#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/25/4312588.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4312588
loop_
_publ_author_name
'Xiao-Li Zhao'
'Quan-Ming Wang'
'Thomas C. W. Mak'
_publ_section_title
;
 Self-Assembled Silver Polyhedra with Embedded Acetylide Dianion
 Stabilized by Perfluorocarboxylate and 4-Hydroxyquinoline Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7872
_journal_page_last               7876
_journal_paper_doi               10.1021/ic034595l
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C58 H37 Ag5 F18 N5 O19.5'
_chemical_formula_weight         1997.28
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 106.6610(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.8876(11)
_cell_length_b                   22.4392(10)
_cell_length_c                   27.5075(13)
_cell_measurement_temperature    293(2)
_cell_volume                     14125.5(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0998
_diffrn_reflns_av_sigmaI/netI    0.1448
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            49481
_diffrn_reflns_theta_full        28.07
_diffrn_reflns_theta_max         28.07
_diffrn_reflns_theta_min         1.35
_exptl_absorpt_coefficient_mu    1.481
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.527741
_exptl_absorpt_correction_type   Sadabs
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.878
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Rhombus
_exptl_crystal_F_000             7784
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.326
_refine_diff_density_min         -0.954
_refine_diff_density_rms         0.164
_refine_ls_extinction_coef       0.000029(15)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.930
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     991
_refine_ls_number_reflns         17075
_refine_ls_number_restraints     78
_refine_ls_restrained_S_all      0.929
_refine_ls_R_factor_all          0.1868
_refine_ls_R_factor_gt           0.0665
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1078P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1680
_refine_ls_wR_factor_ref         0.2247
_reflns_number_gt                6567
_reflns_number_total             17075
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034595lsi20030826_024656_1.cif
_cod_data_source_block           compound1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_formula_sum        'C58 H37 Ag5 F18 N5 O19.50'
_cod_database_code               4312588
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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 0.59305(3) 0.71739(3) 0.28377(3) 0.0539(2) Uani 1 1 d . . .
Ag2 Ag 0.48548(3) 0.71560(3) 0.32448(3) 0.0530(2) Uani 1 1 d . . .
Ag3 Ag 0.58149(3) 0.59546(3) 0.22604(3) 0.0545(2) Uani 1 1 d . . .
Ag4 Ag 0.56159(4) 0.59692(3) 0.32863(3) 0.0576(2) Uani 1 1 d . . .
Ag5 Ag 0.5000 0.80486(5) 0.2500 0.0578(3) Uani 1 2 d S . .
Ag6 Ag 0.5000 0.51039(5) 0.2500 0.0648(3) Uani 1 2 d S . .
C1 C 0.5225(4) 0.6542(5) 0.2514(5) 0.073(3) Uani 1 1 d . . .
O1 O 0.3795(3) 0.5220(3) 0.3036(3) 0.070(2) Uani 1 1 d . . .
O2 O 0.4649(3) 0.4745(4) 0.3244(3) 0.088(3) Uani 1 1 d . . .
C2 C 0.4135(5) 0.4794(4) 0.3220(4) 0.059(3) Uani 1 1 d D . .
C3 C 0.3845(7) 0.4300(6) 0.3441(6) 0.087(4) Uani 1 1 d D . .
F11 F 0.3695(8) 0.3870(5) 0.3139(5) 0.225(8) Uani 1 1 d . . .
F12 F 0.3405(5) 0.4416(5) 0.3556(6) 0.220(8) Uani 1 1 d . . .
F13 F 0.4167(5) 0.4040(5) 0.3820(5) 0.193(6) Uani 1 1 d . . .
O3 O 0.6482(3) 0.7906(3) 0.3193(3) 0.079(2) Uani 1 1 d . . .
O4 O 0.5731(3) 0.8433(4) 0.3300(4) 0.095(3) Uani 1 1 d . . .
C4 C 0.6236(6) 0.8341(5) 0.3329(5) 0.073(3) Uani 1 1 d D A .
C5 C 0.6681(5) 0.8816(5) 0.3570(5) 0.111(6) Uani 1 1 d D . .
F21 F 0.6465(11) 0.9312(9) 0.3698(15) 0.164(14) Uani 0.50 1 d PDU A 1
F22 F 0.7035(14) 0.8598(9) 0.3993(10) 0.170(12) Uani 0.50 1 d PDU A 1
F23 F 0.7036(15) 0.8977(16) 0.3304(12) 0.190(14) Uani 0.50 1 d PDU A 1
F21' F 0.6568(11) 0.8985(16) 0.3991(9) 0.153(11) Uani 0.50 1 d PDU A 2
F22' F 0.7250(5) 0.8736(13) 0.3689(13) 0.146(12) Uani 0.50 1 d PDU A 2
F23' F 0.6581(13) 0.9285(9) 0.3266(10) 0.166(11) Uani 0.50 1 d PDU A 2
O6 O 0.5231(3) 0.5833(3) 0.3961(3) 0.0628(19) Uani 1 1 d . . .
O5 O 0.4437(3) 0.6421(3) 0.3737(3) 0.0554(17) Uani 1 1 d . . .
C6 C 0.4760(4) 0.6048(4) 0.4011(4) 0.046(2) Uani 1 1 d D . .
C7 C 0.4599(6) 0.5835(6) 0.4481(5) 0.072(3) Uani 1 1 d D . .
F31 F 0.5011(5) 0.5970(5) 0.4902(3) 0.153(4) Uani 1 1 d . . .
F32 F 0.4592(5) 0.5276(4) 0.4506(4) 0.154(4) Uani 1 1 d . . .
F33 F 0.4140(4) 0.6049(5) 0.4543(4) 0.169(5) Uani 1 1 d . . .
O7 O 0.5624(3) 0.7288(3) 0.3997(2) 0.0569(18) Uani 1 1 d . . .
O8 O 0.6307(3) 0.6697(3) 0.3860(3) 0.0623(19) Uani 1 1 d . . .
C8 C 0.6105(4) 0.7051(4) 0.4109(3) 0.047(2) Uani 1 1 d D . .
C9 C 0.6482(6) 0.7223(7) 0.4623(5) 0.086(4) Uani 1 1 d D . .
F41 F 0.6451(4) 0.7754(4) 0.4763(4) 0.168(5) Uani 1 1 d . . .
F42 F 0.6297(6) 0.6946(6) 0.4975(4) 0.183(5) Uani 1 1 d . . .
F43 F 0.7006(4) 0.7012(6) 0.4740(4) 0.188(6) Uani 1 1 d . . .
O9 O 0.5822(3) 0.4567(3) 0.2919(3) 0.074(2) Uani 1 1 d . . .
O10 O 0.6358(3) 0.5281(3) 0.3401(3) 0.075(2) Uani 1 1 d . . .
C10 C 0.6276(4) 0.4780(5) 0.3200(4) 0.056(3) Uani 1 1 d D . .
C11 C 0.6823(5) 0.4385(5) 0.3293(5) 0.067(3) Uani 1 1 d D . .
F51 F 0.6688(3) 0.3809(3) 0.3282(3) 0.105(3) Uani 1 1 d . . .
F52 F 0.7195(3) 0.4464(4) 0.3736(3) 0.116(3) Uani 1 1 d . . .
F53 F 0.7092(3) 0.4467(3) 0.2961(3) 0.103(3) Uani 1 1 d . . .
O11 O 0.4191(3) 0.7851(3) 0.3347(3) 0.075(2) Uani 1 1 d . . .
O12 O 0.4385(4) 0.8559(4) 0.2859(4) 0.091(3) Uani 1 1 d . . .
C12 C 0.4136(4) 0.8341(5) 0.3153(4) 0.058(3) Uani 1 1 d D . .
C13 C 0.3689(5) 0.8767(5) 0.3265(6) 0.073(3) Uani 1 1 d D . .
F61 F 0.3212(3) 0.8765(4) 0.2889(4) 0.137(4) Uani 1 1 d . . .
F62 F 0.3557(5) 0.8647(4) 0.3685(4) 0.150(4) Uani 1 1 d . . .
F63 F 0.3867(4) 0.9315(3) 0.3323(4) 0.120(3) Uani 1 1 d . . .
N1 N 0.8241(7) 0.7224(7) 0.2530(5) 0.138(5) Uani 1 1 d . . .
H1A H 0.8588 0.7335 0.2535 0.165 Uiso 1 1 calc R . .
C14 C 0.7785(8) 0.7642(10) 0.2372(7) 0.128(7) Uani 1 1 d . . .
H14A H 0.7829 0.8023 0.2254 0.153 Uiso 1 1 calc R . .
C15 C 0.7284(10) 0.7421(6) 0.2416(6) 0.120(7) Uani 1 1 d . . .
H15A H 0.6971 0.7686 0.2340 0.144 Uiso 1 1 calc R . .
C16 C 0.7143(6) 0.6766(8) 0.2579(5) 0.106(6) Uani 1 1 d . . .
C17 C 0.7634(6) 0.6493(8) 0.2687(5) 0.104(5) Uani 1 1 d . . .
C18 C 0.7551(6) 0.5842(5) 0.2863(5) 0.077(4) Uani 1 1 d . . .
H18A H 0.7196 0.5690 0.2882 0.093 Uiso 1 1 calc R . .
C19 C 0.8052(6) 0.5531(7) 0.2985(6) 0.101(5) Uani 1 1 d . . .
H19A H 0.8062 0.5137 0.3092 0.121 Uiso 1 1 calc R . .
C20 C 0.8539(11) 0.5804(14) 0.2948(7) 0.201(15) Uani 1 1 d . . .
H20A H 0.8869 0.5563 0.3052 0.241 Uiso 1 1 calc R . .
C21 C 0.8653(10) 0.6315(10) 0.2803(7) 0.142(7) Uani 1 1 d . . .
H21A H 0.9019 0.6438 0.2786 0.171 Uiso 1 1 calc R . .
C22 C 0.8168(5) 0.6653(5) 0.2676(4) 0.057(3) Uani 1 1 d . . .
O13 O 0.6645(3) 0.6620(3) 0.2584(3) 0.077(2) Uani 1 1 d . . .
N2 N 0.3311(4) 0.6838(4) 0.3832(4) 0.071(3) Uani 1 1 d . . .
H2A H 0.3620 0.6707 0.3767 0.085 Uiso 1 1 calc R . .
C23 C 0.3329(5) 0.7381(6) 0.4049(5) 0.083(4) Uani 1 1 d . . .
H23A H 0.3668 0.7609 0.4125 0.100 Uiso 1 1 calc R . .
C24 C 0.2844(6) 0.7585(6) 0.4151(5) 0.083(4) Uani 1 1 d . . .
H24A H 0.2856 0.7959 0.4298 0.099 Uiso 1 1 calc R . .
C25 C 0.2326(5) 0.7261(5) 0.4045(5) 0.065(3) Uani 1 1 d . . .
C26 C 0.2319(4) 0.6698(4) 0.3819(4) 0.055(3) Uani 1 1 d . . .
C27 C 0.1823(5) 0.6350(5) 0.3698(5) 0.077(3) Uani 1 1 d . . .
H27A H 0.1479 0.6482 0.3757 0.092 Uiso 1 1 calc R . .
C28 C 0.1856(7) 0.5789(6) 0.3481(5) 0.100(5) Uani 1 1 d . . .
H28A H 0.1529 0.5544 0.3394 0.120 Uiso 1 1 calc R . .
C29 C 0.2375(8) 0.5597(6) 0.3395(5) 0.099(5) Uani 1 1 d . . .
H29A H 0.2389 0.5223 0.3253 0.119 Uiso 1 1 calc R . .
C30 C 0.2843(7) 0.5933(6) 0.3511(5) 0.085(4) Uani 1 1 d . . .
H30A H 0.3188 0.5795 0.3457 0.103 Uiso 1 1 calc R . .
C31 C 0.2822(5) 0.6488(5) 0.3712(4) 0.064(3) Uani 1 1 d . . .
O14 O 0.1856(3) 0.7460(3) 0.4144(4) 0.086(3) Uani 1 1 d D . .
H145 H 0.193(5) 0.793(2) 0.439(3) 0.120 Uiso 1 1 d D . .
O15 O 0.2021(3) 0.8371(3) 0.4670(3) 0.082(2) Uani 1 1 d D . .
C32 C 0.0708(5) 0.9162(5) 0.4073(4) 0.067(3) Uani 1 1 d . . .
H32A H 0.0351 0.9110 0.3828 0.080 Uiso 1 1 calc R . .
C33 C 0.1093(5) 0.8695(4) 0.4186(4) 0.059(3) Uani 1 1 d . . .
H33A H 0.1000 0.8331 0.4023 0.071 Uiso 1 1 calc R . .
C34 C 0.1626(5) 0.8780(5) 0.4552(4) 0.060(3) Uani 1 1 d . . .
C35 C 0.1749(5) 0.9346(4) 0.4801(4) 0.055(3) Uani 1 1 d . . .
C36 C 0.2288(5) 0.9464(5) 0.5165(4) 0.073(3) Uani 1 1 d . . .
H36A H 0.2574 0.9171 0.5259 0.088 Uiso 1 1 calc R . .
C37 C 0.2376(7) 1.0001(6) 0.5369(5) 0.093(4) Uani 1 1 d . . .
H37A H 0.2730 1.0090 0.5607 0.111 Uiso 1 1 calc R . .
C38 C 0.1933(8) 1.0446(6) 0.5228(6) 0.105(5) Uani 1 1 d . . .
H38A H 0.2000 1.0817 0.5385 0.126 Uiso 1 1 calc R . .
C39 C 0.1435(6) 1.0349(5) 0.4886(5) 0.074(3) Uani 1 1 d . . .
H39A H 0.1154 1.0647 0.4800 0.089 Uiso 1 1 calc R . .
C40 C 0.1335(5) 0.9804(4) 0.4658(4) 0.053(2) Uani 1 1 d . . .
N3 N 0.0827(4) 0.9686(4) 0.4302(3) 0.060(2) Uani 1 1 d . . .
H3A H 0.0569 0.9963 0.4219 0.072 Uiso 1 1 calc R . .
N4 N 1.0191(4) 0.3351(4) 0.4396(4) 0.072(3) Uani 1 1 d . . .
H4A H 1.0398 0.3075 0.4314 0.087 Uiso 1 1 calc R . .
C41 C 1.0218(5) 0.3896(6) 0.4218(5) 0.078(3) Uani 1 1 d . . .
H41A H 1.0436 0.3968 0.3993 0.094 Uiso 1 1 calc R . .
C42 C 0.9917(6) 0.4366(5) 0.4371(5) 0.080(4) Uani 1 1 d . . .
H42A H 0.9963 0.4753 0.4269 0.095 Uiso 1 1 calc R . .
C43 C 0.9545(5) 0.4255(5) 0.4676(4) 0.068(3) Uani 1 1 d . . .
C44 C 0.9523(5) 0.3658(5) 0.4846(4) 0.064(3) Uani 1 1 d . . .
C45 C 0.9180(6) 0.3493(6) 0.5164(5) 0.090(4) Uani 1 1 d . . .
H45A H 0.8969 0.3782 0.5279 0.107 Uiso 1 1 calc R . .
C46 C 0.9156(8) 0.2934(8) 0.5301(6) 0.121(6) Uani 1 1 d . . .
H46A H 0.8905 0.2822 0.5488 0.145 Uiso 1 1 calc R . .
C47 C 0.9510(7) 0.2511(7) 0.5163(6) 0.105(5) Uani 1 1 d . . .
H47A H 0.9512 0.2125 0.5285 0.126 Uiso 1 1 calc R . .
C48 C 0.9845(6) 0.2636(5) 0.4863(5) 0.075(3) Uani 1 1 d . . .
H48A H 1.0065 0.2340 0.4769 0.089 Uiso 1 1 calc R . .
C49 C 0.9860(5) 0.3207(5) 0.4697(4) 0.060(3) Uani 1 1 d . . .
O16 O 0.9259(4) 0.4667(3) 0.4804(3) 0.087(3) Uani 1 1 d D . .
H167 H 0.920(5) 0.5143(12) 0.457(2) 0.120 Uiso 1 1 d D . .
O17 O 0.9172(3) 0.5660(3) 0.4420(3) 0.087(3) Uani 1 1 d D . .
C50 C 0.7626(5) 0.5753(5) 0.4208(5) 0.070(3) Uani 1 1 d . . .
H50A H 0.7320 0.5512 0.4236 0.084 Uiso 1 1 calc R . .
C51 C 0.8176(5) 0.5536(5) 0.4337(4) 0.070(3) Uani 1 1 d . . .
H51A H 0.8236 0.5143 0.4446 0.084 Uiso 1 1 calc R . .
C52 C 0.8646(5) 0.5864(5) 0.4314(4) 0.060(3) Uani 1 1 d . . .
C53 C 0.8532(4) 0.6464(4) 0.4120(4) 0.054(3) Uani 1 1 d . . .
C54 C 0.8965(5) 0.6848(5) 0.4075(5) 0.069(3) Uani 1 1 d . . .
H54A H 0.9350 0.6715 0.4155 0.083 Uiso 1 1 calc R . .
C55 C 0.8841(6) 0.7408(5) 0.3918(5) 0.079(4) Uani 1 1 d . . .
H55A H 0.9142 0.7663 0.3902 0.094 Uiso 1 1 calc R . .
C56 C 0.8289(7) 0.7608(6) 0.3784(5) 0.083(4) Uani 1 1 d . . .
H56A H 0.8214 0.7995 0.3662 0.100 Uiso 1 1 calc R . .
C57 C 0.7848(6) 0.7270(5) 0.3820(4) 0.075(3) Uani 1 1 d . . .
H57A H 0.7469 0.7420 0.3731 0.089 Uiso 1 1 calc R . .
C58 C 0.7963(5) 0.6673(4) 0.3996(4) 0.058(3) Uani 1 1 d . . .
N5 N 0.7519(4) 0.6316(4) 0.4039(3) 0.063(2) Uani 1 1 d . . .
H5A H 0.7168 0.6451 0.3957 0.076 Uiso 1 1 calc R . .
O1W O 0.4777(9) 0.1351(9) 0.1938(8) 0.112(6) Uiso 0.50 1 d P . .
O2W O 0.4852(15) 0.3534(12) 0.2227(11) 0.204(13) Uiso 0.50 1 d P . .
O3W O 0.5000 0.0856(14) 0.2500 0.136(11) Uiso 0.50 2 d SP . .
O4W O 0.5000 -0.0202(18) 0.2500 0.183(15) Uiso 0.50 2 d SPU . .
O5W O 0.4903(17) -0.0125(18) 0.1998(16) 0.106(11) Uiso 0.25 1 d PU . .
O6W O 0.4314(17) 0.2585(17) 0.2536(16) 0.112(12) Uiso 0.25 1 d P . .
O7W O 0.417(2) 0.253(2) 0.185(2) 0.169(19) Uiso 0.25 1 d P . .
O8W O 0.4714(16) 0.0228(17) 0.1675(16) 0.106(12) Uiso 0.25 1 d PU . .
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_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
O3 Ag1 C1 167.8(3) . . ?
O3 Ag1 O13 97.8(3) . . ?
C1 Ag1 O13 94.4(3) . . ?
O3 Ag1 Ag5 86.7(2) . . ?
C1 Ag1 Ag5 83.0(3) . . ?
O13 Ag1 Ag5 143.9(2) . . ?
O3 Ag1 Ag2 125.5(2) . 2_655 ?
C1 Ag1 Ag2 53.4(3) . 2_655 ?
O13 Ag1 Ag2 90.0(2) . 2_655 ?
Ag5 Ag1 Ag2 59.63(2) . 2_655 ?
O3 Ag1 Ag2 108.0(2) . . ?
C1 Ag1 Ag2 60.9(3) . . ?
O13 Ag1 Ag2 147.61(17) . . ?
Ag5 Ag1 Ag2 59.01(2) . . ?
Ag2 Ag1 Ag2 90.63(3) 2_655 . ?
O3 Ag1 Ag3 148.0(2) . . ?
C1 Ag1 Ag3 44.2(3) . . ?
O13 Ag1 Ag3 50.21(17) . . ?
Ag5 Ag1 Ag3 118.59(3) . . ?
Ag2 Ag1 Ag3 63.32(2) 2_655 . ?
Ag2 Ag1 Ag3 102.18(3) . . ?
O3 Ag1 Ag4 131.3(2) . . ?
C1 Ag1 Ag4 50.2(3) . . ?
O13 Ag1 Ag4 86.42(18) . . ?
Ag5 Ag1 Ag4 117.22(3) . . ?
Ag2 Ag1 Ag4 102.91(3) 2_655 . ?
Ag2 Ag1 Ag4 61.92(2) . . ?
Ag3 Ag1 Ag4 56.87(2) . . ?
O11 Ag2 O7 101.4(3) . . ?
O11 Ag2 C1 126.5(3) . 2_655 ?
O7 Ag2 C1 131.7(3) . 2_655 ?
O11 Ag2 O5 89.2(2) . . ?
O7 Ag2 O5 86.5(2) . . ?
C1 Ag2 O5 98.3(3) 2_655 . ?
O11 Ag2 Ag5 81.2(2) . . ?
O7 Ag2 Ag5 107.83(17) . . ?
C1 Ag2 Ag5 77.7(3) 2_655 . ?
O5 Ag2 Ag5 163.98(16) . . ?
O11 Ag2 Ag1 81.8(2) . 2_655 ?
O7 Ag2 Ag1 165.29(18) . 2_655 ?
C1 Ag2 Ag1 45.5(2) 2_655 2_655 ?
O5 Ag2 Ag1 107.97(16) . 2_655 ?
Ag5 Ag2 Ag1 58.17(2) . 2_655 ?
O11 Ag2 Ag1 135.3(2) . . ?
O7 Ag2 Ag1 78.27(17) . . ?
C1 Ag2 Ag1 64.5(2) 2_655 . ?
O5 Ag2 Ag1 134.81(14) . . ?
Ag5 Ag2 Ag1 57.58(2) . . ?
Ag1 Ag2 Ag1 89.35(3) 2_655 . ?
O11 Ag2 Ag4 164.4(2) . . ?
O7 Ag2 Ag4 77.44(15) . . ?
C1 Ag2 Ag4 58.1(2) 2_655 . ?
O5 Ag2 Ag4 75.22(14) . . ?
Ag5 Ag2 Ag4 114.16(3) . . ?
Ag1 Ag2 Ag4 103.35(3) 2_655 . ?
Ag1 Ag2 Ag4 60.07(2) . . ?
O11 Ag2 Ag3 110.2(2) . 2_655 ?
O7 Ag2 Ag3 130.24(16) . 2_655 ?
C1 Ag2 Ag3 42.4(2) 2_655 2_655 ?
O5 Ag2 Ag3 57.43(16) . 2_655 ?
Ag5 Ag2 Ag3 114.11(3) . 2_655 ?
Ag1 Ag2 Ag3 59.92(2) 2_655 2_655 ?
Ag1 Ag2 Ag3 102.45(3) . 2_655 ?
Ag4 Ag2 Ag3 61.92(2) . 2_655 ?
O1 Ag3 C1 165.1(3) 2_655 . ?
O1 Ag3 O13 102.2(3) 2_655 . ?
C1 Ag3 O13 92.6(3) . . ?
O1 Ag3 Ag6 88.53(19) 2_655 . ?
C1 Ag3 Ag6 77.9(3) . . ?
O13 Ag3 Ag6 147.0(2) . . ?
O1 Ag3 Ag4 124.4(2) 2_655 . ?
C1 Ag3 Ag4 53.2(3) . . ?
O13 Ag3 Ag4 88.9(2) . . ?
Ag6 Ag3 Ag4 60.02(2) . . ?
O1 Ag3 Ag1 150.5(2) 2_655 . ?
C1 Ag3 Ag1 44.2(3) . . ?
O13 Ag3 Ag1 48.41(17) . . ?
Ag6 Ag3 Ag1 114.95(3) . . ?
Ag4 Ag3 Ag1 61.82(3) . . ?
O1 Ag3 Ag2 133.3(2) 2_655 2_655 ?
C1 Ag3 Ag2 49.5(3) . 2_655 ?
O13 Ag3 Ag2 84.10(18) . 2_655 ?
Ag6 Ag3 Ag2 111.11(3) . 2_655 ?
Ag4 Ag3 Ag2 101.71(3) . 2_655 ?
Ag1 Ag3 Ag2 56.76(2) . 2_655 ?
O1 Ag3 Ag4 109.6(2) 2_655 2_655 ?
C1 Ag3 Ag4 57.6(3) . 2_655 ?
O13 Ag3 Ag4 141.68(17) . 2_655 ?
Ag6 Ag3 Ag4 56.23(2) . 2_655 ?
Ag4 Ag3 Ag4 90.33(3) . 2_655 ?
Ag1 Ag3 Ag4 98.67(3) . 2_655 ?
Ag2 Ag3 Ag4 58.60(2) 2_655 2_655 ?
O10 Ag4 O6 105.6(3) . . ?
O10 Ag4 C1 124.2(3) . . ?
O6 Ag4 C1 129.0(3) . . ?
O10 Ag4 O8 90.5(3) . . ?
O6 Ag4 O8 85.6(2) . . ?
C1 Ag4 O8 102.9(3) . . ?
O10 Ag4 Ag6 82.1(2) . . ?
O6 Ag4 Ag6 105.68(18) . . ?
C1 Ag4 Ag6 73.9(3) . . ?
O8 Ag4 Ag6 167.79(16) . . ?
O10 Ag4 Ag3 78.3(2) . . ?
O6 Ag4 Ag3 163.96(18) . . ?
C1 Ag4 Ag3 46.1(3) . . ?
O8 Ag4 Ag3 110.11(17) . . ?
Ag6 Ag4 Ag3 58.99(2) . . ?
O10 Ag4 Ag1 111.6(2) . . ?
O6 Ag4 Ag1 128.42(16) . . ?
C1 Ag4 Ag1 43.8(2) . . ?
O8 Ag4 Ag1 60.25(17) . . ?
Ag6 Ag4 Ag1 113.61(3) . . ?
Ag3 Ag4 Ag1 61.31(2) . . ?
O10 Ag4 Ag2 165.4(2) . . ?
O6 Ag4 Ag2 77.71(16) . . ?
C1 Ag4 Ag2 57.1(3) . . ?
O8 Ag4 Ag2 75.41(15) . . ?
Ag6 Ag4 Ag2 111.11(3) . . ?
Ag3 Ag4 Ag2 102.54(3) . . ?
Ag1 Ag4 Ag2 58.01(2) . . ?
O10 Ag4 Ag3 135.1(2) . 2_655 ?
O6 Ag4 Ag3 76.57(18) . 2_655 ?
C1 Ag4 Ag3 61.3(2) . 2_655 ?
O8 Ag4 Ag3 133.90(15) . 2_655 ?
Ag6 Ag4 Ag3 55.34(2) . 2_655 ?
Ag3 Ag4 Ag3 89.66(3) . 2_655 ?
Ag1 Ag4 Ag3 99.29(3) . 2_655 ?
Ag2 Ag4 Ag3 59.48(2) . 2_655 ?
O12 Ag5 O12 120.2(5) . 2_655 ?
O12 Ag5 O4 80.7(3) . 2_655 ?
O12 Ag5 O4 79.8(3) 2_655 2_655 ?
O12 Ag5 O4 79.8(3) . . ?
O12 Ag5 O4 80.7(3) 2_655 . ?
O4 Ag5 O4 140.3(4) 2_655 . ?
O12 Ag5 Ag1 87.1(2) . 2_655 ?
O12 Ag5 Ag1 136.3(2) 2_655 2_655 ?
O4 Ag5 Ag1 71.31(19) 2_655 2_655 ?
O4 Ag5 Ag1 141.2(2) . 2_655 ?
O12 Ag5 Ag1 136.3(2) . . ?
O12 Ag5 Ag1 87.1(2) 2_655 . ?
O4 Ag5 Ag1 141.2(2) 2_655 . ?
O4 Ag5 Ag1 71.31(19) . . ?
Ag1 Ag5 Ag1 95.20(4) 2_655 . ?
O12 Ag5 Ag2 148.5(2) . 2_655 ?
O12 Ag5 Ag2 79.8(2) 2_655 2_655 ?
O4 Ag5 Ag2 79.5(2) 2_655 2_655 ?
O4 Ag5 Ag2 130.05(19) . 2_655 ?
Ag1 Ag5 Ag2 63.41(3) 2_655 2_655 ?
Ag1 Ag5 Ag2 62.20(3) . 2_655 ?
O12 Ag5 Ag2 79.8(2) . . ?
O12 Ag5 Ag2 148.5(2) 2_655 . ?
O4 Ag5 Ag2 130.05(19) 2_655 . ?
O4 Ag5 Ag2 79.5(2) . . ?
Ag1 Ag5 Ag2 62.20(3) 2_655 . ?
Ag1 Ag5 Ag2 63.41(3) . . ?
Ag2 Ag5 Ag2 94.68(4) 2_655 . ?
O9 Ag6 O9 117.1(4) 2_655 . ?
O9 Ag6 O2 82.1(3) 2_655 2_655 ?
O9 Ag6 O2 78.9(3) . 2_655 ?
O9 Ag6 O2 78.9(3) 2_655 . ?
O9 Ag6 O2 82.1(3) . . ?
O2 Ag6 O2 143.3(4) 2_655 . ?
O9 Ag6 Ag3 138.7(2) 2_655 . ?
O9 Ag6 Ag3 85.8(2) . . ?
O2 Ag6 Ag3 68.51(18) 2_655 . ?
O2 Ag6 Ag3 140.9(2) . . ?
O9 Ag6 Ag3 85.8(2) 2_655 2_655 ?
O9 Ag6 Ag3 138.7(2) . 2_655 ?
O2 Ag6 Ag3 140.9(2) 2_655 2_655 ?
O2 Ag6 Ag3 68.51(18) . 2_655 ?
Ag3 Ag6 Ag3 98.80(4) . 2_655 ?
O9 Ag6 Ag4 151.5(2) 2_655 . ?
O9 Ag6 Ag4 78.7(2) . . ?
O2 Ag6 Ag4 125.66(17) 2_655 . ?
O2 Ag6 Ag4 80.2(2) . . ?
Ag3 Ag6 Ag4 61.00(3) . . ?
Ag3 Ag6 Ag4 68.43(3) 2_655 . ?
O9 Ag6 Ag4 78.7(2) 2_655 2_655 ?
O9 Ag6 Ag4 151.5(2) . 2_655 ?
O2 Ag6 Ag4 80.2(2) 2_655 2_655 ?
O2 Ag6 Ag4 125.66(17) . 2_655 ?
Ag3 Ag6 Ag4 68.43(3) . 2_655 ?
Ag3 Ag6 Ag4 61.00(3) 2_655 2_655 ?
Ag4 Ag6 Ag4 98.16(5) . 2_655 ?
C1 C1 Ag3 135.4(9) 2_655 . ?
C1 C1 Ag1 132.9(8) 2_655 . ?
Ag3 C1 Ag1 91.6(3) . . ?
C1 C1 Ag4 101.2(13) 2_655 . ?
Ag3 C1 Ag4 80.7(4) . . ?
Ag1 C1 Ag4 85.9(4) . . ?
C1 C1 Ag2 96.1(12) 2_655 2_655 ?
Ag3 C1 Ag2 88.1(4) . 2_655 ?
Ag1 C1 Ag2 81.1(4) . 2_655 ?
Ag4 C1 Ag2 162.6(4) . 2_655 ?
C2 O1 Ag3 115.5(6) . 2_655 ?
C2 O2 Ag6 119.1(7) . . ?
O2 C2 O1 127.8(10) . . ?
O2 C2 C3 118.8(11) . . ?
O1 C2 C3 113.4(10) . . ?
F12 C3 F13 104.8(14) . . ?
F12 C3 F11 103.5(15) . . ?
F13 C3 F11 100.7(13) . . ?
F12 C3 C2 118.5(12) . . ?
F13 C3 C2 115.6(13) . . ?
F11 C3 C2 111.7(12) . . ?
C4 O3 Ag1 116.9(7) . . ?
C4 O4 Ag5 115.3(8) . . ?
O4 C4 O3 131.4(10) . . ?
O4 C4 C5 118.2(11) . . ?
O3 C4 C5 110.5(10) . . ?
F22' C5 F21 120(2) . . ?
F22' C5 F21' 106.1(11) . . ?
F21 C5 F21' 47.7(12) . . ?
F22' C5 F23 52.6(12) . . ?
F21 C5 F23 106.4(11) . . ?
F21' C5 F23 137.3(19) . . ?
F22' C5 F23' 104.7(11) . . ?
F21 C5 F23' 58.9(12) . . ?
F21' C5 F23' 106.3(11) . . ?
F23 C5 F23' 57.4(12) . . ?
F22' C5 F22 51.3(12) . . ?
F21 C5 F22 106.1(11) . . ?
F21' C5 F22 64.7(12) . . ?
F23 C5 F22 103.8(11) . . ?
F23' C5 F22 143.7(17) . . ?
F22' C5 C4 123.8(15) . . ?
F21 C5 C4 115.6(14) . . ?
F21' C5 C4 106.9(14) . . ?
F23 C5 C4 115.6(15) . . ?
F23' C5 C4 107.8(13) . . ?
F22 C5 C4 108.4(13) . . ?
C6 O6 Ag4 127.3(6) . . ?
C6 O5 Ag2 119.9(6) . . ?
O5 C6 O6 127.5(8) . . ?
O5 C6 C7 117.7(8) . . ?
O6 C6 C7 114.8(8) . . ?
F33 C7 F32 110.5(12) . . ?
F33 C7 F31 104.5(12) . . ?
F32 C7 F31 101.6(11) . . ?
F33 C7 C6 115.9(9) . . ?
F32 C7 C6 111.7(11) . . ?
F31 C7 C6 111.3(10) . . ?
C8 O7 Ag2 127.3(6) . . ?
C8 O8 Ag4 118.3(6) . . ?
O7 C8 O8 128.9(9) . . ?
O7 C8 C9 113.2(9) . . ?
O8 C8 C9 117.9(10) . . ?
F41 C9 F43 114.1(12) . . ?
F41 C9 F42 99.2(13) . . ?
F43 C9 F42 98.5(13) . . ?
F41 C9 C8 117.5(12) . . ?
F43 C9 C8 114.7(11) . . ?
F42 C9 C8 109.5(12) . . ?
C10 O9 Ag6 125.4(7) . . ?
C10 O10 Ag4 121.9(7) . . ?
O9 C10 O10 128.8(9) . . ?
O9 C10 C11 115.7(10) . . ?
O10 C10 C11 115.4(10) . . ?
F53 C11 F52 107.7(10) . . ?
F53 C11 F51 107.1(10) . . ?
F52 C11 F51 104.5(10) . . ?
F53 C11 C10 112.1(9) . . ?
F52 C11 C10 113.5(10) . . ?
F51 C11 C10 111.5(9) . . ?
C12 O11 Ag2 123.6(7) . . ?
C12 O12 Ag5 124.9(7) . . ?
O11 C12 O12 129.5(10) . . ?
O11 C12 C13 118.1(11) . . ?
O12 C12 C13 112.4(11) . . ?
F63 C13 F61 106.4(11) . . ?
F63 C13 F62 104.0(11) . . ?
F61 C13 F62 108.9(11) . . ?
F63 C13 C12 113.1(10) . . ?
F61 C13 C12 109.9(10) . . ?
F62 C13 C12 114.1(11) . . ?
C22 N1 C14 124.1(17) . . ?
C15 C14 N1 111(2) . . ?
C14 C15 C16 129.2(19) . . ?
O13 C16 C17 133.6(19) . . ?
O13 C16 C15 121.7(16) . . ?
C17 C16 C15 104.7(15) . . ?
C16 C17 C22 133.1(18) . . ?
C16 C17 C18 109.2(15) . . ?
C22 C17 C18 117.6(12) . . ?
C19 C18 C17 112.3(13) . . ?
C18 C19 C20 118(2) . . ?
C21 C20 C19 135(3) . . ?
C20 C21 C22 110(2) . . ?
C17 C22 C21 126.9(15) . . ?
C17 C22 N1 117.5(13) . . ?
C21 C22 N1 115.5(15) . . ?
C16 O13 Ag1 129.7(9) . . ?
C16 O13 Ag3 147.3(9) . . ?
Ag1 O13 Ag3 81.4(2) . . ?
C23 N2 C31 122.8(10) . . ?
C24 C23 N2 118.5(12) . . ?
C23 C24 C25 123.0(13) . . ?
O14 C25 C24 123.0(11) . . ?
O14 C25 C26 119.7(10) . . ?
C24 C25 C26 117.3(10) . . ?
C27 C26 C31 119.3(10) . . ?
C27 C26 C25 121.1(10) . . ?
C31 C26 C25 119.6(10) . . ?
C26 C27 C28 117.4(12) . . ?
C29 C28 C27 120.7(14) . . ?
C30 C29 C28 121.3(14) . . ?
C29 C30 C31 119.6(14) . . ?
N2 C31 C30 119.5(12) . . ?
N2 C31 C26 118.8(10) . . ?
C30 C31 C26 121.7(12) . . ?
N3 C32 C33 122.1(10) . . ?
C32 C33 C34 118.4(10) . . ?
O15 C34 C33 122.4(10) . . ?
O15 C34 C35 118.4(10) . . ?
C33 C34 C35 119.2(9) . . ?
C40 C35 C36 119.2(10) . . ?
C40 C35 C34 118.9(10) . . ?
C36 C35 C34 121.8(10) . . ?
C37 C36 C35 118.3(12) . . ?
C36 C37 C38 120.5(14) . . ?
C39 C38 C37 122.1(13) . . ?
C38 C39 C40 119.1(12) . . ?
N3 C40 C39 121.0(10) . . ?
N3 C40 C35 118.4(10) . . ?
C39 C40 C35 120.6(11) . . ?
C32 N3 C40 123.0(9) . . ?
C41 N4 C49 123.4(10) . . ?
N4 C41 C42 119.8(11) . . ?
C41 C42 C43 120.7(11) . . ?
O16 C43 C42 121.6(11) . . ?
O16 C43 C44 121.6(11) . . ?
C42 C43 C44 116.7(11) . . ?
C45 C44 C49 118.0(11) . . ?
C45 C44 C43 122.2(11) . . ?
C49 C44 C43 119.8(11) . . ?
C46 C45 C44 120.6(14) . . ?
C45 C46 C47 119.4(15) . . ?
C48 C47 C46 123.0(14) . . ?
C47 C48 C49 118.8(12) . . ?
N4 C49 C48 120.6(11) . . ?
N4 C49 C44 119.4(10) . . ?
C48 C49 C44 120.0(11) . . ?
N5 C50 C51 120.2(11) . . ?
C50 C51 C52 123.2(11) . . ?
O17 C52 C51 124.2(10) . . ?
O17 C52 C53 118.9(10) . . ?
C51 C52 C53 116.8(9) . . ?
C54 C53 C58 118.4(10) . . ?
C54 C53 C52 123.2(10) . . ?
C58 C53 C52 118.3(10) . . ?
C55 C54 C53 120.9(11) . . ?
C54 C55 C56 121.0(12) . . ?
C57 C56 C55 121.9(13) . . ?
C56 C57 C58 118.8(12) . . ?
N5 C58 C53 121.0(9) . . ?
N5 C58 C57 120.2(10) . . ?
C53 C58 C57 118.9(11) . . ?
C50 N5 C58 120.5(9) . . ?
O5W O4W O5W 165(6) . 2_655 ?
O8W O5W O4W 141(5) . . ?
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 O3 2.157(7) . ?
Ag1 C1 2.188(10) . ?
Ag1 O13 2.372(7) . ?
Ag1 Ag5 2.9107(10) . ?
Ag1 Ag2 3.0305(11) 2_655 ?
Ag1 Ag2 3.0835(11) . ?
Ag1 Ag3 3.1357(10) . ?
Ag1 Ag4 3.1508(11) . ?
Ag2 O11 2.298(7) . ?
Ag2 O7 2.359(6) . ?
Ag2 C1 2.464(13) 2_655 ?
Ag2 O5 2.514(6) . ?
Ag2 Ag5 2.9558(11) . ?
Ag2 Ag1 3.0305(11) 2_655 ?
Ag2 Ag4 3.2079(10) . ?
Ag2 Ag3 3.2378(11) 2_655 ?
Ag3 O1 2.164(7) 2_655 ?
Ag3 C1 2.186(10) . ?
Ag3 O13 2.437(7) . ?
Ag3 Ag6 2.9331(11) . ?
Ag3 Ag4 2.9932(11) . ?
Ag3 Ag2 3.2378(11) 2_655 ?
Ag3 Ag4 3.3161(11) 2_655 ?
Ag4 O10 2.303(7) . ?
Ag4 O6 2.315(7) . ?
Ag4 C1 2.428(13) . ?
Ag4 O8 2.527(7) . ?
Ag4 Ag6 2.9643(11) . ?
Ag4 Ag3 3.3161(11) 2_655 ?
Ag5 O12 2.298(8) . ?
Ag5 O12 2.298(8) 2_655 ?
Ag5 O4 2.537(8) 2_655 ?
Ag5 O4 2.537(8) . ?
Ag5 Ag1 2.9107(10) 2_655 ?
Ag5 Ag2 2.9558(11) 2_655 ?
Ag6 O9 2.310(7) 2_655 ?
Ag6 O9 2.310(7) . ?
Ag6 O2 2.553(8) 2_655 ?
Ag6 O2 2.553(8) . ?
Ag6 Ag3 2.9331(11) 2_655 ?
Ag6 Ag4 2.9643(11) 2_655 ?
C1 C1 1.053(18) 2_655 ?
C1 Ag2 2.464(13) 2_655 ?
O1 C2 1.264(12) . ?
O1 Ag3 2.164(7) 2_655 ?
O2 C2 1.216(12) . ?
C2 C3 1.524(11) . ?
C3 F12 1.210(15) . ?
C3 F13 1.249(16) . ?
C3 F11 1.256(17) . ?
O3 C4 1.250(13) . ?
O4 C4 1.204(13) . ?
C4 C5 1.516(12) . ?
C5 F22' 1.315(5) . ?
C5 F21 1.317(5) . ?
C5 F21' 1.318(5) . ?
C5 F23 1.319(5) . ?
C5 F23' 1.320(5) . ?
C5 F22 1.321(5) . ?
O6 C6 1.268(10) . ?
O5 C6 1.238(10) . ?
C6 C7 1.526(11) . ?
C7 F33 1.254(12) . ?
C7 F32 1.255(13) . ?
C7 F31 1.322(15) . ?
O7 C8 1.224(11) . ?
O8 C8 1.235(10) . ?
C8 C9 1.492(12) . ?
C9 F41 1.260(14) . ?
C9 F43 1.291(14) . ?
C9 F42 1.328(17) . ?
O9 C10 1.233(12) . ?
O10 C10 1.242(12) . ?
C10 C11 1.539(11) . ?
C11 F53 1.271(13) . ?
C11 F52 1.299(13) . ?
C11 F51 1.330(12) . ?
O11 C12 1.213(12) . ?
O12 C12 1.232(13) . ?
C12 C13 1.530(11) . ?
C13 F63 1.296(13) . ?
C13 F61 1.301(14) . ?
C13 F62 1.307(15) . ?
N1 C22 1.368(16) . ?
N1 C14 1.41(2) . ?
C14 C15 1.33(2) . ?
C15 C16 1.60(2) . ?
C16 O13 1.239(14) . ?
C16 C17 1.278(18) . ?
C17 C22 1.335(17) . ?
C17 C18 1.569(19) . ?
C18 C19 1.344(17) . ?
C19 C20 1.34(2) . ?
C20 C21 1.27(3) . ?
C21 C22 1.34(2) . ?
N2 C23 1.353(15) . ?
N2 C31 1.367(14) . ?
C23 C24 1.347(16) . ?
C24 C25 1.392(16) . ?
C25 O14 1.308(12) . ?
C25 C26 1.407(14) . ?
C26 C27 1.378(14) . ?
C26 C31 1.399(14) . ?
C27 C28 1.404(17) . ?
C28 C29 1.395(19) . ?
C29 C30 1.308(19) . ?
C30 C31 1.370(15) . ?
O15 C34 1.290(11) . ?
C32 N3 1.324(13) . ?
C32 C33 1.369(14) . ?
C33 C34 1.391(14) . ?
C34 C35 1.432(14) . ?
C35 C40 1.403(13) . ?
C35 C36 1.411(15) . ?
C36 C37 1.321(16) . ?
C37 C38 1.425(19) . ?
C38 C39 1.305(18) . ?
C39 C40 1.364(15) . ?
C40 N3 1.348(13) . ?
N4 C41 1.326(14) . ?
N4 C49 1.338(13) . ?
C41 C42 1.407(16) . ?
C42 C43 1.408(16) . ?
C43 O16 1.257(12) . ?
C43 C44 1.426(15) . ?
C44 C45 1.409(16) . ?
C44 C49 1.424(14) . ?
C45 C46 1.315(18) . ?
C46 C47 1.39(2) . ?
C47 C48 1.335(18) . ?
C48 C49 1.364(14) . ?
O17 C52 1.290(11) . ?
C50 N5 1.345(13) . ?
C50 C51 1.350(14) . ?
C51 C52 1.360(14) . ?
C52 C53 1.445(13) . ?
C53 C54 1.380(14) . ?
C53 C58 1.384(13) . ?
C54 C55 1.332(15) . ?
C55 C56 1.341(17) . ?
C56 C57 1.325(16) . ?
C57 C58 1.426(14) . ?
C58 N5 1.361(13) . ?
O2W O2W 1.47(6) 2_655 ?
O4W O5W 1.34(4) . ?
O4W O5W 1.34(4) 2_655 ?
O5W O8W 1.18(5) . ?
O6W O7W 1.81(7) . ?
