 C8 126.8(5) . . ?
N5 C7 C8 120.4(4) . . ?
C9 C8 C9' 58.5(12) . . ?
C9 C8 C7 115.1(7) . . ?
C9' C8 C7 114.7(8) . . ?
N6 C10 N8 112.6(3) . . ?
N6 C10 C11 124.3(3) . . ?
N8 C10 C11 123.0(3) . . ?
C10 C11 C12 112.5(5) . . ?
N7 C13 N8 113.3(3) . . ?
N7 C13 C14 123.9(3) . . ?
N8 C13 C14 122.8(3) . . ?
C13 C14 C15 111.2(4) . . ?
C17 C16 C18 119.1(6) . 3_676 ?
C16 C17 C18 118.4(6) . . ?
C16 C18 C17 122.5(6) 3_676 . ?

_diffrn_measured_fraction_theta_max 0.975
_diffrn_reflns_theta_full        27.49
_diffrn_measured_fraction_theta_full 0.975
_refine_diff_density_max         0.983
_refine_diff_density_min         -1.005
_refine_diff_density_rms         0.110
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3b
_database_code_depnum_ccdc_archive 'CCDC 1041675'
_audit_update_record             
;
2014-12-31 deposited with the CCDC.
2015-03-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C35 H59 Ag4 N12 O0'
_chemical_formula_weight         1079.42

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   P-1

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

_cell_length_a                   9.8861(11)
_cell_length_b                   14.3980(15)
_cell_length_c                   15.8646(17)
_cell_angle_alpha                91.9550(10)
_cell_angle_beta                 73.9110(10)
_cell_angle_gamma                74.3040(10)
_cell_volume                     2074.2(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    113(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.728
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1082
_exptl_absorpt_coefficient_mu    1.901
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7024
_exptl_absorpt_correction_T_max  0.7636
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      113(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            20518
_diffrn_reflns_av_R_equivalents  0.0236
_diffrn_reflns_av_sigmaI/netI    0.0296
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.88
_diffrn_reflns_theta_max         26.00
_reflns_number_total             8073
_reflns_number_gt                7189
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 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)+(0.0311P)²+2.2992P] 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_number_reflns         8073
_refine_ls_number_parameters     453
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0317
_refine_ls_R_factor_gt           0.0269
_refine_ls_wR_factor_ref         0.0664
_refine_ls_wR_factor_gt          0.0629
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_restrained_S_all      1.028
_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 0.42730(2) 0.960823(16) 0.386149(15) 0.01822(6) Uani 1 1 d . . .
Ag2 Ag 0.70683(3) 0.837854(17) 0.450709(15) 0.02066(6) Uani 1 1 d . . .
Ag3 Ag 0.87098(3) 0.612742(16) 0.069113(14) 0.02092(7) Uani 1 1 d . . .
Ag4 Ag 0.85341(2) 0.245321(16) 0.296447(14) 0.01787(6) Uani 1 1 d . . .
N1 N 0.5868(3) 0.83014(18) 0.29182(16) 0.0181(5) Uani 1 1 d . . .
N2 N 0.7086(3) 0.79491(18) 0.32047(16) 0.0188(5) Uani 1 1 d . . .
N3 N 0.7565(3) 0.72063(18) 0.18630(16) 0.0212(6) Uani 1 1 d . . .
N4 N 0.5964(3) 1.05021(18) 0.39871(16) 0.0174(5) Uani 1 1 d . . .
N5 N 0.5782(3) 1.10687(18) 0.47597(16) 0.0173(5) Uani 1 1 d . . .
N6 N 0.6996(3) 1.16912(18) 0.36295(16) 0.0172(5) Uani 1 1 d . . .
N7 N 0.7963(3) 0.83522(18) 0.55831(16) 0.0182(5) Uani 1 1 d . . .
N8 N 0.7721(3) 0.92149(18) 0.60894(16) 0.0179(5) Uani 1 1 d . . .
N9 N 0.9613(3) 0.81072(18) 0.63297(16) 0.0185(5) Uani 1 1 d . . .
N10 N 0.9134(3) 0.46402(18) 0.11959(16) 0.0214(6) Uani 1 1 d . . .
N11 N 1.0248(3) 0.38423(18) 0.07065(16) 0.0201(5) Uani 1 1 d . . .
N12 N 0.9131(3) 0.33719(18) 0.19588(16) 0.0177(5) Uani 1 1 d . . .
C1 C 0.6192(3) 0.7841(2) 0.2120(2) 0.0195(6) Uani 1 1 d . . .
C2 C 0.5165(4) 0.8004(2) 0.1570(2) 0.0264(7) Uani 1 1 d . . .
H2A H 0.4174 0.8018 0.1945 0.032 Uiso 1 1 calc R . .
H2B H 0.5501 0.7450 0.1101 0.032 Uiso 1 1 calc R . .
C3 C 0.5049(4) 0.8935(3) 0.1143(2) 0.0311(8) Uani 1 1 d . . .
H3A H 0.6046 0.8950 0.0803 0.037 Uiso 1 1 calc R . .
H3B H 0.4627 0.9497 0.1610 0.037 Uiso 1 1 calc R . .
C4 C 0.4087(5) 0.9027(3) 0.0528(3) 0.0470(11) Uani 1 1 d . . .
H4A H 0.4540 0.8498 0.0041 0.071 Uiso 1 1 calc R . .
H4B H 0.3993 0.9653 0.0289 0.071 Uiso 1 1 calc R . .
H4C H 0.3109 0.8990 0.0858 0.071 Uiso 1 1 calc R . .
C5 C 0.8070(3) 0.7297(2) 0.2561(2) 0.0213(7) Uani 1 1 d . . .
C6 C 0.9529(4) 0.6734(3) 0.2624(2) 0.0290(8) Uani 1 1 d . . .
H6A H 0.9657 0.6035 0.2482 0.035 Uiso 1 1 calc R . .
H6B H 0.9537 0.6835 0.3243 0.035 Uiso 1 1 calc R . .
C7 C 1.0843(4) 0.6994(3) 0.2020(3) 0.0388(9) Uani 1 1 d . . .
H7A H 1.0685 0.7703 0.2117 0.047 Uiso 1 1 calc R . .
H7B H 1.0917 0.6823 0.1395 0.047 Uiso 1 1 calc R . .
C8 C 1.2286(4) 0.6453(3) 0.2197(3) 0.0457(10) Uani 1 1 d . . .
H8A H 1.3100 0.6654 0.1819 0.069 Uiso 1 1 calc R . .
H8B H 1.2474 0.5751 0.2067 0.069 Uiso 1 1 calc R . .
H8C H 1.2207 0.6608 0.2818 0.069 Uiso 1 1 calc R . .
C9 C 0.6681(3) 1.0901(2) 0.33349(19) 0.0170(6) Uani 1 1 d . . .
C10 C 0.7085(4) 1.0523(2) 0.2382(2) 0.0229(7) Uani 1 1 d . . .
H10A H 0.6721 0.9953 0.2334 0.027 Uiso 1 1 calc R . .
H10B H 0.8171 1.0302 0.2137 0.027 Uiso 1 1 calc R . .
C11 C 0.6453(4) 1.1283(3) 0.1826(2) 0.0267(7) Uani 1 1 d . . .
H11A H 0.6879 1.1830 0.1835 0.032 Uiso 1 1 calc R . .
H11B H 0.6751 1.0986 0.1206 0.032 Uiso 1 1 calc R . .
C12 C 0.4785(4) 1.1674(3) 0.2157(2) 0.0325(8) Uani 1 1 d . . .
H12A H 0.4440 1.2130 0.1764 0.049 Uiso 1 1 calc R . .
H12B H 0.4485 1.2011 0.2756 0.049 Uiso 1 1 calc R . .
H12C H 0.4356 1.1135 0.2165 0.049 Uiso 1 1 calc R . .
C13 C 0.6408(3) 1.1762(2) 0.45154(19) 0.0177(6) Uani 1 1 d . . .
C14 C 0.6437(4) 1.2545(2) 0.5153(2) 0.0218(7) Uani 1 1 d . . .
H14A H 0.7472 1.2495 0.5114 0.026 Uiso 1 1 calc R . .
H14B H 0.5938 1.2446 0.5762 0.026 Uiso 1 1 calc R . .
C15 C 0.5679(4) 1.3569(2) 0.4971(2) 0.0262(7) Uani 1 1 d . . .
H15A H 0.5722 1.4054 0.5413 0.031 Uiso 1 1 calc R . .
H15B H 0.6231 1.3686 0.4381 0.031 Uiso 1 1 calc R . .
C16 C 0.4080(4) 1.3723(2) 0.5002(2) 0.0327(8) Uani 1 1 d . . .
H16A H 0.4028 1.3252 0.4560 0.049 Uiso 1 1 calc R . .
H16B H 0.3667 1.4384 0.4876 0.049 Uiso 1 1 calc R . .
H16C H 0.3517 1.3632 0.5591 0.049 Uiso 1 1 calc R . .
C17 C 0.9099(3) 0.7718(2) 0.57413(19) 0.0172(6) Uani 1 1 d . . .
C18 C 0.9738(4) 0.6697(2) 0.5294(2) 0.0236(7) Uani 1 1 d . . .
H18A H 1.0655 0.6653 0.4820 0.028 Uiso 1 1 calc R . .
H18B H 0.9036 0.6538 0.5014 0.028 Uiso 1 1 calc R . .
C19 C 1.0085(4) 0.5942(2) 0.5922(2) 0.0287(8) Uani 1 1 d . . .
H19A H 1.0541 0.5290 0.5579 0.034 Uiso 1 1 calc R . .
H19B H 1.0805 0.6089 0.6192 0.034 Uiso 1 1 calc R . .
C20 C 0.8724(5) 0.5927(3) 0.6647(3) 0.0461(10) Uani 1 1 d . . .
H20A H 0.8028 0.5749 0.6385 0.069 Uiso 1 1 calc R . .
H20B H 0.8262 0.6572 0.6985 0.069 Uiso 1 1 calc R . .
H20C H 0.9002 0.5450 0.7041 0.069 Uiso 1 1 calc R . .
C21 C 0.8717(3) 0.9030(2) 0.65170(18) 0.0159(6) Uani 1 1 d . . .
C22 C 0.8910(4) 0.9797(2) 0.7108(2) 0.0245(7) Uani 1 1 d . . .
H22A H 0.9371 0.9480 0.7544 0.029 Uiso 1 1 calc R . .
H22B H 0.7930 1.0241 0.7436 0.029 Uiso 1 1 calc R . .
C23 C 0.9874(4) 1.0399(3) 0.6585(2) 0.0322(8) Uani 1 1 d . . .
H23A H 1.0172 1.0769 0.7003 0.039 Uiso 1 1 calc R . .
H23B H 1.0779 0.9950 0.6172 0.039 Uiso 1 1 calc R . .
C24 C 0.9096(4) 1.1095(3) 0.6070(3) 0.0358(9) Uani 1 1 d . . .
H24A H 0.8861 1.0730 0.5624 0.054 Uiso 1 1 calc R . .
H24B H 0.9733 1.1478 0.5777 0.054 Uiso 1 1 calc R . .
H24C H 0.8184 1.1530 0.6471 0.054 Uiso 1 1 calc R . .
C25 C 0.8489(3) 0.4327(2) 0.19322(19) 0.0198(6) Uani 1 1 d . . .
C26 C 0.7200(4) 0.4960(2) 0.2648(2) 0.0261(7) Uani 1 1 d . . .
H26A H 0.7357 0.5603 0.2731 0.031 Uiso 1 1 calc R . .
H26B H 0.7153 0.4668 0.3207 0.031 Uiso 1 1 calc R . .
C27 C 0.5739(4) 0.5103(3) 0.2460(2) 0.0341(8) Uani 1 1 d . . .
H27A H 0.5797 0.5364 0.1886 0.041 Uiso 1 1 calc R . .
H27B H 0.4960 0.5586 0.2923 0.041 Uiso 1 1 calc R . .
C28 C 0.5325(5) 0.4165(3) 0.2432(3) 0.0469(11) Uani 1 1 d . . .
H28A H 0.4376 0.4291 0.2310 0.070 Uiso 1 1 calc R . .
H28B H 0.5248 0.3909 0.3003 0.070 Uiso 1 1 calc R . .
H28C H 0.6082 0.3688 0.1965 0.070 Uiso 1 1 calc R . .
C29 C 1.0221(3) 0.3104(2) 0.11812(19) 0.0179(6) Uani 1 1 d . . .
C30 C 1.1255(4) 0.2105(2) 0.0897(2) 0.0233(7) Uani 1 1 d . . .
H30A H 1.1693 0.1895 0.1375 0.028 Uiso 1 1 calc R . .
H30B H 1.2064 0.2123 0.0370 0.028 Uiso 1 1 calc R . .
C31 C 1.0522(4) 0.1355(2) 0.0675(2) 0.0281(7) Uani 1 1 d . . .
H31A H 1.1253 0.0704 0.0537 0.034 Uiso 1 1 calc R . .
H31B H 0.9712 0.1338 0.1201 0.034 Uiso 1 1 calc R . .
C32 C 0.9909(5) 0.1566(3) -0.0100(3) 0.0408(9) Uani 1 1 d . . .
H32A H 1.0693 0.1618 -0.0616 0.061 Uiso 1 1 calc R . .
H32B H 0.9113 0.2179 0.0054 0.061 Uiso 1 1 calc R . .
H32C H 0.9526 0.1038 -0.0238 0.061 Uiso 1 1 calc R . .
C33 C 0.6517(7) 0.4416(5) 0.0076(5) 0.065(3) Uiso 0.50 1 d PG A -1
H33A H 0.7508 0.4159 0.0078 0.078 Uiso 0.50 1 calc PR A -1
C34 C 0.6033(8) 0.5349(5) -0.0144(5) 0.054(2) Uiso 0.50 1 d PG A -1
H34A H 0.6694 0.5731 -0.0292 0.064 Uiso 0.50 1 calc PR A -1
C35 C 0.4583(9) 0.5723(4) -0.0146(5) 0.081(3) Uiso 0.50 1 d PG A -1
H35A H 0.4252 0.6361 -0.0296 0.097 Uiso 0.50 1 calc PR A -1
C36 C 0.3616(7) 0.5165(5) 0.0071(5) 0.057(2) Uiso 0.50 1 d PG A -1
H36A H 0.2624 0.5421 0.0069 0.068 Uiso 0.50 1 calc PR A -1
C37 C 0.4099(8) 0.4232(5) 0.0291(5) 0.065(3) Uiso 0.50 1 d PG A -1
H37A H 0.3438 0.3850 0.0439 0.078 Uiso 0.50 1 calc PR A -1
C38 C 0.5550(9) 0.3857(4) 0.0293(5) 0.081(3) Uiso 0.50 1 d PG A -1
H38A H 0.5880 0.3219 0.0443 0.097 Uiso 0.50 1 calc PR A -1


_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 N8 2.205(3) 2_676 ?
Ag1 N1 2.272(2) . ?
Ag1 N4 2.413(2) . ?
Ag1 N5 2.418(2) 2_676 ?
Ag1 Ag2 3.2963(4) . ?
Ag2 N7 2.126(2) . ?
Ag2 N2 2.130(2) . ?
Ag2 N5 2.614(3) 2_676 ?
Ag3 N11 2.178(2) 2_765 ?
Ag3 N3 2.199(2) . ?
Ag3 N10 2.285(2) . ?
Ag4 N12 2.165(2) . ?
Ag4 N6 2.173(2) 1_545 ?
Ag4 N9 2.379(2) 2_766 ?
N1 C1 1.323(4) . ?
N1 N2 1.380(3) . ?
N2 C5 1.327(4) . ?
N3 C5 1.351(4) . ?
N3 C1 1.356(4) . ?
N4 C9 1.326(4) . ?
N4 N5 1.389(3) . ?
N5 C13 1.326(4) . ?
N5 Ag1 2.418(2) 2_676 ?
N5 Ag2 2.614(2) 2_676 ?
N6 C13 1.352(4) . ?
N6 C9 1.358(4) . ?
N6 Ag4 2.173(2) 1_565 ?
N7 C17 1.332(4) . ?
N7 N8 1.382(3) . ?
N8 C21 1.320(4) . ?
N8 Ag1 2.205(2) 2_676 ?
N9 C17 1.351(4) . ?
N9 C21 1.353(4) . ?
N9 Ag4 2.379(2) 2_766 ?
N10 C25 1.324(4) . ?
N10 N11 1.384(3) . ?
N11 C29 1.325(4) . ?
N11 Ag3 2.178(2) 2_765 ?
N12 C29 1.356(4) . ?
N12 C25 1.357(4) . ?
C1 C2 1.491(4) . ?
C2 C3 1.513(5) . ?
C3 C4 1.527(5) . ?
C5 C6 1.484(4) . ?
C6 C7 1.531(5) . ?
C7 C8 1.536(5) . ?
C9 C10 1.495(4) . ?
C10 C11 1.538(4) . ?
C11 C12 1.519(5) . ?
C13 C14 1.501(4) . ?
C14 C15 1.539(4) . ?
C15 C16 1.522(5) . ?
C17 C18 1.497(4) . ?
C18 C19 1.533(4) . ?
C19 C20 1.514(5) . ?
C21 C22 1.509(4) . ?
C22 C23 1.552(5) . ?
C23 C24 1.500(5) . ?
C25 C26 1.497(4) . ?
C26 C27 1.517(5) . ?
C27 C28 1.516(6) . ?
C29 C30 1.490(4) . ?
C30 C31 1.535(5) . ?
C31 C32 1.520(5) . ?
C33 C34 1.3900 . ?
C33 C38 1.3900 . ?
C34 C35 1.3900 . ?
C35 C36 1.3900 . ?
C36 C37 1.3900 . ?
C37 C38 1.3900 . ?

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
N8 Ag1 N1 138.36(9) 2_676 . ?
N8 Ag1 N4 102.01(9) 2_676 . ?
N1 Ag1 N4 99.60(9) . . ?
N8 Ag1 N5 114.37(9) 2_676 2_676 ?
N1 Ag1 N5 98.84(9) . 2_676 ?
N4 Ag1 N5 94.40(8) . 2_676 ?
N8 Ag1 Ag2 157.42(6) 2_676 . ?
N1 Ag1 Ag2 64.11(6) . . ?
N4 Ag1 Ag2 65.48(6) . . ?
N5 Ag1 Ag2 51.70(6) 2_676 . ?
N7 Ag2 N2 154.87(10) . . ?
N7 Ag2 N5 104.70(9) . 2_676 ?
N2 Ag2 N5 97.95(9) . 2_676 ?
N7 Ag2 Ag1 141.31(7) . . ?
N2 Ag2 Ag1 63.58(7) . . ?
N5 Ag2 Ag1 46.55(5) 2_676 . ?
N11 Ag3 N3 136.25(9) 2_765 . ?
N11 Ag3 N10 116.51(9) 2_765 . ?
N3 Ag3 N10 106.44(9) . . ?
N12 Ag4 N6 148.54(9) . 1_545 ?
N12 Ag4 N9 112.46(9) . 2_766 ?
N6 Ag4 N9 98.86(9) 1_545 2_766 ?
C1 N1 N2 106.1(2) . . ?
C1 N1 Ag1 143.1(2) . . ?
N2 N1 Ag1 109.49(17) . . ?
C5 N2 N1 106.6(2) . . ?
C5 N2 Ag2 132.0(2) . . ?
N1 N2 Ag2 121.19(18) . . ?
C5 N3 C1 103.5(2) . . ?
C5 N3 Ag3 125.1(2) . . ?
C1 N3 Ag3 131.0(2) . . ?
C9 N4 N5 105.8(2) . . ?
C9 N4 Ag1 124.81(19) . . ?
N5 N4 Ag1 122.41(17) . . ?
C13 N5 N4 106.2(2) . . ?
C13 N5 Ag1 122.84(19) . 2_676 ?
N4 N5 Ag1 122.07(17) . 2_676 ?
C13 N5 Ag2 116.68(19) . 2_676 ?
N4 N5 Ag2 103.41(16) . 2_676 ?
Ag1 N5 Ag2 81.75(7) 2_676 2_676 ?
C13 N6 C9 102.9(2) . . ?
C13 N6 Ag4 124.7(2) . 1_565 ?
C9 N6 Ag4 130.52(19) . 1_565 ?
C17 N7 N8 106.3(2) . . ?
C17 N7 Ag2 131.4(2) . . ?
N8 N7 Ag2 119.00(18) . . ?
C21 N8 N7 105.3(2) . . ?
C21 N8 Ag1 137.2(2) . 2_676 ?
N7 N8 Ag1 116.79(18) . 2_676 ?
C17 N9 C21 102.2(2) . . ?
C17 N9 Ag4 136.4(2) . 2_766 ?
C21 N9 Ag4 121.41(19) . 2_766 ?
C25 N10 N11 105.8(2) . . ?
C25 N10 Ag3 132.5(2) . . ?
N11 N10 Ag3 121.67(17) . . ?
C29 N11 N10 107.0(2) . . ?
C29 N11 Ag3 130.9(2) . 2_765 ?
N10 N11 Ag3 120.15(18) . 2_765 ?
C29 N12 C25 103.6(2) . . ?
C29 N12 Ag4 127.2(2) . . ?
C25 N12 Ag4 129.1(2) . . ?
N1 C1 N3 112.0(3) . . ?
N1 C1 C2 123.7(3) . . ?
N3 C1 C2 124.2(3) . . ?
C1 C2 C3 113.8(3) . . ?
C2 C3 C4 111.7(3) . . ?
N2 C5 N3 111.7(3) . . ?
N2 C5 C6 123.1(3) . . ?
N3 C5 C6 125.1(3) . . ?
C5 C6 C7 115.0(3) . . ?
C6 C7 C8 111.4(3) . . ?
N4 C9 N6 112.5(3) . . ?
N4 C9 C10 123.4(3) . . ?
N6 C9 C10 124.0(3) . . ?
C9 C10 C11 113.1(3) . . ?
C12 C11 C10 112.9(3) . . ?
N5 C13 N6 112.5(3) . . ?
N5 C13 C14 123.5(3) . . ?
N6 C13 C14 124.0(3) . . ?
C13 C14 C15 112.4(3) . . ?
C16 C15 C14 113.6(3) . . ?
N7 C17 N9 112.5(3) . . ?
N7 C17 C18 123.0(3) . . ?
N9 C17 C18 124.5(3) . . ?
C17 C18 C19 113.5(3) . . ?
C20 C19 C18 112.4(3) . . ?
N8 C21 N9 113.8(3) . . ?
N8 C21 C22 123.0(3) . . ?
N9 C21 C22 123.1(3) . . ?
C21 C22 C23 112.6(3) . . ?
C24 C23 C22 112.8(3) . . ?
N10 C25 N12 112.2(3) . . ?
N10 C25 C26 123.5(3) . . ?
N12 C25 C26 124.3(3) . . ?
C25 C26 C27 113.7(3) . . ?
C26 C27 C28 112.3(3) . . ?
N11 C29 N12 111.4(3) . . ?
N11 C29 C30 124.4(3) . . ?
N12 C29 C30 124.2(3) . . ?
C29 C30 C31 113.5(3) . . ?
C32 C31 C30 113.4(3) . . ?
C34 C33 C38 120.0 . . ?
C35 C34 C33 120.0 . . ?
C36 C35 C34 120.0 . . ?
C35 C36 C37 120.0 . . ?
C38 C37 C36 120.0 . . ?
C37 C38 C33 120.0 . . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         1.017
_refine_diff_density_min         -0.508
_refine_diff_density_rms         0.097
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3b1
_database_code_depnum_ccdc_archive 'CCDC 1041676'
_audit_update_record             
;
2014-12-31 deposited with the CCDC.
2015-03-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C32 H56 Ag4 N12 O0'
_chemical_formula_weight         1040.37

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   P-1

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

_cell_length_a                   10.3700(4)
_cell_length_b                   14.3641(5)
_cell_length_c                   15.3164(6)
_cell_angle_alpha                89.5770(10)
_cell_angle_beta                 74.1980(10)
_cell_angle_gamma                69.6300(10)
_cell_volume                     2048.28(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    113(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.687
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1040
_exptl_absorpt_coefficient_mu    1.921
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6999
_exptl_absorpt_correction_T_max  0.7615
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      113(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            15710
_diffrn_reflns_av_R_equivalents  0.0167
_diffrn_reflns_av_sigmaI/netI    0.0262
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_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         1.39
_diffrn_reflns_theta_max         26.00
_reflns_number_total             7914
_reflns_number_gt                6979
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 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)+(0.0494P)²+2.9000P] 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_number_reflns         7914
_refine_ls_number_parameters     441
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0370
_refine_ls_R_factor_gt           0.0309
_refine_ls_wR_factor_ref         0.0839
_refine_ls_wR_factor_gt          0.0747
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_restrained_S_all      1.009
_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 0.43515(3) 0.970325(19) 0.380017(18) 0.02166(8) Uani 1 1 d . . .
Ag2 Ag 0.70998(3) 0.82528(2) 0.442799(18) 0.02399(8) Uani 1 1 d . . .
Ag3 Ag 0.84550(3) 0.605585(19) 0.051959(18) 0.02256(8) Uani 1 1 d . . .
Ag4 Ag 0.84339(3) 0.23891(2) 0.304807(18) 0.02227(8) Uani 1 1 d . . .
N1 N 0.5856(3) 0.8387(2) 0.2809(2) 0.0225(6) Uani 1 1 d . . .
N2 N 0.7042(3) 0.7848(2) 0.3090(2) 0.0222(6) Uani 1 1 d . . .
N3 N 0.7352(3) 0.7194(2) 0.1714(2) 0.0222(6) Uani 1 1 d . . .
N4 N 0.5883(3) 1.0531(2) 0.3975(2) 0.0225(6) Uani 1 1 d . . .
N5 N 0.5571(3) 1.1116(2) 0.4780(2) 0.0216(6) Uani 1 1 d . . .
N6 N 0.7039(3) 1.1600(2) 0.3680(2) 0.0212(6) Uani 1 1 d . . .
N7 N 0.8177(3) 0.8282(2) 0.5430(2) 0.0228(6) Uani 1 1 d . . .
N8 N 0.7820(3) 0.9189(2) 0.5918(2) 0.0218(6) Uani 1 1 d . . .
N9 N 0.9869(3) 0.8144(2) 0.6109(2) 0.0234(6) Uani 1 1 d . . .
N10 N 0.8892(3) 0.4582(2) 0.1152(2) 0.0243(7) Uani 1 1 d . . .
N11 N 1.0230(3) 0.3839(2) 0.0822(2) 0.0241(7) Uani 1 1 d . . .
N12 N 0.8978(3) 0.3321(2) 0.2008(2) 0.0228(6) Uani 1 1 d . . .
C1 C 0.6083(4) 0.7974(3) 0.1987(2) 0.0209(7) Uani 1 1 d . . .
C2 C 0.5076(4) 0.8330(3) 0.1420(2) 0.0246(8) Uani 1 1 d . . .
H2A H 0.5590 0.8509 0.0837 0.029 Uiso 1 1 calc R . .
H2B H 0.4276 0.8942 0.1741 0.029 Uiso 1 1 calc R . .
C3 C 0.4451(5) 0.7571(3) 0.1211(3) 0.0363(10) Uani 1 1 d . . .
H3A H 0.3981 0.7360 0.1790 0.044 Uiso 1 1 calc R . .
H3B H 0.5241 0.6974 0.0853 0.044 Uiso 1 1 calc R . .
C4 C 0.3359(5) 0.7990(4) 0.0678(3) 0.0452(11) Uani 1 1 d . . .
H4A H 0.3005 0.7473 0.0546 0.068 Uiso 1 1 calc R . .
H4B H 0.3819 0.8202 0.0105 0.068 Uiso 1 1 calc R . .
H4C H 0.2554 0.8563 0.1041 0.068 Uiso 1 1 calc R . .
C5 C 0.7905(4) 0.7154(3) 0.2420(2) 0.0216(7) Uani 1 1 d . . .
C6 C 0.9344(4) 0.6435(3) 0.2430(3) 0.0257(8) Uani 1 1 d . . .
H6A H 0.9353 0.5746 0.2378 0.031 Uiso 1 1 calc R . .
H6B H 0.9509 0.6549 0.3021 0.031 Uiso 1 1 calc R . .
C7 C 1.0571(4) 0.6539(3) 0.1651(3) 0.0288(8) Uani 1 1 d . . .
H7A H 1.0391 0.6442 0.1061 0.035 Uiso 1 1 calc R . .
H7B H 1.0576 0.7223 0.1713 0.035 Uiso 1 1 calc R . .
C8 C 1.2035(5) 0.5794(4) 0.1641(4) 0.0504(13) Uani 1 1 d . . .
H8A H 1.2779 0.5913 0.1153 0.076 Uiso 1 1 calc R . .
H8B H 1.2061 0.5114 0.1534 0.076 Uiso 1 1 calc R . .
H8C H 1.2208 0.5872 0.2229 0.076 Uiso 1 1 calc R . .
C9 C 0.6751(4) 1.0848(3) 0.3343(2) 0.0205(7) Uani 1 1 d . . .
C10 C 0.7320(4) 1.0431(3) 0.2364(2) 0.0260(8) Uani 1 1 d . . .
H10A H 0.7123 0.9811 0.2306 0.031 Uiso 1 1 calc R . .
H10B H 0.8375 1.0256 0.2163 0.031 Uiso 1 1 calc R . .
C11 C 0.6644(4) 1.1171(3) 0.1740(3) 0.0333(9) Uani 1 1 d . . .
H11A H 0.6855 1.1786 0.1793 0.040 Uiso 1 1 calc R . .
H11B H 0.7090 1.0874 0.1100 0.040 Uiso 1 1 calc R . .
C12 C 0.5033(5) 1.1443(5) 0.1972(4) 0.0543(14) Uani 1 1 d . . .
H12A H 0.4661 1.1898 0.1545 0.082 Uiso 1 1 calc R . .
H12B H 0.4579 1.1770 0.2595 0.082 Uiso 1 1 calc R . .
H12C H 0.4816 1.0836 0.1926 0.082 Uiso 1 1 calc R . .
C13 C 0.6293(4) 1.1730(3) 0.4572(2) 0.0211(7) Uani 1 1 d . . .
C14 C 0.6271(4) 1.2485(3) 0.5249(3) 0.0267(8) Uani 1 1 d . . .
H14A H 0.7269 1.2361 0.5257 0.032 Uiso 1 1 calc R . .
H14B H 0.5726 1.2397 0.5863 0.032 Uiso 1 1 calc R . .
C15 C 0.5597(5) 1.3569(3) 0.5044(3) 0.0334(9) Uani 1 1 d . . .
H15A H 0.5613 1.4026 0.5518 0.040 Uiso 1 1 calc R . .
H15B H 0.6181 1.3674 0.4450 0.040 Uiso 1 1 calc R . .
C16 C 0.4051(5) 1.3827(3) 0.5016(4) 0.0477(12) Uani 1 1 d . . .
H16A H 0.3654 1.4530 0.4910 0.071 Uiso 1 1 calc R . .
H16B H 0.3472 1.3711 0.5598 0.071 Uiso 1 1 calc R . .
H16C H 0.4035 1.3406 0.4521 0.071 Uiso 1 1 calc R . .
C17 C 0.9397(4) 0.7686(3) 0.5561(2) 0.0226(7) Uani 1 1 d . . .
C18 C 1.0124(4) 0.6619(3) 0.5172(3) 0.0279(8) Uani 1 1 d . . .
H18A H 1.1118 0.6511 0.4801 0.033 Uiso 1 1 calc R . .
H18B H 0.9609 0.6474 0.4764 0.033 Uiso 1 1 calc R . .
C19 C 1.0169(5) 0.5894(3) 0.5914(3) 0.0368(10) Uani 1 1 d . . .
H19A H 1.0664 0.5201 0.5623 0.044 Uiso 1 1 calc R . .
H19B H 1.0732 0.6013 0.6301 0.044 Uiso 1 1 calc R . .
C20 C 0.8688(6) 0.6009(4) 0.6506(4) 0.0571(14) Uani 1 1 d . . .
H20A H 0.8769 0.5540 0.6974 0.086 Uiso 1 1 calc R . .
H20B H 0.8138 0.5870 0.6129 0.086 Uiso 1 1 calc R . .
H20C H 0.8197 0.6693 0.6801 0.086 Uiso 1 1 calc R . .
C21 C 0.8853(4) 0.9076(2) 0.6302(2) 0.0183(7) Uani 1 1 d . . .
C22 C 0.8934(4) 0.9910(3) 0.6834(3) 0.0243(8) Uani 1 1 d . . .
H22A H 0.9538 0.9627 0.7242 0.029 Uiso 1 1 calc R . .
H22B H 0.7958 1.0310 0.7222 0.029 Uiso 1 1 calc R . .
C23 C 0.9548(5) 1.0591(3) 0.6239(3) 0.0354(10) Uani 1 1 d . . .
H23A H 0.9016 1.0816 0.5782 0.042 Uiso 1 1 calc R . .
H23B H 1.0566 1.0214 0.5906 0.042 Uiso 1 1 calc R . .
C24 C 0.9452(5) 1.1500(3) 0.6797(3) 0.0390(10) Uani 1 1 d . . .
H24A H 0.9903 1.1904 0.6395 0.059 Uiso 1 1 calc R . .
H24B H 0.9951 1.1280 0.7263 0.059 Uiso 1 1 calc R . .
H24C H 0.8442 1.1901 0.7093 0.059 Uiso 1 1 calc R . .
C25 C 0.8187(4) 0.4247(3) 0.1858(2) 0.0228(7) Uani 1 1 d . . .
C26 C 0.6670(4) 0.4818(3) 0.2405(3) 0.0303(9) Uani 1 1 d . . .
H26A H 0.6364 0.5500 0.2210 0.036 Uiso 1 1 calc R . .
H26B H 0.6628 0.4877 0.3057 0.036 Uiso 1 1 calc R . .
C27 C 0.5624(5) 0.4318(4) 0.2298(3) 0.0434(11) Uani 1 1 d . . .
H27A H 0.5861 0.3668 0.2558 0.052 Uiso 1 1 calc R . .
H27B H 0.4634 0.4742 0.2646 0.052 Uiso 1 1 calc R . .
C28 C 0.5685(6) 0.4154(4) 0.1311(4) 0.0627(16) Uani 1 1 d . . .
H28A H 0.4958 0.3878 0.1276 0.094 Uiso 1 1 calc R . .
H28B H 0.6640 0.3687 0.0975 0.094 Uiso 1 1 calc R . .
H28C H 0.5497 0.4792 0.1043 0.094 Uiso 1 1 calc R . .
C29 C 1.0234(4) 0.3096(3) 0.1342(2) 0.0230(7) Uani 1 1 d . . .
C30 C 1.1446(4) 0.2117(3) 0.1190(3) 0.0308(9) Uani 1 1 d . . .
H30A H 1.1706 0.1969 0.1765 0.037 Uiso 1 1 calc R . .
H30B H 1.2294 0.2164 0.0728 0.037 Uiso 1 1 calc R . .
C31 C 1.1069(5) 0.1262(3) 0.0869(3) 0.0431(11) Uani 1 1 d . . .
H31A H 1.1902 0.0632 0.0792 0.052 Uiso 1 1 calc R . .
H31B H 1.0256 0.1195 0.1350 0.052 Uiso 1 1 calc R . .
C32 C 1.0671(6) 0.1398(4) -0.0012(3) 0.0543(14) Uani 1 1 d . . .
H32A H 1.0514 0.0804 -0.0197 0.081 Uiso 1 1 calc R . .
H32B H 1.1451 0.1496 -0.0487 0.081 Uiso 1 1 calc R . .
H32C H 0.9789 0.1983 0.0074 0.081 Uiso 1 1 calc 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 N8 2.185(3) 2_676 ?
Ag1 N1 2.239(3) . ?
Ag1 N4 2.358(3) . ?
Ag1 N5 2.472(3) 2_676 ?
Ag1 Ag2 3.2737(4) . ?
Ag2 N7 2.139(3) . ?
Ag2 N2 2.157(3) . ?
Ag2 N5 2.530(3) 2_676 ?
Ag3 N11 2.172(3) 2_765 ?
Ag3 N3 2.220(3) . ?
Ag3 N10 2.273(3) . ?
Ag4 N12 2.157(3) . ?
Ag4 N6 2.163(3) 1_545 ?
Ag4 N9 2.374(3) 2_766 ?
N1 C1 1.321(5) . ?
N1 N2 1.385(4) . ?
N2 C5 1.319(4) . ?
N3 C5 1.349(5) . ?
N3 C1 1.358(5) . ?
N4 C9 1.326(4) . ?
N4 N5 1.393(4) . ?
N5 C13 1.328(5) . ?
N5 Ag1 2.472(3) 2_676 ?
N5 Ag2 2.530(3) 2_676 ?
N6 C13 1.352(5) . ?
N6 C9 1.355(5) . ?
N6 Ag4 2.163(3) 1_565 ?
N7 C17 1.324(5) . ?
N7 N8 1.386(4) . ?
N8 C21 1.319(4) . ?
N8 Ag1 2.185(3) 2_676 ?
N9 C17 1.355(5) . ?
N9 C21 1.358(4) . ?
N9 Ag4 2.374(3) 2_766 ?
N10 C25 1.320(4) . ?
N10 N11 1.384(4) . ?
N11 C29 1.326(5) . ?
N11 Ag3 2.172(3) 2_765 ?
N12 C29 1.353(5) . ?
N12 C25 1.354(5) . ?
C1 C2 1.491(5) . ?
C2 C3 1.523(5) . ?
C3 C4 1.527(6) . ?
C5 C6 1.494(5) . ?
C6 C7 1.539(5) . ?
C7 C8 1.518(6) . ?
C9 C10 1.497(5) . ?
C10 C11 1.538(5) . ?
C11 C12 1.515(6) . ?
C13 C14 1.496(5) . ?
C14 C15 1.538(5) . ?
C15 C16 1.527(6) . ?
C17 C18 1.495(5) . ?
C18 C19 1.535(6) . ?
C19 C20 1.508(7) . ?
C21 C22 1.494(5) . ?
C22 C23 1.516(5) . ?
C23 C24 1.526(5) . ?
C25 C26 1.498(5) . ?
C26 C27 1.536(6) . ?
C27 C28 1.512(7) . ?
C29 C30 1.492(5) . ?
C30 C31 1.534(6) . ?
C31 C32 1.509(7) . ?

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
N8 Ag1 N1 139.87(11) 2_676 . ?
N8 Ag1 N4 108.00(11) 2_676 . ?
N1 Ag1 N4 102.44(11) . . ?
N8 Ag1 N5 105.56(10) 2_676 2_676 ?
N1 Ag1 N5 97.97(10) . 2_676 ?
N4 Ag1 N5 93.39(10) . 2_676 ?
N8 Ag1 Ag2 152.67(8) 2_676 . ?
N1 Ag1 Ag2 64.47(8) . . ?
N4 Ag1 Ag2 67.43(7) . . ?
N5 Ag1 Ag2 49.89(7) 2_676 . ?
N7 Ag2 N2 153.29(11) . . ?
N7 Ag2 N5 107.88(11) . 2_676 ?
N2 Ag2 N5 98.40(10) . 2_676 ?
N7 Ag2 Ag1 138.77(8) . . ?
N2 Ag2 Ag1 64.47(8) . . ?
N5 Ag2 Ag1 48.36(7) 2_676 . ?
N11 Ag3 N3 129.37(11) 2_765 . ?
N11 Ag3 N10 120.89(11) 2_765 . ?
N3 Ag3 N10 103.76(11) . . ?
N12 Ag4 N6 148.39(12) . 1_545 ?
N12 Ag4 N9 112.56(11) . 2_766 ?
N6 Ag4 N9 98.93(11) 1_545 2_766 ?
C1 N1 N2 105.8(3) . . ?
C1 N1 Ag1 141.5(3) . . ?
N2 N1 Ag1 112.3(2) . . ?
C5 N2 N1 106.8(3) . . ?
C5 N2 Ag2 134.8(2) . . ?
N1 N2 Ag2 118.4(2) . . ?
C5 N3 C1 103.6(3) . . ?
C5 N3 Ag3 121.0(2) . . ?
C1 N3 Ag3 135.3(2) . . ?
C9 N4 N5 105.8(3) . . ?
C9 N4 Ag1 129.2(2) . . ?
N5 N4 Ag1 120.5(2) . . ?
C13 N5 N4 106.0(3) . . ?
C13 N5 Ag1 117.2(2) . 2_676 ?
N4 N5 Ag1 118.8(2) . 2_676 ?
C13 N5 Ag2 122.0(2) . 2_676 ?
N4 N5 Ag2 110.3(2) . 2_676 ?
Ag1 N5 Ag2 81.75(9) 2_676 2_676 ?
C13 N6 C9 103.2(3) . . ?
C13 N6 Ag4 125.3(2) . 1_565 ?
C9 N6 Ag4 131.4(2) . 1_565 ?
C17 N7 N8 106.4(3) . . ?
C17 N7 Ag2 133.5(2) . . ?
N8 N7 Ag2 117.6(2) . . ?
C21 N8 N7 105.9(3) . . ?
C21 N8 Ag1 131.9(2) . 2_676 ?
N7 N8 Ag1 120.0(2) . 2_676 ?
C17 N9 C21 102.8(3) . . ?
C17 N9 Ag4 135.4(2) . 2_766 ?
C21 N9 Ag4 120.1(2) . 2_766 ?
C25 N10 N11 106.1(3) . . ?
C25 N10 Ag3 134.9(2) . . ?
N11 N10 Ag3 118.7(2) . . ?
C29 N11 N10 106.6(3) . . ?
C29 N11 Ag3 133.7(2) . 2_765 ?
N10 N11 Ag3 117.5(2) . 2_765 ?
C29 N12 C25 103.6(3) . . ?
C29 N12 Ag4 126.7(2) . . ?
C25 N12 Ag4 129.7(2) . . ?
N1 C1 N3 112.0(3) . . ?
N1 C1 C2 124.1(3) . . ?
N3 C1 C2 123.9(3) . . ?
C1 C2 C3 114.1(3) . . ?
C2 C3 C4 112.3(4) . . ?
N2 C5 N3 111.8(3) . . ?
N2 C5 C6 124.1(3) . . ?
N3 C5 C6 124.1(3) . . ?
C5 C6 C7 112.4(3) . . ?
C8 C7 C6 112.8(3) . . ?
N4 C9 N6 112.5(3) . . ?
N4 C9 C10 123.3(3) . . ?
N6 C9 C10 124.1(3) . . ?
C9 C10 C11 112.2(3) . . ?
C12 C11 C10 112.8(3) . . ?
N5 C13 N6 112.4(3) . . ?
N5 C13 C14 123.7(3) . . ?
N6 C13 C14 123.9(3) . . ?
C13 C14 C15 113.5(3) . . ?
C16 C15 C14 112.4(3) . . ?
N7 C17 N9 112.2(3) . . ?
N7 C17 C18 123.2(3) . . ?
N9 C17 C18 124.5(3) . . ?
C17 C18 C19 112.3(3) . . ?
C20 C19 C18 112.3(4) . . ?
N8 C21 N9 112.7(3) . . ?
N8 C21 C22 123.0(3) . . ?
N9 C21 C22 124.2(3) . . ?
C21 C22 C23 113.3(3) . . ?
C22 C23 C24 111.8(3) . . ?
N10 C25 N12 112.2(3) . . ?
N10 C25 C26 123.5(3) . . ?
N12 C25 C26 124.3(3) . . ?
C25 C26 C27 112.5(3) . . ?
C28 C27 C26 112.1(4) . . ?
N11 C29 N12 111.5(3) . . ?
N11 C29 C30 124.4(3) . . ?
N12 C29 C30 124.0(3) . . ?
C29 C30 C31 112.3(4) . . ?
C32 C31 C30 114.1(4) . . ?

_diffrn_measured_fraction_theta_max 0.983
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.983
_refine_diff_density_max         1.593
_refine_diff_density_min         -0.497
_refine_diff_density_rms         0.161
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_4b
_database_code_depnum_ccdc_archive 'CCDC 1041677'
_audit_update_record             
;
2014-12-31 deposited with the CCDC.
2015-03-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C56 H99 Ag7 N21 O0.50'
_chemical_formula_weight         1829.65
_chemical_absolute_configuration unk

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

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                   25.5782(15)
_cell_length_b                   25.6108(15)
_cell_length_c                   11.5927(7)
_cell_angle_alpha                90.0000(10)
_cell_angle_beta                 90.0000(10)
_cell_angle_gamma                90.0000(10)
_cell_volume                     7594.1(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    113(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.600
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3660
_exptl_absorpt_coefficient_mu    1.815
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6498
_exptl_absorpt_correction_T_max  0.7359
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      113(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            59587
_diffrn_reflns_av_R_equivalents  0.0428
_diffrn_reflns_av_sigmaI/netI    0.0383
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         0.80
_diffrn_reflns_theta_max         26.00
_reflns_number_total             14950
_reflns_number_gt                14598
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 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)+(0.0614P)²+3.0403P] 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   0.22(4)
_refine_ls_number_reflns         14950
_refine_ls_number_parameters     795
_refine_ls_number_restraints     10
_refine_ls_R_factor_all          0.0408
_refine_ls_R_factor_gt           0.0394
_refine_ls_wR_factor_ref         0.1010
_refine_ls_wR_factor_gt          0.0988
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_restrained_S_all      1.087
_refine_ls_shift/su_max          0.006
_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 0.267798(13) 0.172415(13) 0.28060(3) 0.03039(8) Uani 1 1 d . . .
Ag2 Ag 0.338222(13) 0.283483(13) 0.22372(3) 0.03328(8) Uani 1 1 d . . .
Ag3 Ag 0.154444(13) 0.236900(12) 0.21459(3) 0.02942(8) Uani 1 1 d . . .
Ag4 Ag 0.237858(13) 0.251036(15) 0.75049(3) 0.03389(8) Uani 1 1 d . . .
Ag5 Ag 0.223532(13) 0.348347(13) 0.27064(3) 0.02969(8) Uani 1 1 d . . .
Ag6 Ag -0.008399(13) 0.371014(13) 0.49451(4) 0.03936(9) Uani 1 1 d . . .
Ag7 Ag 0.130196(15) 0.001514(16) 0.03035(4) 0.04453(10) Uani 1 1 d . . .
N1 N 0.34459(14) 0.18228(15) 0.3552(3) 0.0311(10) Uani 1 1 d . . .
N2 N 0.37894(15) 0.22075(15) 0.3162(3) 0.0340(10) Uani 1 1 d . . .
N3 N 0.42434(16) 0.16952(14) 0.4282(4) 0.0377(11) Uani 1 1 d . . .
N4 N 0.28737(14) 0.39072(14) 0.1859(3) 0.0313(10) Uani 1 1 d . . .
N5 N 0.32541(15) 0.35840(14) 0.1394(4) 0.0331(10) Uani 1 1 d . . .
N6 N 0.33140(15) 0.43572(15) 0.0521(4) 0.0346(10) Uani 1 1 d . . .
N7 N 0.16264(14) 0.15503(14) 0.1644(3) 0.0303(9) Uani 1 1 d . . .
N8 N 0.19930(14) 0.12841(15) 0.2269(4) 0.0356(10) Uani 1 1 d . . .
N9 N 0.15654(16) 0.07095(15) 0.1203(4) 0.0395(11) Uani 1 1 d . . .
N10 N 0.23077(14) 0.27458(14) 1.1116(3) 0.0272(9) Uani 1 1 d . . .
N11 N 0.26730(15) 0.23349(14) 1.1076(3) 0.0282(9) Uani 1 1 d . . .
N12 N 0.24277(14) 0.25198(14) 0.9270(3) 0.0286(9) Uani 1 1 d . . .
N13 N 0.26010(15) 0.27909(14) 0.3971(3) 0.0291(9) Uani 1 1 d . . .
N14 N 0.21965(15) 0.24265(14) 0.3873(3) 0.0285(9) Uani 1 1 d . . .
N15 N 0.23667(14) 0.25363(15) 0.5716(3) 0.0292(10) Uani 1 1 d . . .
N16 N 0.11311(14) 0.30751(14) 0.2647(4) 0.0367(10) Uani 1 1 d . . .
N17 N 0.14249(14) 0.34070(14) 0.3345(3) 0.0333(10) Uani 1 1 d . . .
N18 N 0.05989(15) 0.34363(15) 0.3942(3) 0.0317(10) Uani 1 1 d . . .
N19 N 0.04365(15) -0.00220(16) -0.0109(4) 0.0435(11) Uani 1 1 d . . .
N20 N -0.00020(18) 0.45620(14) 0.5360(4) 0.0415(11) Uani 1 1 d . . .
C1 C 0.3720(2) 0.15325(19) 0.4228(4) 0.0403(13) Uani 1 1 d . . .
C2 C 0.3471(3) 0.1090(2) 0.4899(6) 0.0681(19) Uani 1 1 d . . .
H2A H 0.3087 0.1128 0.4750 0.082 Uiso 1 1 calc R . .
C3 C 0.3631(3) 0.0556(3) 0.4240(10) 0.131(5) Uani 1 1 d . . .
H3A H 0.3503 0.0568 0.3443 0.196 Uiso 1 1 calc R . .
H3B H 0.3474 0.0257 0.4638 0.196 Uiso 1 1 calc R . .
H3C H 0.4012 0.0520 0.4238 0.196 Uiso 1 1 calc R . .
C4 C 0.3521(3) 0.1149(3) 0.6140(6) 0.107(3) Uani 1 1 d . . .
H4A H 0.3400 0.1497 0.6367 0.161 Uiso 1 1 calc R . .
H4B H 0.3889 0.1107 0.6361 0.161 Uiso 1 1 calc R . .
H4C H 0.3310 0.0883 0.6529 0.161 Uiso 1 1 calc R . .
C5 C 0.42453(18) 0.21131(16) 0.3602(4) 0.0290(11) Uani 1 1 d . . .
C6 C 0.47400(17) 0.2424(2) 0.3381(4) 0.0362(12) Uani 1 1 d . . .
H6A H 0.4999 0.2320 0.3985 0.043 Uiso 1 1 calc R . .
C7 C 0.4980(2) 0.2292(2) 0.2217(5) 0.0550(16) Uani 1 1 d . . .
H7A H 0.5338 0.2429 0.2183 0.083 Uiso 1 1 calc R . .
H7B H 0.4771 0.2451 0.1602 0.083 Uiso 1 1 calc R . .
H7C H 0.4987 0.1913 0.2117 0.083 Uiso 1 1 calc R . .
C8 C 0.4651(2) 0.3015(2) 0.3508(5) 0.0494(16) Uani 1 1 d . . .
H8A H 0.4635 0.3106 0.4328 0.074 Uiso 1 1 calc R . .
H8B H 0.4321 0.3112 0.3134 0.074 Uiso 1 1 calc R . .
H8C H 0.4940 0.3204 0.3143 0.074 Uiso 1 1 calc R . .
C9 C 0.29270(18) 0.43530(18) 0.1333(4) 0.0336(12) Uani 1 1 d . . .
C10 C 0.2616(2) 0.48353(17) 0.1593(4) 0.0360(12) Uani 1 1 d . . .
H10A H 0.2717 0.5109 0.1021 0.043 Uiso 1 1 calc R . .
C11 C 0.2746(2) 0.5046(2) 0.2819(5) 0.0517(15) Uani 1 1 d . . .
H11A H 0.3107 0.5174 0.2834 0.077 Uiso 1 1 calc R . .
H11B H 0.2706 0.4764 0.3384 0.077 Uiso 1 1 calc R . .
H11C H 0.2507 0.5332 0.3011 0.077 Uiso 1 1 calc R . .
C12 C 0.2016(2) 0.4749(2) 0.1501(5) 0.0428(14) Uani 1 1 d . . .
H12A H 0.1927 0.4644 0.0712 0.064 Uiso 1 1 calc R . .
H12B H 0.1834 0.5075 0.1690 0.064 Uiso 1 1 calc R . .
H12C H 0.1909 0.4475 0.2041 0.064 Uiso 1 1 calc R . .
C13 C 0.34965(19) 0.38535(17) 0.0563(5) 0.0364(13) Uani 1 1 d . . .
C14 C 0.3921(2) 0.36689(19) -0.0213(5) 0.0491(15) Uani 1 1 d . . .
H14A H 0.4231 0.3904 -0.0144 0.059 Uiso 1 1 calc R . .
C15 C 0.4079(2) 0.3131(2) -0.0056(5) 0.0618(17) Uani 1 1 d . . .
H15A H 0.4333 0.3110 0.0575 0.093 Uiso 1 1 calc R . .
H15B H 0.4238 0.3002 -0.0768 0.093 Uiso 1 1 calc R . .
H15C H 0.3772 0.2919 0.0133 0.093 Uiso 1 1 calc R . .
C16 C 0.3693(3) 0.3695(4) -0.1486(5) 0.084(3) Uani 1 1 d . . .
H16A H 0.3610 0.4058 -0.1680 0.126 Uiso 1 1 calc R . .
H16B H 0.3376 0.3482 -0.1535 0.126 Uiso 1 1 calc R . .
H16C H 0.3954 0.3561 -0.2029 0.126 Uiso 1 1 calc R . .
C17 C 0.13817(18) 0.1201(2) 0.1007(4) 0.0363(13) Uani 1 1 d . . .
C18 C 0.0972(2) 0.1323(3) 0.0128(5) 0.0579(17) Uani 1 1 d . . .
H18A H 0.0766 0.0991 0.0091 0.069 Uiso 1 1 calc R . .
C19 C 0.0575(3) 0.1711(3) 0.0475(6) 0.102(3) Uani 1 1 d . . .
H19A H 0.0428 0.1613 0.1225 0.154 Uiso 1 1 calc R . .
H19B H 0.0296 0.1721 -0.0103 0.154 Uiso 1 1 calc R . .
H19C H 0.0739 0.2056 0.0533 0.154 Uiso 1 1 calc R . .
C20 C 0.1205(3) 0.1362(3) -0.1082(5) 0.077(2) Uani 1 1 d . . .
H20A H 0.0923 0.1364 -0.1654 0.116 Uiso 1 1 calc R . .
H20B H 0.1435 0.1062 -0.1221 0.116 Uiso 1 1 calc R . .
H20C H 0.1408 0.1685 -0.1147 0.116 Uiso 1 1 calc R . .
C21 C 0.19421(17) 0.07740(18) 0.1984(4) 0.0350(12) Uani 1 1 d . . .
C22 C 0.2263(2) 0.0370(2) 0.2607(5) 0.0499(15) Uani 1 1 d . . .
H22A H 0.2492 0.0556 0.3172 0.060 Uiso 1 1 calc R . .
C23 C 0.1932(3) -0.0021(3) 0.3274(8) 0.095(3) Uani 1 1 d . . .
H23A H 0.1738 0.0161 0.3881 0.143 Uiso 1 1 calc R . .
H23B H 0.2160 -0.0285 0.3624 0.143 Uiso 1 1 calc R . .
H23C H 0.1686 -0.0192 0.2748 0.143 Uiso 1 1 calc R . .
C24 C 0.2606(2) 0.0093(3) 0.1771(5) 0.0658(19) Uani 1 1 d . . .
H24A H 0.2785 -0.0195 0.2163 0.099 Uiso 1 1 calc R . .
H24B H 0.2865 0.0337 0.1462 0.099 Uiso 1 1 calc R . .
H24C H 0.2394 -0.0046 0.1139 0.099 Uiso 1 1 calc R . .
C25 C 0.21908(15) 0.28483(15) 1.0027(3) 0.0227(9) Uani 1 1 d . . .
C26 C 0.18185(18) 0.32776(17) 0.9708(4) 0.0314(11) Uani 1 1 d . . .
H26A H 0.1698 0.3453 1.0431 0.038 Uiso 1 1 calc R . .
C27 C 0.2092(2) 0.36860(18) 0.8941(4) 0.0398(13) Uani 1 1 d . . .
H27A H 0.2376 0.3852 0.9376 0.060 Uiso 1 1 calc R . .
H27B H 0.1839 0.3952 0.8703 0.060 Uiso 1 1 calc R . .
H27C H 0.2237 0.3514 0.8256 0.060 Uiso 1 1 calc R . .
C28 C 0.13363(19) 0.3060(2) 0.9067(4) 0.0398(13) Uani 1 1 d . . .
H28A H 0.1167 0.2793 0.9545 0.060 Uiso 1 1 calc R . .
H28B H 0.1447 0.2903 0.8335 0.060 Uiso 1 1 calc R . .
H28C H 0.1089 0.3344 0.8914 0.060 Uiso 1 1 calc R . .
C29 C 0.27293(18) 0.22155(16) 0.9966(4) 0.0264(10) Uani 1 1 d . . .
C30 C 0.30697(19) 0.1776(2) 0.9509(4) 0.0381(13) Uani 1 1 d . . .
H30A H 0.3230 0.1904 0.8775 0.046 Uiso 1 1 calc R . .
C31 C 0.3504(2) 0.1637(2) 1.0283(5) 0.0539(16) Uani 1 1 d . . .
H31A H 0.3718 0.1948 1.0432 0.081 Uiso 1 1 calc R . .
H31B H 0.3720 0.1368 0.9919 0.081 Uiso 1 1 calc R . .
H31C H 0.3364 0.1504 1.1013 0.081 Uiso 1 1 calc R . .
C32 C 0.2707(2) 0.1298(2) 0.9178(5) 0.0542(16) Uani 1 1 d . . .
H32A H 0.2409 0.1423 0.8722 0.081 Uiso 1 1 calc R . .
H32B H 0.2578 0.1130 0.9882 0.081 Uiso 1 1 calc R . .
H32C H 0.2907 0.1045 0.8723 0.081 Uiso 1 1 calc R . .
C33 C 0.26816(18) 0.28560(16) 0.5077(3) 0.0284(10) Uani 1 1 d . . .
C34 C 0.31065(18) 0.3189(2) 0.5618(4) 0.0348(12) Uani 1 1 d . . .
H34A H 0.2963 0.3352 0.6336 0.042 Uiso 1 1 calc R . .
C35 C 0.3292(2) 0.3620(2) 0.4826(4) 0.0437(14) Uani 1 1 d . . .
H35A H 0.2992 0.3767 0.4411 0.065 Uiso 1 1 calc R . .
H35B H 0.3543 0.3478 0.4271 0.065 Uiso 1 1 calc R . .
H35C H 0.3460 0.3894 0.5283 0.065 Uiso 1 1 calc R . .
C36 C 0.35767(19) 0.2828(2) 0.5960(4) 0.0422(14) Uani 1 1 d . . .
H36A H 0.3459 0.2568 0.6522 0.063 Uiso 1 1 calc R . .
H36B H 0.3856 0.3040 0.6300 0.063 Uiso 1 1 calc R . .
H36C H 0.3709 0.2650 0.5270 0.063 Uiso 1 1 calc R . .
C37 C 0.20828(18) 0.22907(17) 0.4928(4) 0.0292(11) Uani 1 1 d . . .
C38 C 0.1649(2) 0.19120(19) 0.5188(4) 0.0391(13) Uani 1 1 d . . .
H38A H 0.1518 0.1780 0.4430 0.047 Uiso 1 1 calc R . .
C39 C 0.1190(2) 0.2166(2) 0.5785(5) 0.0468(15) Uani 1 1 d . . .
H39A H 0.1063 0.2459 0.5318 0.070 Uiso 1 1 calc R . .
H39B H 0.1299 0.2294 0.6544 0.070 Uiso 1 1 calc R . .
H39C H 0.0909 0.1909 0.5880 0.070 Uiso 1 1 calc R . .
C40 C 0.1843(2) 0.1436(2) 0.5863(5) 0.0478(15) Uani 1 1 d . . .
H40A H 0.2174 0.1315 0.5534 0.072 Uiso 1 1 calc R . .
H40B H 0.1582 0.1156 0.5813 0.072 Uiso 1 1 calc R . .
H40C H 0.1895 0.1533 0.6673 0.072 Uiso 1 1 calc R . .
C41 C 0.06422(17) 0.31151(16) 0.3049(4) 0.0353(13) Uani 1 1 d . . .
C42 C 0.0191(2) 0.2795(2) 0.2506(5) 0.0501(15) Uani 1 1 d . . .
H42A H 0.0328 0.2637 0.1777 0.060 Uiso 1 1 calc R . .
C43 C -0.0259(3) 0.3144(3) 0.2182(8) 0.109(3) Uani 1 1 d . . .
H43A H -0.0487 0.2962 0.1634 0.164 Uiso 1 1 calc R . .
H43B H -0.0124 0.3464 0.1826 0.164 Uiso 1 1 calc R . .
H43C H -0.0459 0.3234 0.2876 0.164 Uiso 1 1 calc R . .
C44 C 0.0053(3) 0.2354(3) 0.3298(6) 0.110(2) Uani 1 1 d . . .
H44A H -0.0118 0.2075 0.2857 0.165 Uiso 1 1 calc R . .
H44B H -0.0186 0.2480 0.3898 0.165 Uiso 1 1 calc R . .
H44C H 0.0371 0.2217 0.3658 0.165 Uiso 1 1 calc R . .
C45 C 0.10956(18) 0.36093(17) 0.4095(4) 0.0289(11) Uani 1 1 d . . .
C46 C 0.12451(17) 0.39661(17) 0.5067(4) 0.0309(11) Uani 1 1 d . . .
H46A H 0.0995 0.4266 0.5071 0.037 Uiso 1 1 calc R . .
C47 C 0.1799(2) 0.4187(2) 0.5003(6) 0.0577(18) Uani 1 1 d . . .
H47A H 0.1846 0.4371 0.4268 0.086 Uiso 1 1 calc R . .
H47B H 0.2053 0.3901 0.5057 0.086 Uiso 1 1 calc R . .
H47C H 0.1854 0.4432 0.5642 0.086 Uiso 1 1 calc R . .
C48 C 0.1181(3) 0.3670(3) 0.6201(4) 0.0611(19) Uani 1 1 d . . .
H48A H 0.0859 0.3462 0.6174 0.092 Uiso 1 1 calc R . .
H48B H 0.1160 0.3919 0.6841 0.092 Uiso 1 1 calc R . .
H48C H 0.1481 0.3438 0.6316 0.092 Uiso 1 1 calc R . .
C49 C 0.0000 0.0000 0.0491(6) 0.0367(17) Uani 1 2 d S . .
C50 C 0.0000 0.0000 0.1893(8) 0.056(2) Uani 1 2 d SD . .
H50A H -0.0380 -0.0013 0.2097 0.067 Uiso 0.50 1 calc PR A .
C51 C 0.0208(5) -0.0485(2) 0.2364(9) 0.084(3) Uani 0.50 1 d PD A -1
H51A H 0.0201 -0.0469 0.3209 0.126 Uiso 0.50 1 calc PR A -1
H51B H 0.0569 -0.0533 0.2100 0.126 Uiso 0.50 1 calc PR A -1
H51C H -0.0006 -0.0779 0.2100 0.126 Uiso 0.50 1 calc PR A -1
C51' C 0.0173(5) 0.0501(2) 0.2361(9) 0.084(3) Uani 0.50 1 d PD A -1
H51D H 0.0168 0.0486 0.3206 0.126 Uiso 0.50 1 calc PR A -1
H51E H -0.0062 0.0778 0.2096 0.126 Uiso 0.50 1 calc PR A -1
H51F H 0.0529 0.0574 0.2095 0.126 Uiso 0.50 1 calc PR A -1
C52 C 0.02676(17) -0.0017(2) -0.1223(4) 0.0476(14) Uani 0.50 1 d PD . 1
C53 C 0.0643(3) -0.0076(2) -0.2238(5) 0.040(2) Uiso 0.50 1 d PD B 1
H53A H 0.0968 -0.0093 -0.1762 0.048 Uiso 0.50 1 calc PR B 1
C54 C 0.0892(4) 0.0181(3) -0.3258(6) 0.054(3) Uiso 0.50 1 d PD B 1
H54A H 0.1011 -0.0087 -0.3802 0.081 Uiso 0.50 1 calc PR B 1
H54B H 0.1192 0.0390 -0.3002 0.081 Uiso 0.50 1 calc PR B 1
H54C H 0.0637 0.0409 -0.3638 0.081 Uiso 0.50 1 calc PR B 1
C55 C 0.0629(7) -0.0657(2) -0.2539(12) 0.100(5) Uiso 0.50 1 d PD B 1
H55A H 0.0862 -0.0725 -0.3192 0.151 Uiso 0.50 1 calc PR B 1
H55B H 0.0271 -0.0758 -0.2745 0.151 Uiso 0.50 1 calc PR B 1
H55C H 0.0744 -0.0862 -0.1871 0.151 Uiso 0.50 1 calc PR B 1
N52 N 0.02676(17) -0.0017(2) -0.1223(4) 0.0476(14) Uani 0.50 1 d P . 2
C56 C 0.0000 0.5000 0.4729(6) 0.0403(18) Uani 1 2 d S . .
C57 C 0.0000 0.5000 0.3427(7) 0.071(3) Uani 1 2 d S . .
H57A H -0.0005 0.5390 0.3427 0.085 Uiso 0.50 1 calc PR . .
C58 C 0.0540(3) 0.5007(6) 0.2839(7) 0.174(6) Uani 1 1 d . . .
H58A H 0.0503 0.5135 0.2046 0.261 Uiso 1 1 calc R . .
H58B H 0.0684 0.4653 0.2829 0.261 Uiso 1 1 calc R . .
H58C H 0.0775 0.5238 0.3269 0.261 Uiso 1 1 calc R . .
C59 C 0.0000(2) 0.47424(15) 0.6504(3) 0.0409(12) Uani 0.50 1 d PD . 1
C60 C -0.0016(2) 0.4347(3) 0.7479(5) 0.058(3) Uani 0.50 1 d PD C 1
H60A H 0.0103 0.4004 0.7159 0.069 Uiso 0.50 1 calc PR C 1
C61 C -0.0551(2) 0.4266(6) 0.7980(10) 0.082(4) Uiso 0.50 1 d PD C 1
H61A H -0.0791 0.4152 0.7371 0.123 Uiso 0.50 1 calc PR C 1
H61B H -0.0677 0.4595 0.8311 0.123 Uiso 0.50 1 calc PR C 1
H61C H -0.0535 0.4000 0.8585 0.123 Uiso 0.50 1 calc PR C 1
C62 C 0.0387(3) 0.4524(5) 0.8329(8) 0.068(4) Uiso 0.50 1 d PD C 1
H62A H 0.0727 0.4549 0.7946 0.102 Uiso 0.50 1 calc PR C 1
H62B H 0.0408 0.4273 0.8964 0.102 Uiso 0.50 1 calc PR C 1
H62C H 0.0288 0.4867 0.8634 0.102 Uiso 0.50 1 calc PR C 1
N59 N 0.0000(2) 0.47424(15) 0.6504(3) 0.0409(12) Uani 0.50 1 d P . 2
O1W O 0.0875(7) 0.4415(7) 0.0045(16) 0.163(7) Uiso 0.50 1 d P . .


_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 2.161(4) . ?
Ag1 N8 2.174(4) . ?
Ag1 N14 2.507(4) . ?
Ag1 N11 2.543(4) 1_554 ?
Ag2 N5 2.178(4) . ?
Ag2 N2 2.195(4) . ?
Ag2 N11 2.597(4) 1_554 ?
Ag3 N16 2.174(4) . ?
Ag3 N7 2.186(4) . ?
Ag3 N10 2.484(4) 1_554 ?
Ag3 N14 2.610(4) . ?
Ag4 N12 2.050(3) . ?
Ag4 N15 2.075(3) . ?
Ag5 N4 2.193(4) . ?
Ag5 N17 2.210(4) . ?
Ag5 N13 2.484(4) . ?
Ag6 N3 2.200(4) 4_456 ?
Ag6 N18 2.212(4) . ?
Ag6 N20 2.244(4) . ?
Ag7 N9 2.169(4) . ?
Ag7 N6 2.172(4) 3_545 ?
Ag7 N19 2.267(4) . ?
N1 C1 1.288(6) . ?
N1 N2 1.395(5) . ?
N2 C5 1.295(6) . ?
N3 C5 1.329(6) . ?
N3 C1 1.404(7) . ?
N3 Ag6 2.200(4) 4_556 ?
N4 C9 1.301(6) . ?
N4 N5 1.386(5) . ?
N5 C13 1.338(6) . ?
N6 C9 1.366(6) . ?
N6 C13 1.373(6) . ?
N6 Ag7 2.172(4) 3 ?
N7 C17 1.318(6) . ?
N7 N8 1.366(5) . ?
N8 C21 1.354(6) . ?
N9 C21 1.332(6) . ?
N9 C17 1.363(6) . ?
N10 C25 1.324(5) . ?
N10 N11 1.408(5) . ?
N10 Ag3 2.484(4) 1_556 ?
N11 C29 1.331(5) . ?
N11 Ag1 2.543(4) 1_556 ?
N11 Ag2 2.597(4) 1_556 ?
N12 C25 1.358(5) . ?
N12 C29 1.361(5) . ?
N13 C33 1.309(5) . ?
N13 N14 1.398(5) . ?
N14 C37 1.304(5) . ?
N15 C37 1.326(6) . ?
N15 C33 1.367(6) . ?
N16 C41 1.338(6) . ?
N16 N17 1.394(5) . ?
N17 C45 1.316(6) . ?
N18 C41 1.328(6) . ?
N18 C45 1.357(6) . ?
N19 C49 1.317(5) . ?
N19 C52 1.362(6) . ?
N20 C56 1.339(6) . ?
N20 C59 1.404(6) . ?
C1 C2 1.516(8) . ?
C2 C4 1.452(9) . ?
C2 C3 1.619(10) . ?
C5 C6 1.517(6) . ?
C6 C7 1.520(7) . ?
C6 C8 1.537(7) . ?
C9 C10 1.499(6) . ?
C10 C12 1.554(7) . ?
C10 C11 1.555(7) . ?
C13 C14 1.486(7) . ?
C14 C15 1.446(8) . ?
C14 C16 1.588(8) . ?
C17 C18 1.495(7) . ?
C18 C19 1.476(10) . ?
C18 C20 1.528(9) . ?
C21 C22 1.505(7) . ?
C22 C24 1.488(8) . ?
C22 C23 1.521(9) . ?
C25 C26 1.501(6) . ?
C26 C27 1.541(7) . ?
C26 C28 1.544(7) . ?
C29 C30 1.518(7) . ?
C30 C31 1.473(8) . ?
C30 C32 1.583(7) . ?
C33 C34 1.518(6) . ?
C34 C35 1.511(7) . ?
C34 C36 1.569(7) . ?
C37 C38 1.504(7) . ?
C38 C39 1.511(7) . ?
C38 C40 1.530(7) . ?
C41 C42 1.550(7) . ?
C42 C44 1.498(9) . ?
C42 C43 1.505(9) . ?
C45 C46 1.500(6) . ?
C46 C48 1.527(7) . ?
C46 C47 1.528(7) . ?
C49 N19 1.317(5) 2 ?
C49 C50 1.625(11) . ?
C50 C51 1.457(7) 2 ?
C50 C51 1.457(7) . ?
C50 C51' 1.462(8) . ?
C50 C51' 1.462(8) 2 ?
C52 C52 1.372(9) 2 ?
C52 C53 1.526(6) . ?
C53 C54 1.496(7) . ?
C53 C55 1.529(7) . ?
C56 N20 1.339(6) 2_565 ?
C56 C57 1.510(11) . ?
C57 C58 1.540(9) . ?
C57 C58 1.540(9) 2_565 ?
C59 C59 1.319(8) 2_565 ?
C59 C60 1.519(6) . ?
C60 C62 1.497(8) . ?
C60 C61 1.502(7) . ?

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 N8 155.18(14) . . ?
N1 Ag1 N14 99.51(13) . . ?
N8 Ag1 N14 96.74(13) . . ?
N1 Ag1 N11 104.38(13) . 1_554 ?
N8 Ag1 N11 95.09(14) . 1_554 ?
N14 Ag1 N11 86.88(11) . 1_554 ?
N5 Ag2 N2 159.33(14) . . ?
N5 Ag2 N11 95.55(13) . 1_554 ?
N2 Ag2 N11 102.94(13) . 1_554 ?
N16 Ag3 N7 156.30(14) . . ?
N16 Ag3 N10 100.81(13) . 1_554 ?
N7 Ag3 N10 99.75(13) . 1_554 ?
N16 Ag3 N14 93.38(13) . . ?
N7 Ag3 N14 101.35(12) . . ?
N10 Ag3 N14 81.07(11) 1_554 . ?
N12 Ag4 N15 176.33(14) . . ?
N4 Ag5 N17 153.18(14) . . ?
N4 Ag5 N13 109.72(13) . . ?
N17 Ag5 N13 95.29(13) . . ?
N3 Ag6 N18 132.98(14) 4_456 . ?
N3 Ag6 N20 116.40(15) 4_456 . ?
N18 Ag6 N20 110.31(15) . . ?
N9 Ag7 N6 135.01(15) . 3_545 ?
N9 Ag7 N19 116.06(15) . . ?
N6 Ag7 N19 108.43(15) 3_545 . ?
C1 N1 N2 105.2(4) . . ?
C1 N1 Ag1 132.1(3) . . ?
N2 N1 Ag1 121.7(3) . . ?
C5 N2 N1 107.9(4) . . ?
C5 N2 Ag2 139.1(3) . . ?
N1 N2 Ag2 112.1(3) . . ?
C5 N3 C1 102.5(4) . . ?
C5 N3 Ag6 128.2(3) . 4_556 ?
C1 N3 Ag6 128.6(3) . 4_556 ?
C9 N4 N5 105.6(4) . . ?
C9 N4 Ag5 136.2(3) . . ?
N5 N4 Ag5 113.6(3) . . ?
C13 N5 N4 107.3(4) . . ?
C13 N5 Ag2 135.1(3) . . ?
N4 N5 Ag2 117.2(3) . . ?
C9 N6 C13 102.4(4) . . ?
C9 N6 Ag7 129.6(3) . 3 ?
C13 N6 Ag7 126.2(3) . 3 ?
C17 N7 N8 106.5(4) . . ?
C17 N7 Ag3 139.0(3) . . ?
N8 N7 Ag3 113.8(3) . . ?
C21 N8 N7 106.6(4) . . ?
C21 N8 Ag1 130.4(3) . . ?
N7 N8 Ag1 116.5(3) . . ?
C21 N9 C17 104.3(4) . . ?
C21 N9 Ag7 130.8(3) . . ?
C17 N9 Ag7 124.8(3) . . ?
C25 N10 N11 105.5(3) . . ?
C25 N10 Ag3 111.0(3) . 1_556 ?
N11 N10 Ag3 104.3(2) . 1_556 ?
C29 N11 N10 106.0(3) . . ?
C29 N11 Ag1 128.4(3) . 1_556 ?
N10 N11 Ag1 115.9(2) . 1_556 ?
C29 N11 Ag2 122.6(3) . 1_556 ?
N10 N11 Ag2 94.5(2) . 1_556 ?
Ag1 N11 Ag2 83.74(11) 1_556 1_556 ?
C25 N12 C29 103.0(3) . . ?
C25 N12 Ag4 128.7(3) . . ?
C29 N12 Ag4 128.3(3) . . ?
C33 N13 N14 106.3(3) . . ?
C33 N13 Ag5 123.1(3) . . ?
N14 N13 Ag5 98.6(2) . . ?
C37 N14 N13 105.5(3) . . ?
C37 N14 Ag1 112.4(3) . . ?
N13 N14 Ag1 98.9(2) . . ?
C37 N14 Ag3 124.2(3) . . ?
N13 N14 Ag3 124.9(2) . . ?
Ag1 N14 Ag3 83.96(10) . . ?
C37 N15 C33 103.5(3) . . ?
C37 N15 Ag4 133.0(3) . . ?
C33 N15 Ag4 123.5(3) . . ?
C41 N16 N17 104.8(4) . . ?
C41 N16 Ag3 127.7(3) . . ?
N17 N16 Ag3 113.6(3) . . ?
C45 N17 N16 106.2(4) . . ?
C45 N17 Ag5 141.9(3) . . ?
N16 N17 Ag5 111.4(3) . . ?
C41 N18 C45 103.1(4) . . ?
C41 N18 Ag6 132.3(3) . . ?
C45 N18 Ag6 124.6(3) . . ?
C49 N19 C52 103.4(4) . . ?
C49 N19 Ag7 135.6(4) . . ?
C52 N19 Ag7 120.6(3) . . ?
C56 N20 C59 103.9(4) . . ?
C56 N20 Ag6 134.3(4) . . ?
C59 N20 Ag6 121.5(3) . . ?
N1 C1 N3 112.0(4) . . ?
N1 C1 C2 121.1(5) . . ?
N3 C1 C2 126.9(5) . . ?
C4 C2 C1 113.1(5) . . ?
C4 C2 C3 122.3(6) . . ?
C1 C2 C3 106.4(6) . . ?
N2 C5 N3 112.3(4) . . ?
N2 C5 C6 125.9(4) . . ?
N3 C5 C6 121.8(4) . . ?
C5 C6 C7 111.7(4) . . ?
C5 C6 C8 112.2(4) . . ?
C7 C6 C8 111.3(4) . . ?
N4 C9 N6 113.9(4) . . ?
N4 C9 C10 125.0(4) . . ?
N6 C9 C10 121.1(4) . . ?
C9 C10 C12 113.1(4) . . ?
C9 C10 C11 110.9(4) . . ?
C12 C10 C11 108.8(4) . . ?
N5 C13 N6 110.6(4) . . ?
N5 C13 C14 127.6(4) . . ?
N6 C13 C14 121.7(4) . . ?
C15 C14 C13 115.5(5) . . ?
C15 C14 C16 105.0(5) . . ?
C13 C14 C16 106.4(5) . . ?
N7 C17 N9 111.7(4) . . ?
N7 C17 C18 125.0(5) . . ?
N9 C17 C18 123.2(5) . . ?
C19 C18 C17 115.9(5) . . ?
C19 C18 C20 118.3(6) . . ?
C17 C18 C20 111.4(5) . . ?
N9 C21 N8 110.8(4) . . ?
N9 C21 C22 129.4(4) . . ?
N8 C21 C22 119.6(4) . . ?
C24 C22 C21 109.7(5) . . ?
C24 C22 C23 110.2(5) . . ?
C21 C22 C23 113.2(5) . . ?
N10 C25 N12 113.1(4) . . ?
N10 C25 C26 121.6(4) . . ?
N12 C25 C26 125.3(4) . . ?
C25 C26 C27 110.5(4) . . ?
C25 C26 C28 111.1(4) . . ?
C27 C26 C28 109.3(4) . . ?
N11 C29 N12 112.4(4) . . ?
N11 C29 C30 124.7(4) . . ?
N12 C29 C30 122.9(4) . . ?
C31 C30 C29 113.5(4) . . ?
C31 C30 C32 113.9(5) . . ?
C29 C30 C32 108.7(4) . . ?
N13 C33 N15 111.2(4) . . ?
N13 C33 C34 126.1(4) . . ?
N15 C33 C34 122.3(4) . . ?
C35 C34 C33 112.6(4) . . ?
C35 C34 C36 110.1(4) . . ?
C33 C34 C36 108.8(4) . . ?
N14 C37 N15 113.4(4) . . ?
N14 C37 C38 121.7(4) . . ?
N15 C37 C38 124.9(4) . . ?
C37 C38 C39 112.8(4) . . ?
C37 C38 C40 112.2(4) . . ?
C39 C38 C40 111.1(4) . . ?
N18 C41 N16 113.4(4) . . ?
N18 C41 C42 125.6(4) . . ?
N16 C41 C42 120.9(4) . . ?
C44 C42 C43 114.9(6) . . ?
C44 C42 C41 109.0(5) . . ?
C43 C42 C41 110.8(5) . . ?
N17 C45 N18 112.6(4) . . ?
N17 C45 C46 124.9(4) . . ?
N18 C45 C46 122.4(4) . . ?
C45 C46 C48 108.4(4) . . ?
C45 C46 C47 115.2(4) . . ?
C48 C46 C47 109.0(5) . . ?
N19 C49 N19 116.2(6) 2 . ?
N19 C49 C50 121.9(3) 2 . ?
N19 C49 C50 121.9(3) . . ?
C51 C50 C51 136.0(10) 2 . ?
C51 C50 C51' 39.0(7) 2 . ?
C51 C50 C51' 119.9(7) . . ?
C51 C50 C51' 119.9(7) 2 2 ?
C51 C50 C51' 39.0(7) . 2 ?
C51' C50 C51' 136.4(11) . 2 ?
C51 C50 C49 112.0(5) 2 . ?
C51 C50 C49 112.0(5) . . ?
C51' C50 C49 111.8(5) . . ?
C51' C50 C49 111.8(5) 2 . ?
N19 C52 C52 108.5(2) . 2 ?
N19 C52 C53 122.0(4) . . ?
C52 C52 C53 129.4(3) 2 . ?
C54 C53 C52 146.5(6) . . ?
C54 C53 C55 105.0(7) . . ?
C52 C53 C55 104.9(7) . . ?
N20 C56 N20 113.8(6) 2_565 . ?
N20 C56 C57 123.1(3) 2_565 . ?
N20 C56 C57 123.1(3) . . ?
C56 C57 C58 116.3(4) . . ?
C56 C57 C58 116.3(4) . 2_565 ?
C58 C57 C58 127.5(8) . 2_565 ?
C59 C59 N20 109.2(2) 2_565 . ?
C59 C59 C60 131.9(3) 2_565 . ?
N20 C59 C60 118.9(4) . . ?
C62 C60 C61 114.5(6) . . ?
C62 C60 C59 105.5(6) . . ?
C61 C60 C59 113.9(7) . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.521
_refine_diff_density_min         -0.454
_refine_diff_density_rms         0.148
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_4c
_database_code_depnum_ccdc_archive 'CCDC 1041678'
_audit_update_record             
;
2014-12-31 deposited with the CCDC.
2015-03-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C14 H20 Ag N3 O0'
_chemical_formula_weight         338.20

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           cubic
_symmetry_space_group_name_H-M   Im-3

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

_cell_length_a                   16.332(2)
_cell_length_b                   16.332
_cell_length_c                   16.332
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     4356.3(6)
_cell_formula_units_Z            12
_cell_measurement_temperature    113(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.547
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2064
_exptl_absorpt_coefficient_mu    1.375
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8747
_exptl_absorpt_correction_T_max  0.8747
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      113(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            4958
_diffrn_reflns_av_R_equivalents  0.0301
_diffrn_reflns_av_sigmaI/netI    0.0195
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.49
_diffrn_reflns_theta_max         25.93
_reflns_number_total             798
_reflns_number_gt                674
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 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)+(0.0735P)²+16.3514P] 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_number_reflns         798
_refine_ls_number_parameters     57
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0521
_refine_ls_R_factor_gt           0.0391
_refine_ls_wR_factor_ref         0.1195
_refine_ls_wR_factor_gt          0.1002
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_restrained_S_all      1.095
_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 0.0000 0.61770(3) 0.5000 0.0255(3) Uani 1 4 d S . .
N1 N 0.0000 0.5427(3) 0.6156(3) 0.0253(10) Uani 1 2 d S . .
N2 N 0.0000 0.5000 0.7453(4) 0.0241(13) Uani 1 4 d S . .
C1 C 0.0000 0.5652(3) 0.6941(3) 0.0235(11) Uani 1 2 d S . .
C2 C 0.0000 0.6526(3) 0.7212(3) 0.0270(12) Uani 1 2 d S . .
H2A H 0.0000 0.6876 0.6710 0.032 Uiso 1 2 calc SR . .
C3 C -0.0777(3) 0.6729(3) 0.7701(3) 0.0346(9) Uani 1 1 d . . .
H3A H -0.0769 0.7309 0.7858 0.052 Uiso 1 1 calc R . .
H3B H -0.0798 0.6389 0.8195 0.052 Uiso 1 1 calc R . .
H3C H -0.1261 0.6621 0.7363 0.052 Uiso 1 1 calc R . .
C4 C 0.0000 0.6781(8) 1.0000 0.063(3) Uani 1 4 d S . .
H4A H 0.0000 0.6200 1.0000 0.076 Uiso 1 4 calc SR . .
C5 C -0.0755(6) 0.7190(6) 1.0000 0.066(2) Uani 1 2 d S . .
H5A H -0.1257 0.6896 1.0000 0.079 Uiso 1 2 calc SR . .
C6 C -0.0742(8) 0.8010(7) 1.0000 0.120(5) Uani 1 2 d S . .
H6A H -0.1238 0.8313 1.0000 0.143 Uiso 1 2 calc SR . .
C7 C 0.0000 0.8406(11) 1.0000 0.156(11) Uani 1 4 d S . .
H7A H 0.0000 0.8988 1.0000 0.187 Uiso 1 4 calc SR . .


_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 N2 2.238(6) 45_565 ?
Ag1 N1 2.251(4) 26_556 ?
Ag1 N1 2.251(4) . ?
N1 C1 1.333(7) . ?
N1 N1 1.396(9) 2_565 ?
N2 C1 1.353(6) 2_565 ?
N2 C1 1.353(6) . ?
N2 Ag1 2.238(6) 41_556 ?
C1 C2 1.494(7) . ?
C2 C3 1.536(5) 28 ?
C2 C3 1.536(5) . ?
C4 C5 1.401(11) . ?
C4 C5 1.401(11) 3_557 ?
C5 C6 1.340(15) . ?
C6 C7 1.374(14) . ?
C7 C6 1.374(14) 3_557 ?

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
N2 Ag1 N1 122.96(11) 45_565 26_556 ?
N2 Ag1 N1 122.96(11) 45_565 . ?
N1 Ag1 N1 114.1(2) 26_556 . ?
C1 N1 N1 106.0(3) . 2_565 ?
C1 N1 Ag1 131.1(3) . . ?
N1 N1 Ag1 122.96(11) 2_565 . ?
C1 N2 C1 103.7(6) 2_565 . ?
C1 N2 Ag1 128.1(3) 2_565 41_556 ?
C1 N2 Ag1 128.1(3) . 41_556 ?
N1 C1 N2 112.2(4) . . ?
N1 C1 C2 123.2(5) . . ?
N2 C1 C2 124.6(5) . . ?
C1 C2 C3 111.2(3) . 28 ?
C1 C2 C3 111.2(3) . . ?
C3 C2 C3 111.4(5) 28 . ?
C5 C4 C5 123.2(13) . 3_557 ?
C6 C5 C4 117.5(11) . . ?
C5 C6 C7 119.0(13) . . ?
C6 C7 C6 123.7(17) . 3_557 ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.93
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         2.383
_refine_diff_density_min         -0.487
_refine_diff_density_rms         0.123
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_4d
_database_code_depnum_ccdc_archive 'CCDC 1041679'
_audit_update_record             
;
2014-12-31 deposited with the CCDC.
2015-03-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C71 H122 Ag8 N24 O'
_chemical_formula_weight         2190.89

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   P21/n

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

_cell_length_a                   21.8059(6)
_cell_length_b                   20.5551(5)
_cell_length_c                   22.2812(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.8920(10)
_cell_angle_gamma                90.00
_cell_volume                     8984.4(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    113(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.620
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4400
_exptl_absorpt_coefficient_mu    1.758
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8438
_exptl_absorpt_correction_T_max  0.8438
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      113(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            47314
_diffrn_reflns_av_R_equivalents  0.0737
_diffrn_reflns_av_sigmaI/netI    0.0863
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         2.99
_diffrn_reflns_theta_max         27.48
_reflns_number_total             20015
_reflns_number_gt                11284
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 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)+(0.1331P)²+0.0000P] 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     SHELXL
_refine_ls_extinction_coef       0.00114(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         20015
_refine_ls_number_parameters     917
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1281
_refine_ls_R_factor_gt           0.0648
_refine_ls_wR_factor_ref         0.2426
_refine_ls_wR_factor_gt          0.1768
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_restrained_S_all      1.073
_refine_ls_shift/su_max          0.002
_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 0.058208(18) 0.809852(19) 0.192221(16) 0.05154(10) Uani 1 1 d . . .
Ag2 Ag 0.080253(19) 0.64071(2) 0.210900(16) 0.05981(11) Uani 1 1 d . . .
Ag3 Ag -0.022887(17) 0.81174(2) 0.298946(17) 0.05365(11) Uani 1 1 d . . .
Ag4 Ag -0.043874(18) 0.64835(2) 0.262159(18) 0.05706(11) Uani 1 1 d . . .
Ag5 Ag 0.26125(2) 0.73308(2) 0.490532(19) 0.06816(14) Uani 1 1 d . . .
Ag6 Ag 0.080269(18) 0.35388(2) 0.345046(16) 0.05581(11) Uani 1 1 d . . .
Ag7 Ag 0.280701(17) 0.26672(2) 0.648876(16) 0.05714(11) Uani 1 1 d . . .
Ag8 Ag 0.363047(17) 0.21322(2) 0.542736(15) 0.05232(10) Uani 1 1 d . . .
N1 N 0.07871(18) 0.7529(2) 0.11953(16) 0.0489(10) Uani 1 1 d . . .
N2 N 0.09873(17) 0.68759(18) 0.13501(15) 0.0444(10) Uani 1 1 d . . .
N3 N 0.10501(18) 0.7147(2) 0.04094(15) 0.0487(11) Uani 1 1 d . . .
N4 N 0.05315(18) 0.90050(19) 0.24180(17) 0.0490(10) Uani 1 1 d . . .
N5 N 0.02459(18) 0.9007(2) 0.28582(17) 0.0521(11) Uani 1 1 d . . .
N6 N 0.0407(2) 1.0026(2) 0.2659(2) 0.0668(14) Uani 1 1 d . . .
N7 N 0.10537(17) 0.73444(19) 0.29297(16) 0.0446(10) Uani 1 1 d . . .
N8 N 0.06548(17) 0.71964(19) 0.32664(16) 0.0456(10) Uani 1 1 d . . .
N9 N 0.17379(19) 0.7244(2) 0.40120(17) 0.0536(12) Uani 1 1 d . . .
N10 N 0.4363(2) 0.7286(2) 0.67736(19) 0.0579(13) Uani 1 1 d . . .
N11 N 0.4405(2) 0.7912(2) 0.66005(18) 0.0543(12) Uani 1 1 d . . .
N12 N 0.3505(2) 0.7443(2) 0.57897(18) 0.0618(14) Uani 1 1 d . . .
N13 N 0.07419(16) 0.56246(19) 0.27276(16) 0.0468(10) Uani 1 1 d . . .
N14 N 0.01096(17) 0.5551(2) 0.27386(16) 0.0478(10) Uani 1 1 d . . .
N15 N 0.07318(17) 0.4665(2) 0.31922(16) 0.0479(10) Uani 1 1 d . . .
N16 N 0.23871(19) 0.2975(2) 0.53843(17) 0.0576(12) Uani 1 1 d . . .
N17 N 0.25355(19) 0.2538(2) 0.49944(17) 0.0551(12) Uani 1 1 d . . .
N18 N 0.16355(19) 0.31170(19) 0.43468(16) 0.0473(11) Uani 1 1 d . . .
N19 N 0.11730(17) 0.2996(2) 0.71152(18) 0.0544(11) Uani 1 1 d . . .
N20 N 0.09697(18) 0.2406(2) 0.67832(19) 0.0551(11) Uani 1 1 d . . .
N21 N 0.19680(17) 0.2680(2) 0.68115(17) 0.0506(11) Uani 1 1 d . . .
N22 N 0.38247(17) 0.2224(2) 0.68978(15) 0.0499(11) Uani 1 1 d . . .
N23 N 0.41200(17) 0.1969(2) 0.65167(15) 0.0496(11) Uani 1 1 d . . .
N24 N 0.48479(17) 0.1845(2) 0.75795(15) 0.0486(11) Uani 1 1 d . . .
C1 C 0.0834(2) 0.7663(2) 0.0641(2) 0.0486(13) Uani 1 1 d . . .
C2 C 0.0636(3) 0.8324(3) 0.0308(3) 0.0803(19) Uani 1 1 d . . .
H2 H 0.0635 0.8571 0.0694 0.096 Uiso 1 1 calc R . .
C3 C -0.0011(5) 0.8382(5) -0.0099(7) 0.252(7) Uani 1 1 d . . .
H3A H -0.0178 0.8804 -0.0026 0.378 Uiso 1 1 calc R . .
H3B H -0.0267 0.8032 -0.0014 0.378 Uiso 1 1 calc R . .
H3C H -0.0073 0.8355 -0.0561 0.378 Uiso 1 1 calc R . .
C4 C 0.1201(5) 0.8652(4) 0.0266(6) 0.201(5) Uani 1 1 d . . .
H4A H 0.1600 0.8633 0.0700 0.302 Uiso 1 1 calc R . .
H4B H 0.1079 0.9108 0.0140 0.302 Uiso 1 1 calc R . .
H4C H 0.1306 0.8439 -0.0071 0.302 Uiso 1 1 calc R . .
C5 C 0.1126(2) 0.6668(2) 0.08451(18) 0.0413(11) Uani 1 1 d . . .
C6 C 0.1345(2) 0.5990(3) 0.0803(2) 0.0569(14) Uani 1 1 d . . .
H6 H 0.1519 0.5983 0.0456 0.068 Uiso 1 1 calc R . .
C7 C 0.1933(3) 0.5771(4) 0.1468(3) 0.089(2) Uani 1 1 d . . .
H7A H 0.2319 0.6070 0.1587 0.134 Uiso 1 1 calc R . .
H7B H 0.2076 0.5330 0.1419 0.134 Uiso 1 1 calc R . .
H7C H 0.1779 0.5776 0.1820 0.134 Uiso 1 1 calc R . .
C8 C 0.0758(3) 0.5519(3) 0.0587(3) 0.089(2) Uani 1 1 d . . .
H8A H 0.0627 0.5456 0.0951 0.134 Uiso 1 1 calc R . .
H8B H 0.0895 0.5101 0.0472 0.134 Uiso 1 1 calc R . .
H8C H 0.0369 0.5694 0.0196 0.134 Uiso 1 1 calc R . .
C9 C 0.0621(3) 0.9606(3) 0.2301(2) 0.0597(14) Uani 1 1 d . . .
C10 C 0.0888(3) 0.9825(3) 0.1821(2) 0.0678(16) Uani 1 1 d . . .
H10 H 0.1148 0.9450 0.1759 0.081 Uiso 1 1 calc R . .
C11 C 0.1402(4) 1.0383(4) 0.2130(4) 0.152(3) Uani 1 1 d . . .
H11A H 0.1192 1.0727 0.2283 0.229 Uiso 1 1 calc R . .
H11B H 0.1533 1.0560 0.1794 0.229 Uiso 1 1 calc R . .
H11C H 0.1808 1.0217 0.2509 0.229 Uiso 1 1 calc R . .
C12 C 0.0325(4) 0.9967(4) 0.1158(3) 0.114(3) Uani 1 1 d . . .
H12A H 0.0025 0.9588 0.1000 0.171 Uiso 1 1 calc R . .
H12B H 0.0513 1.0068 0.0842 0.171 Uiso 1 1 calc R . .
H12C H 0.0063 1.0341 0.1193 0.171 Uiso 1 1 calc R . .
C13 C 0.0164(3) 0.9627(3) 0.2962(2) 0.0620(15) Uani 1 1 d . . .
C14 C -0.0142(3) 0.9824(4) 0.3443(3) 0.109(2) Uani 1 1 d . . .
H14 H -0.0128 0.9426 0.3707 0.130 Uiso 1 1 calc R . .
C15 C -0.0884(4) 0.9993(6) 0.3047(4) 0.146(4) Uani 1 1 d . . .
H15A H -0.0923 1.0422 0.2842 0.219 Uiso 1 1 calc R . .
H15B H -0.1108 1.0000 0.3344 0.219 Uiso 1 1 calc R . .
H15C H -0.1102 0.9666 0.2698 0.219 Uiso 1 1 calc R . .
C16 C 0.0255(4) 1.0321(4) 0.3929(4) 0.127(3) Uani 1 1 d . . .
H16A H 0.0625 1.0112 0.4311 0.191 Uiso 1 1 calc R . .
H16B H -0.0041 1.0557 0.4080 0.191 Uiso 1 1 calc R . .
H16C H 0.0448 1.0626 0.3719 0.191 Uiso 1 1 calc R . .
C17 C 0.1681(2) 0.7381(3) 0.3380(2) 0.0529(14) Uani 1 1 d . . .
C18 C 0.2256(2) 0.7539(4) 0.3206(3) 0.0792(19) Uani 1 1 d . . .
H18 H 0.2041 0.7456 0.2714 0.095 Uiso 1 1 calc R . .
C19 C 0.2433(4) 0.8185(4) 0.3233(5) 0.165(3) Uani 1 1 d . . .
H19A H 0.2043 0.8434 0.2915 0.247 Uiso 1 1 calc R . .
H19B H 0.2817 0.8230 0.3120 0.247 Uiso 1 1 calc R . .
H19C H 0.2564 0.8352 0.3685 0.247 Uiso 1 1 calc R . .
C20 C 0.2820(3) 0.7032(4) 0.3455(3) 0.095(2) Uani 1 1 d . . .
H20A H 0.3057 0.7047 0.3944 0.142 Uiso 1 1 calc R . .
H20B H 0.3145 0.7123 0.3271 0.142 Uiso 1 1 calc R . .
H20C H 0.2623 0.6599 0.3313 0.142 Uiso 1 1 calc R . .
C21 C 0.1092(2) 0.7136(2) 0.3900(2) 0.0491(13) Uani 1 1 d . . .
C22 C 0.0840(3) 0.6958(4) 0.4417(3) 0.091(2) Uani 1 1 d . . .
H22 H 0.0340 0.6894 0.4139 0.110 Uiso 1 1 calc R . .
C23 C 0.0862(5) 0.7497(5) 0.4856(3) 0.135(3) Uani 1 1 d . . .
H23A H 0.1336 0.7580 0.5175 0.202 Uiso 1 1 calc R . .
H23B H 0.0595 0.7384 0.5098 0.202 Uiso 1 1 calc R . .
H23C H 0.0670 0.7888 0.4587 0.202 Uiso 1 1 calc R . .
C24 C 0.1068(4) 0.6308(4) 0.4696(3) 0.116(3) Uani 1 1 d . . .
H24A H 0.1031 0.6010 0.4339 0.173 Uiso 1 1 calc R . .
H24B H 0.0781 0.6150 0.4903 0.173 Uiso 1 1 calc R . .
H24C H 0.1543 0.6329 0.5033 0.173 Uiso 1 1 calc R . .
C25 C 0.3822(2) 0.7015(3) 0.6290(2) 0.0603(16) Uani 1 1 d . . .
C26 C 0.3592(3) 0.6337(3) 0.6326(3) 0.086(2) Uani 1 1 d . . .
H26 H 0.3972 0.6115 0.6706 0.103 Uiso 1 1 calc R . .
C27 C 0.3449(5) 0.5951(4) 0.5712(4) 0.127(4) Uani 1 1 d . . .
H27A H 0.3098 0.6171 0.5324 0.190 Uiso 1 1 calc R . .
H27B H 0.3290 0.5516 0.5756 0.190 Uiso 1 1 calc R . .
H27C H 0.3867 0.5913 0.5652 0.190 Uiso 1 1 calc R . .
C28 C 0.2974(4) 0.6338(5) 0.6478(4) 0.136(4) Uani 1 1 d . . .
H28A H 0.3044 0.6658 0.6829 0.204 Uiso 1 1 calc R . .
H28B H 0.2917 0.5905 0.6630 0.204 Uiso 1 1 calc R . .
H28C H 0.2565 0.6453 0.6074 0.204 Uiso 1 1 calc R . .
C29 C 0.3874(2) 0.8003(3) 0.5982(2) 0.0585(16) Uani 1 1 d . . .
C30 C 0.3762(3) 0.8580(3) 0.5555(2) 0.0661(18) Uani 1 1 d . . .
H30 H 0.3258 0.8632 0.5293 0.079 Uiso 1 1 calc R . .
C31 C 0.4055(4) 0.8474(3) 0.5055(3) 0.097(2) Uani 1 1 d . . .
H31A H 0.4551 0.8432 0.5293 0.145 Uiso 1 1 calc R . .
H31B H 0.3939 0.8845 0.4749 0.145 Uiso 1 1 calc R . .
H31C H 0.3862 0.8075 0.4801 0.145 Uiso 1 1 calc R . .
C32 C 0.4028(4) 0.9201(4) 0.5944(3) 0.114(3) Uani 1 1 d . . .
H32A H 0.3739 0.9325 0.6160 0.171 Uiso 1 1 calc R . .
H32B H 0.4021 0.9549 0.5639 0.171 Uiso 1 1 calc R . .
H32C H 0.4496 0.9134 0.6284 0.171 Uiso 1 1 calc R . .
C33 C 0.1094(2) 0.5101(2) 0.30021(19) 0.0394(11) Uani 1 1 d . . .
C34 C 0.1810(2) 0.5016(3) 0.3090(3) 0.0610(15) Uani 1 1 d . . .
H34 H 0.1919 0.5407 0.2888 0.073 Uiso 1 1 calc R . .
C35 C 0.1909(3) 0.4436(3) 0.2738(4) 0.107(3) Uani 1 1 d . . .
H35A H 0.2041 0.4061 0.3040 0.161 Uiso 1 1 calc R . .
H35B H 0.2268 0.4527 0.2597 0.161 Uiso 1 1 calc R . .
H35C H 0.1482 0.4338 0.2345 0.161 Uiso 1 1 calc R . .
C36 C 0.2286(3) 0.5034(6) 0.3831(3) 0.135(4) Uani 1 1 d . . .
H36A H 0.2141 0.5378 0.4045 0.203 Uiso 1 1 calc R . .
H36B H 0.2752 0.5121 0.3894 0.203 Uiso 1 1 calc R . .
H36C H 0.2272 0.4613 0.4032 0.203 Uiso 1 1 calc R . .
C37 C 0.01365(19) 0.4993(3) 0.30278(19) 0.0488(13) Uani 1 1 d . . .
C38 C -0.0445(2) 0.4708(3) 0.3137(2) 0.0543(13) Uani 1 1 d . . .
H38 H -0.0324 0.4249 0.3294 0.065 Uiso 1 1 calc R . .
C39 C -0.0531(2) 0.5095(3) 0.3694(2) 0.0792(19) Uani 1 1 d . . .
H39A H -0.0081 0.5176 0.4063 0.119 Uiso 1 1 calc R . .
H39B H -0.0809 0.4842 0.3857 0.119 Uiso 1 1 calc R . .
H39C H -0.0756 0.5511 0.3514 0.119 Uiso 1 1 calc R . .
C40 C -0.1109(3) 0.4694(3) 0.2492(3) 0.0741(19) Uani 1 1 d . . .
H40A H -0.1180 0.5119 0.2271 0.111 Uiso 1 1 calc R . .
H40B H -0.1491 0.4599 0.2598 0.111 Uiso 1 1 calc R . .
H40C H -0.1080 0.4357 0.2195 0.111 Uiso 1 1 calc R . .
C41 C 0.1848(2) 0.3294(3) 0.4987(2) 0.0523(14) Uani 1 1 d . . .
C42 C 0.1499(3) 0.3793(3) 0.5250(3) 0.0726(18) Uani 1 1 d . . .
H42 H 0.1712 0.3734 0.5745 0.087 Uiso 1 1 calc R . .
C43 C 0.1654(4) 0.4465(3) 0.5138(3) 0.118(3) Uani 1 1 d . . .
H43A H 0.2144 0.4545 0.5390 0.176 Uiso 1 1 calc R . .
H43B H 0.1401 0.4767 0.5287 0.176 Uiso 1 1 calc R . .
H43C H 0.1520 0.4532 0.4661 0.176 Uiso 1 1 calc R . .
C44 C 0.0763(3) 0.3668(4) 0.5022(3) 0.105(3) Uani 1 1 d . . .
H44A H 0.0499 0.3955 0.4646 0.158 Uiso 1 1 calc R . .
H44B H 0.0640 0.3754 0.5389 0.158 Uiso 1 1 calc R . .
H44C H 0.0662 0.3213 0.4881 0.158 Uiso 1 1 calc R . .
C45 C 0.2072(2) 0.2638(2) 0.4375(2) 0.0427(12) Uani 1 1 d . . .
C46 C 0.2035(3) 0.2227(3) 0.3808(2) 0.0612(16) Uani 1 1 d . . .
H46 H 0.2423 0.1913 0.3996 0.073 Uiso 1 1 calc R . .
C47 C 0.2140(4) 0.2627(4) 0.3283(3) 0.103(3) Uani 1 1 d . . .
H47A H 0.1832 0.3002 0.3155 0.155 Uiso 1 1 calc R . .
H47B H 0.2044 0.2357 0.2889 0.155 Uiso 1 1 calc R . .
H47C H 0.2613 0.2780 0.3467 0.155 Uiso 1 1 calc R . .
C48 C 0.1395(4) 0.1831(3) 0.3517(4) 0.115(3) Uani 1 1 d . . .
H48A H 0.1389 0.1531 0.3857 0.173 Uiso 1 1 calc R . .
H48B H 0.1377 0.1582 0.3135 0.173 Uiso 1 1 calc R . .
H48C H 0.0998 0.2120 0.3370 0.173 Uiso 1 1 calc R . .
C49 C 0.1760(2) 0.3123(2) 0.7120(2) 0.0494(13) Uani 1 1 d . . .
C50 C 0.2172(3) 0.3704(3) 0.7517(3) 0.0735(18) Uani 1 1 d . . .
H50 H 0.1834 0.4004 0.7564 0.088 Uiso 1 1 calc R . .
C51 C 0.2643(4) 0.3504(5) 0.8209(4) 0.136(4) Uani 1 1 d . . .
H51A H 0.2398 0.3506 0.8487 0.204 Uiso 1 1 calc R . .
H51B H 0.3026 0.3810 0.8393 0.204 Uiso 1 1 calc R . .
H51C H 0.2816 0.3066 0.8201 0.204 Uiso 1 1 calc R . .
C52 C 0.2505(4) 0.4097(4) 0.7156(4) 0.119(3) Uani 1 1 d . . .
H52A H 0.2431 0.3876 0.6740 0.178 Uiso 1 1 calc R . .
H52B H 0.2995 0.4134 0.7442 0.178 Uiso 1 1 calc R . .
H52C H 0.2302 0.4532 0.7054 0.178 Uiso 1 1 calc R . .
C53 C 0.1456(2) 0.2231(3) 0.6612(2) 0.0586(15) Uani 1 1 d . . .
C54 C 0.1418(3) 0.1625(3) 0.6241(3) 0.0727(17) Uani 1 1 d . . .
H54 H 0.1035 0.1374 0.6261 0.087 Uiso 1 1 calc R . .
C55 C 0.2050(4) 0.1194(4) 0.6603(4) 0.141(3) Uani 1 1 d . . .
H55A H 0.2461 0.1440 0.6673 0.212 Uiso 1 1 calc R . .
H55B H 0.2016 0.0808 0.6331 0.212 Uiso 1 1 calc R . .
H55C H 0.2076 0.1058 0.7035 0.212 Uiso 1 1 calc R . .
C56 C 0.1223(4) 0.1701(4) 0.5518(3) 0.117(3) Uani 1 1 d . . .
H56A H 0.0801 0.1955 0.5311 0.175 Uiso 1 1 calc R . .
H56B H 0.1150 0.1270 0.5308 0.175 Uiso 1 1 calc R . .
H56C H 0.1588 0.1926 0.5458 0.175 Uiso 1 1 calc R . .
C57 C 0.4276(2) 0.2143(3) 0.75282(19) 0.0489(13) Uani 1 1 d . . .
C58 C 0.4157(3) 0.2392(3) 0.8112(2) 0.0757(19) Uani 1 1 d . . .
H58 H 0.3780 0.2712 0.7886 0.091 Uiso 1 1 calc R . .
C59 C 0.3818(3) 0.1902(4) 0.8352(3) 0.111(2) Uani 1 1 d . . .
H59A H 0.3430 0.1714 0.7970 0.166 Uiso 1 1 calc R . .
H59B H 0.3657 0.2110 0.8653 0.166 Uiso 1 1 calc R . .
H59C H 0.4143 0.1556 0.8592 0.166 Uiso 1 1 calc R . .
C60 C 0.4681(4) 0.2799(3) 0.8574(3) 0.121(2) Uani 1 1 d . . .
H60A H 0.4985 0.2539 0.8958 0.182 Uiso 1 1 calc R . .
H60B H 0.4474 0.3146 0.8727 0.182 Uiso 1 1 calc R . .
H60C H 0.4942 0.2992 0.8356 0.182 Uiso 1 1 calc R . .
C61 C 0.47154(19) 0.1738(2) 0.69321(18) 0.0404(11) Uani 1 1 d . . .
C62 C 0.5214(2) 0.1404(3) 0.6732(2) 0.0700(18) Uani 1 1 d . . .
H62 H 0.5605 0.1262 0.7156 0.084 Uiso 1 1 calc R . .
C63 C 0.4919(4) 0.0804(4) 0.6343(3) 0.123(3) Uani 1 1 d . . .
H63A H 0.4711 0.0542 0.6573 0.184 Uiso 1 1 calc R . .
H63B H 0.5280 0.0552 0.6301 0.184 Uiso 1 1 calc R . .
H63C H 0.4570 0.0921 0.5898 0.184 Uiso 1 1 calc R . .
C64 C 0.5501(3) 0.1875(4) 0.6405(3) 0.094(2) Uani 1 1 d . . .
H64A H 0.5157 0.1966 0.5950 0.141 Uiso 1 1 calc R . .
H64B H 0.5906 0.1685 0.6389 0.141 Uiso 1 1 calc R . .
H64C H 0.5627 0.2280 0.6661 0.141 Uiso 1 1 calc R . .
C65 C 0.2752(2) 0.5202(3) 0.0463(3) 0.152(4) Uiso 1 1 d G A -1
H65 H 0.2631 0.5557 0.0663 0.183 Uiso 1 1 calc R A -1
C66 C 0.3061(2) 0.4654(3) 0.0840(3) 0.192(5) Uiso 1 1 d G A -1
H66 H 0.3151 0.4635 0.1297 0.230 Uiso 1 1 calc R A -1
C67 C 0.3237(3) 0.4134(3) 0.0547(3) 0.158(4) Uiso 1 1 d G A -1
H67 H 0.3448 0.3760 0.0805 0.189 Uiso 1 1 calc R A -1
C68 C 0.3105(3) 0.4162(3) -0.0122(3) 0.225(7) Uiso 1 1 d G A -1
H68 H 0.3225 0.3807 -0.0321 0.270 Uiso 1 1 calc R A -1
C69 C 0.2796(3) 0.4710(3) -0.0498(3) 0.225(7) Uiso 1 1 d G A -1
H69 H 0.2706 0.4730 -0.0955 0.270 Uiso 1 1 calc R A -1
C70 C 0.2620(3) 0.5230(3) -0.0206(3) 0.206(6) Uiso 1 1 d G A -1
H70 H 0.2409 0.5605 -0.0463 0.247 Uiso 1 1 calc R A -1
C71 C -0.0926(9) 1.1057(6) 0.1600(11) 0.291(10) Uiso 1 1 d R . .
H71A H -0.1154 1.1404 0.1278 0.436 Uiso 1 1 calc R . .
H71B H -0.1187 1.0961 0.1854 0.436 Uiso 1 1 calc R . .
H71C H -0.0899 1.0665 0.1362 0.436 Uiso 1 1 calc R . .
O1 O -0.0188(5) 1.1282(5) 0.2091(5) 0.231(4) Uiso 1 1 d . . .
H1 H -0.0120 1.1206 0.2486 0.277 Uiso 1 1 calc 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 2.193(4) . ?
Ag1 N1 2.197(4) . ?
Ag1 N7 2.546(3) . ?
Ag2 N2 2.132(4) . ?
Ag2 N13 2.160(4) . ?
Ag2 N7 2.546(4) . ?
Ag2 Ag4 3.3697(6) . ?
Ag3 N20 2.177(4) 3_566 ?
Ag3 N5 2.183(4) . ?
Ag3 N8 2.577(4) . ?
Ag3 N10 2.591(4) 4_575 ?
Ag4 N19 2.207(4) 3_566 ?
Ag4 N14 2.214(4) . ?
Ag4 N11 2.482(4) 4_575 ?
Ag4 N8 2.628(3) . ?
Ag5 N9 2.077(3) . ?
Ag5 N12 2.091(3) . ?
Ag6 N18 2.207(3) . ?
Ag6 N24 2.279(3) 4_565 ?
Ag6 N15 2.374(4) . ?
Ag7 N22 2.196(3) . ?
Ag7 N21 2.239(4) . ?
Ag7 N16 2.308(4) . ?
Ag8 N23 2.209(3) . ?
Ag8 N3 2.257(4) 2_545 ?
Ag8 N17 2.306(4) . ?
N1 C1 1.313(6) . ?
N1 N2 1.407(5) . ?
N2 C5 1.355(6) . ?
N3 C5 1.341(6) . ?
N3 C1 1.350(6) . ?
N3 Ag8 2.257(4) 2 ?
N4 C9 1.296(6) . ?
N4 N5 1.372(6) . ?
N5 C13 1.321(7) . ?
N6 C13 1.313(7) . ?
N6 C9 1.386(7) . ?
N7 C17 1.298(5) . ?
N7 N8 1.408(6) . ?
N8 C21 1.319(5) . ?
N9 C21 1.337(6) . ?
N9 C17 1.387(6) . ?
N10 C25 1.323(6) . ?
N10 N11 1.359(6) . ?
N10 Ag3 2.591(4) 4_676 ?
N11 C29 1.372(5) . ?
N11 Ag4 2.482(4) 4_676 ?
N12 C25 1.350(7) . ?
N12 C29 1.363(7) . ?
N13 C33 1.308(5) . ?
N13 N14 1.398(5) . ?
N14 C37 1.304(6) . ?
N15 C37 1.363(6) . ?
N15 C33 1.377(6) . ?
N16 C41 1.298(6) . ?
N16 N17 1.383(6) . ?
N17 C45 1.323(5) . ?
N18 C41 1.344(6) . ?
N18 C45 1.352(6) . ?
N19 C49 1.301(6) . ?
N19 N20 1.389(6) . ?
N19 Ag4 2.207(4) 3_566 ?
N20 C53 1.324(7) . ?
N20 Ag3 2.177(4) 3_566 ?
N21 C49 1.335(6) . ?
N21 C53 1.364(6) . ?
N22 C57 1.327(5) . ?
N22 N23 1.374(5) . ?
N23 C61 1.310(5) . ?
N24 C57 1.349(6) . ?
N24 C61 1.360(5) . ?
N24 Ag6 2.279(3) 4_666 ?
C1 C2 1.518(8) . ?
C2 C3 1.308(11) . ?
C2 C4 1.441(12) . ?
C2 H2 1.0000 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.491(7) . ?
C6 C8 1.506(8) . ?
C6 C7 1.544(7) . ?
C6 H6 1.0000 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.493(8) . ?
C10 C12 1.480(8) . ?
C10 C11 1.541(9) . ?
C10 H10 1.0000 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.545(9) . ?
C14 C16 1.465(10) . ?
C14 C15 1.506(9) . ?
C14 H14 1.0000 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.502(8) . ?
C18 C19 1.377(10) . ?
C18 C20 1.520(9) . ?
C18 H18 1.0000 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.523(8) . ?
C22 C23 1.465(11) . ?
C22 C24 1.466(10) . ?
C22 H22 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.495(9) . ?
C26 C27 1.492(11) . ?
C26 C28 1.526(12) . ?
C26 H26 1.0000 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.473(8) . ?
C30 C32 1.509(10) . ?
C30 C31 1.522(10) . ?
C30 H30 1.0000 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.497(7) . ?
C34 C35 1.496(9) . ?
C34 C36 1.518(8) . ?
C34 H34 1.0000 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.511(7) . ?
C38 C40 1.531(6) . ?
C38 C39 1.553(8) . ?
C38 H38 1.0000 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C42 1.537(8) . ?
C42 C43 1.470(9) . ?
C42 C44 1.479(8) . ?
C42 H42 1.0000 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C46 1.494(7) . ?
C46 C48 1.499(9) . ?
C46 C47 1.526(9) . ?
C46 H46 1.0000 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C50 1.524(8) . ?
C50 C51 1.488(9) . ?
C50 C52 1.529(11) . ?
C50 H50 1.0000 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 C54 1.478(8) . ?
C54 C56 1.483(9) . ?
C54 C55 1.538(9) . ?
C54 H54 1.0000 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 C58 1.521(7) . ?
C58 C60 1.428(9) . ?
C58 C59 1.481(10) . ?
C58 H58 1.0000 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 C62 1.508(7) . ?
C62 C63 1.484(9) . ?
C62 C64 1.503(9) . ?
C62 H62 1.0000 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 C66 1.3900 . ?
C65 C70 1.3900 . ?
C65 H65 0.9500 . ?
C66 C67 1.3900 . ?
C66 H66 0.9500 . ?
C67 C68 1.3900 . ?
C67 H67 0.9500 . ?
C68 C69 1.3900 . ?
C68 H68 0.9500 . ?
C69 C70 1.3900 . ?
C69 H69 0.9500 . ?
C70 H70 0.9500 . ?
C71 O1 1.57(2) . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
O1 H1 0.8400 . ?

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 153.53(15) . . ?
N4 Ag1 N7 99.37(13) . . ?
N1 Ag1 N7 101.06(13) . . ?
N2 Ag2 N13 158.17(15) . . ?
N2 Ag2 N7 99.89(13) . . ?
N13 Ag2 N7 99.16(13) . . ?
N2 Ag2 Ag4 134.89(10) . . ?
N13 Ag2 Ag4 62.37(10) . . ?
N7 Ag2 Ag4 70.97(9) . . ?
N20 Ag3 N5 152.72(16) 3_566 . ?
N20 Ag3 N8 97.72(14) 3_566 . ?
N5 Ag3 N8 107.38(14) . . ?
N20 Ag3 N10 97.69(15) 3_566 4_575 ?
N5 Ag3 N10 95.42(14) . 4_575 ?
N8 Ag3 N10 83.98(12) . 4_575 ?
N19 Ag4 N14 143.66(15) 3_566 . ?
N19 Ag4 N11 100.14(15) 3_566 4_575 ?
N14 Ag4 N11 113.09(14) . 4_575 ?
N19 Ag4 N8 100.07(13) 3_566 . ?
N14 Ag4 N8 95.98(12) . . ?
N11 Ag4 N8 87.17(12) 4_575 . ?
N19 Ag4 Ag2 153.62(11) 3_566 . ?
N14 Ag4 Ag2 61.78(10) . . ?
N11 Ag4 Ag2 61.41(10) 4_575 . ?
N8 Ag4 Ag2 62.61(9) . . ?
N9 Ag5 N12 178.06(18) . . ?
N18 Ag6 N24 135.99(15) . 4_565 ?
N18 Ag6 N15 122.90(13) . . ?
N24 Ag6 N15 101.11(13) 4_565 . ?
N22 Ag7 N21 133.71(13) . . ?
N22 Ag7 N16 114.52(14) . . ?
N21 Ag7 N16 109.87(13) . . ?
N23 Ag8 N3 137.23(13) . 2_545 ?
N23 Ag8 N17 115.47(14) . . ?
N3 Ag8 N17 106.63(13) 2_545 . ?
C1 N1 N2 106.7(4) . . ?
C1 N1 Ag1 135.0(3) . . ?
N2 N1 Ag1 118.0(2) . . ?
C5 N2 N1 104.8(3) . . ?
C5 N2 Ag2 134.8(3) . . ?
N1 N2 Ag2 118.7(3) . . ?
C5 N3 C1 104.6(4) . . ?
C5 N3 Ag8 127.1(3) . 2 ?
C1 N3 Ag8 127.6(3) . 2 ?
C9 N4 N5 107.2(4) . . ?
C9 N4 Ag1 131.6(4) . . ?
N5 N4 Ag1 120.1(3) . . ?
C13 N5 N4 105.4(4) . . ?
C13 N5 Ag3 132.6(4) . . ?
N4 N5 Ag3 118.9(3) . . ?
C13 N6 C9 102.7(4) . . ?
C17 N7 N8 106.7(3) . . ?
C17 N7 Ag2 115.1(3) . . ?
N8 N7 Ag2 103.3(2) . . ?
C17 N7 Ag1 122.0(3) . . ?
N8 N7 Ag1 119.7(2) . . ?
Ag2 N7 Ag1 87.13(10) . . ?
C21 N8 N7 105.3(3) . . ?
C21 N8 Ag3 116.2(3) . . ?
N7 N8 Ag3 106.6(2) . . ?
C21 N8 Ag4 126.3(3) . . ?
N7 N8 Ag4 117.0(2) . . ?
Ag3 N8 Ag4 82.74(9) . . ?
C21 N9 C17 102.9(3) . . ?
C21 N9 Ag5 130.2(3) . . ?
C17 N9 Ag5 126.4(3) . . ?
C25 N10 N11 108.3(4) . . ?
C25 N10 Ag3 119.6(4) . 4_676 ?
N11 N10 Ag3 124.4(3) . 4_676 ?
N10 N11 C29 106.4(4) . . ?
N10 N11 Ag4 102.3(3) . 4_676 ?
C29 N11 Ag4 124.8(3) . 4_676 ?
C25 N12 C29 105.7(4) . . ?
C25 N12 Ag5 129.6(4) . . ?
C29 N12 Ag5 124.6(3) . . ?
C33 N13 N14 106.5(4) . . ?
C33 N13 Ag2 136.4(3) . . ?
N14 N13 Ag2 115.3(2) . . ?
C37 N14 N13 105.8(3) . . ?
C37 N14 Ag4 136.5(3) . . ?
N13 N14 Ag4 112.9(3) . . ?
C37 N15 C33 101.7(4) . . ?
C37 N15 Ag6 120.1(3) . . ?
C33 N15 Ag6 136.3(3) . . ?
C41 N16 N17 106.9(4) . . ?
C41 N16 Ag7 133.2(4) . . ?
N17 N16 Ag7 113.5(3) . . ?
C45 N17 N16 105.8(4) . . ?
C45 N17 Ag8 132.3(3) . . ?
N16 N17 Ag8 117.1(2) . . ?
C41 N18 C45 103.8(3) . . ?
C41 N18 Ag6 128.3(3) . . ?
C45 N18 Ag6 127.8(3) . . ?
C49 N19 N20 105.3(4) . . ?
C49 N19 Ag4 136.5(4) . 3_566 ?
N20 N19 Ag4 117.7(3) . 3_566 ?
C53 N20 N19 106.3(4) . . ?
C53 N20 Ag3 134.6(4) . 3_566 ?
N19 N20 Ag3 113.9(3) . 3_566 ?
C49 N21 C53 102.4(4) . . ?
C49 N21 Ag7 133.1(3) . . ?
C53 N21 Ag7 123.7(3) . . ?
C57 N22 N23 106.0(3) . . ?
C57 N22 Ag7 129.7(3) . . ?
N23 N22 Ag7 124.3(2) . . ?
C61 N23 N22 106.8(3) . . ?
C61 N23 Ag8 133.3(3) . . ?
N22 N23 Ag8 119.3(2) . . ?
C57 N24 C61 102.9(3) . . ?
C57 N24 Ag6 134.1(3) . 4_666 ?
C61 N24 Ag6 122.6(3) . 4_666 ?
N1 C1 N3 112.2(4) . . ?
N1 C1 C2 121.7(5) . . ?
N3 C1 C2 126.0(5) . . ?
C3 C2 C4 127.3(9) . . ?
C3 C2 C1 114.2(7) . . ?
C4 C2 C1 112.5(6) . . ?
C3 C2 H2 98.1 . . ?
C4 C2 H2 98.1 . . ?
C1 C2 H2 98.1 . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N3 C5 N2 111.6(4) . . ?
N3 C5 C6 125.6(4) . . ?
N2 C5 C6 122.7(4) . . ?
C5 C6 C8 111.7(4) . . ?
C5 C6 C7 111.5(4) . . ?
C8 C6 C7 110.8(5) . . ?
C5 C6 H6 107.5 . . ?
C8 C6 H6 107.5 . . ?
C7 C6 H6 107.5 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N4 C9 N6 111.1(5) . . ?
N4 C9 C10 124.8(5) . . ?
N6 C9 C10 124.0(5) . . ?
C12 C10 C9 111.2(5) . . ?
C12 C10 C11 115.0(6) . . ?
C9 C10 C11 109.8(5) . . ?
C12 C10 H10 106.8 . . ?
C9 C10 H10 106.8 . . ?
C11 C10 H10 106.8 . . ?
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 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N6 C13 N5 113.4(5) . . ?
N6 C13 C14 126.0(5) . . ?
N5 C13 C14 120.4(5) . . ?
C16 C14 C15 114.2(7) . . ?
C16 C14 C13 113.5(6) . . ?
C15 C14 C13 109.4(6) . . ?
C16 C14 H14 106.4 . . ?
C15 C14 H14 106.4 . . ?
C13 C14 H14 106.4 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N7 C17 N9 111.8(4) . . ?
N7 C17 C18 122.0(4) . . ?
N9 C17 C18 126.2(4) . . ?
C19 C18 C17 116.5(7) . . ?
C19 C18 C20 118.6(5) . . ?
C17 C18 C20 113.1(6) . . ?
C19 C18 H18 101.6 . . ?
C17 C18 H18 101.6 . . ?
C20 C18 H18 101.6 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N8 C21 N9 113.2(4) . . ?
N8 C21 C22 120.1(4) . . ?
N9 C21 C22 126.7(4) . . ?
C23 C22 C24 120.0(6) . . ?
C23 C22 C21 113.9(6) . . ?
C24 C22 C21 111.9(6) . . ?
C23 C22 H22 102.7 . . ?
C24 C22 H22 102.7 . . ?
C21 C22 H22 102.7 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N10 C25 N12 110.6(5) . . ?
N10 C25 C26 123.3(5) . . ?
N12 C25 C26 126.0(4) . . ?
C27 C26 C25 112.7(6) . . ?
C27 C26 C28 110.8(6) . . ?
C25 C26 C28 111.1(6) . . ?
C27 C26 H26 107.3 . . ?
C25 C26 H26 107.3 . . ?
C28 C26 H26 107.3 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N12 C29 N11 109.0(5) . . ?
N12 C29 C30 124.7(4) . . ?
N11 C29 C30 126.0(5) . . ?
C29 C30 C32 113.4(5) . . ?
C29 C30 C31 110.7(5) . . ?
C32 C30 C31 111.3(6) . . ?
C29 C30 H30 107.0 . . ?
C32 C30 H30 107.0 . . ?
C31 C30 H30 107.0 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
N13 C33 N15 112.4(4) . . ?
N13 C33 C34 121.5(4) . . ?
N15 C33 C34 126.1(4) . . ?
C35 C34 C33 113.9(4) . . ?
C35 C34 C36 113.7(6) . . ?
C33 C34 C36 108.6(5) . . ?
C35 C34 H34 106.7 . . ?
C33 C34 H34 106.7 . . ?
C36 C34 H34 106.7 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
N14 C37 N15 113.6(4) . . ?
N14 C37 C38 124.2(4) . . ?
N15 C37 C38 122.2(4) . . ?
C37 C38 C40 111.8(4) . . ?
C37 C38 C39 109.4(4) . . ?
C40 C38 C39 111.4(4) . . ?
C37 C38 H38 108.0 . . ?
C40 C38 H38 108.0 . . ?
C39 C38 H38 108.0 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
N16 C41 N18 112.1(5) . . ?
N16 C41 C42 121.9(4) . . ?
N18 C41 C42 125.9(4) . . ?
C43 C42 C44 113.6(6) . . ?
C43 C42 C41 111.9(6) . . ?
C44 C42 C41 113.5(5) . . ?
C43 C42 H42 105.7 . . ?
C44 C42 H42 105.7 . . ?
C41 C42 H42 105.7 . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C42 C44 H44A 109.5 . . ?
C42 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C42 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
N17 C45 N18 111.3(4) . . ?
N17 C45 C46 122.0(4) . . ?
N18 C45 C46 126.6(4) . . ?
C45 C46 C48 111.5(5) . . ?
C45 C46 C47 112.0(5) . . ?
C48 C46 C47 112.7(5) . . ?
C45 C46 H46 106.7 . . ?
C48 C46 H46 106.7 . . ?
C47 C46 H46 106.7 . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C46 C48 H48A 109.5 . . ?
C46 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C46 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
N19 C49 N21 114.4(4) . . ?
N19 C49 C50 119.4(5) . . ?
N21 C49 C50 125.9(5) . . ?
C51 C50 C49 110.5(6) . . ?
C51 C50 C52 114.7(6) . . ?
C49 C50 C52 113.8(5) . . ?
C51 C50 H50 105.6 . . ?
C49 C50 H50 105.6 . . ?
C52 C50 H50 105.6 . . ?
C50 C51 H51A 109.5 . . ?
C50 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C50 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C50 C52 H52A 109.5 . . ?
C50 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C50 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
N20 C53 N21 111.6(5) . . ?
N20 C53 C54 122.3(5) . . ?
N21 C53 C54 126.2(5) . . ?
C53 C54 C56 116.0(6) . . ?
C53 C54 C55 112.0(5) . . ?
C56 C54 C55 113.3(6) . . ?
C53 C54 H54 104.7 . . ?
C56 C54 H54 104.7 . . ?
C55 C54 H54 104.7 . . ?
C54 C55 H55A 109.5 . . ?
C54 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C54 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C54 C56 H56A 109.5 . . ?
C54 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C54 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
N22 C57 N24 112.1(4) . . ?
N22 C57 C58 122.6(4) . . ?
N24 C57 C58 125.2(4) . . ?
C60 C58 C59 120.4(5) . . ?
C60 C58 C57 115.6(6) . . ?
C59 C58 C57 112.2(5) . . ?
C60 C58 H58 101.5 . . ?
C59 C58 H58 101.5 . . ?
C57 C58 H58 101.5 . . ?
C58 C59 H59A 109.5 . . ?
C58 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C58 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C58 C60 H60A 109.5 . . ?
C58 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C58 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
N23 C61 N24 112.2(4) . . ?
N23 C61 C62 125.1(4) . . ?
N24 C61 C62 122.7(3) . . ?
C63 C62 C64 114.7(5) . . ?
C63 C62 C61 111.5(5) . . ?
C64 C62 C61 110.9(5) . . ?
C63 C62 H62 106.4 . . ?
C64 C62 H62 106.4 . . ?
C61 C62 H62 106.4 . . ?
C62 C63 H63A 109.5 . . ?
C62 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C62 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C62 C64 H64A 109.5 . . ?
C62 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C62 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C66 C65 C70 120.0 . . ?
C66 C65 H65 120.0 . . ?
C70 C65 H65 120.0 . . ?
C65 C66 C67 120.0 . . ?
C65 C66 H66 120.0 . . ?
C67 C66 H66 120.0 . . ?
C68 C67 C66 120.0 . . ?
C68 C67 H67 120.0 . . ?
C66 C67 H67 120.0 . . ?
C69 C68 C67 120.0 . . ?
C69 C68 H68 120.0 . . ?
C67 C68 H68 120.0 . . ?
C70 C69 C68 120.0 . . ?
C70 C69 H69 120.0 . . ?
C68 C69 H69 120.0 . . ?
C69 C70 C65 120.0 . . ?
C69 C70 H70 120.0 . . ?
C65 C70 H70 120.0 . . ?
O1 C71 H71A 109.5 . . ?
O1 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
O1 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C71 O1 H1 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.971
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.971
_refine_diff_density_max         1.376
_refine_diff_density_min         -1.297
_refine_diff_density_rms         0.227
