#------------------------------------------------------------------------------
#$Date: 2023-03-04 20:15:11 +0200 (Sat, 04 Mar 2023) $
#$Revision: 281433 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/60/7246026.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_7246026
loop_
_publ_author_name
'Chen, Jing-Jing'
'Huang, Chang-Qi'
'Yi, Hong-Mei'
'Lv, Zhou-Lin'
'Wu, Wei'
'Zheng, Hui-Dong'
'Li, Hao-Hong'
_publ_section_title
;
 Tuning the photocurrent responsive and resistive switching performances
 of stilbazolium/iodoargentate hybrids by modulating the aggregation mode
 among chromophores
;
_journal_issue                   4
_journal_name_full               CrystEngComm
_journal_page_first              632
_journal_page_last               640
_journal_paper_doi               10.1039/D2CE01609E
_journal_volume                  25
_journal_year                    2023
_chemical_formula_moiety         'Ag5 I7, 2(C18 H23 N2 O2)'
_chemical_formula_sum            'C36 H46 Ag5 I7 N4 O4'
_chemical_formula_weight         2026.42
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2019-09-07
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2022-10-29 deposited with the CCDC.	2022-12-20 downloaded from the CCDC.
;
_cell_angle_alpha                100.297(2)
_cell_angle_beta                 93.606(2)
_cell_angle_gamma                103.612(2)
_cell_formula_units_Z            2
_cell_length_a                   8.1248(7)
_cell_length_b                   13.8287(12)
_cell_length_c                   22.9897(19)
_cell_measurement_reflns_used    5886
_cell_measurement_temperature    173
_cell_measurement_theta_max      24.986
_cell_measurement_theta_min      2.607
_cell_volume                     2455.1(4)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_diffrn_ambient_temperature      173
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0329
_diffrn_reflns_av_unetI/netI     0.0443
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            19675
_diffrn_reflns_point_group_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25.088
_diffrn_reflns_theta_max         25.088
_diffrn_reflns_theta_min         1.546
_exptl_absorpt_coefficient_mu    6.400
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5931
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.741
_exptl_crystal_description       plate
_exptl_crystal_F_000             1856
_refine_diff_density_max         1.705
_refine_diff_density_min         -1.583
_refine_diff_density_rms         0.194
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     528
_refine_ls_number_reflns         8589
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0561
_refine_ls_R_factor_gt           0.0401
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0516P)²+0.9846P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0902
_refine_ls_wR_factor_ref         0.0967
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6903
_reflns_number_total             8589
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2ce01609e2.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 7246024--7246026.cif.'
_cod_database_code               7246026
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C36) \\sim Ueq: with sigma of 0.04 and sigma for terminal atoms of 0.08
3. Others
 Sof(H35C)=Sof(H35D)=Sof(C37)=Sof(H37A)=Sof(H37B)=Sof(O5)=Sof(H5)=1-FVAR(1)
 Sof(H35A)=Sof(H35B)=Sof(C36)=Sof(H36A)=Sof(H36B)=Sof(O4)=Sof(H4)=FVAR(1)
4.a Secondary CH2 refined with riding coordinates:
 C19(H19A,H19B), C20(H20A,H20B), C35(H35A,H35B), C35(H35C,H35D), C36(H36A,
 H36B), C37(H37A,H37B), C1(H1A,H1B), C2(H2A,H2B), C17(H17A,H17B), C18(H18A,H18B)
4.b Aromatic/amide H refined with riding coordinates:
 C21(H21), C22(H22), C23(H23), C24(H24), C26(H26), C27(H27), C29(H29),
 C30(H30), C32(H32), C33(H33), C3(H3A), C4(H4A), C5(H5A), C6(H6), C8(H8),
 C9(H9), C11(H11), C12(H12), C14(H14), C15(H15)
4.c Tetrahedral OH refined with riding coordinates:
 O3(H3), O4(H4), O1(H1)
4.d Idealised Me refined as rotating group:
 C34(H34A,H34B,H34C), C16(H16A,H16B,H16C)
4.e Idealised tetrahedral OH refined as rotating group:
 O5(H5), O2(H2)
;
_olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems'
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.53233(8) 0.24350(5) 0.27187(3) 0.02817(16) Uani 1 1 d . . . . .
Ag2 Ag 0.17830(8) 0.12175(5) 0.26733(3) 0.03179(17) Uani 1 1 d . . . . .
Ag3 Ag -0.20888(9) 0.12213(5) 0.26855(3) 0.03520(18) Uani 1 1 d . . . . .
Ag4 Ag -0.12536(10) 0.33900(6) 0.23880(4) 0.04118(19) Uani 1 1 d . . . . .
Ag5 Ag 0.25977(9) 0.33816(6) 0.22597(3) 0.04016(19) Uani 1 1 d . . . . .
I1 I 0.44059(7) 0.02984(4) 0.22479(3) 0.02921(14) Uani 1 1 d . . . . .
I2 I 0.30463(6) 0.31390(4) 0.34724(2) 0.02559(13) Uani 1 1 d . . . . .
I3 I 0.55991(9) 0.33342(7) 0.16935(3) 0.0585(2) Uani 1 1 d . . . . .
I4 I -0.06280(7) -0.01955(4) 0.31092(2) 0.02441(13) Uani 1 1 d . . . . .
I5 I -0.17126(7) 0.30565(4) 0.35581(2) 0.03032(14) Uani 1 1 d . . . . .
I6 I -0.01925(7) 0.16425(4) 0.16567(2) 0.02356(13) Uani 1 1 d . . . . .
I7 I 0.11674(8) 0.50035(4) 0.21216(3) 0.03203(15) Uani 1 1 d . . . . .
C19 C 0.9182(13) 1.3452(7) 0.0445(4) 0.040(2) Uani 1 1 d . . . . .
H19A H 0.876850 1.377712 0.080713 0.048 Uiso 1 1 calc R . . . .
H19B H 0.977033 1.295035 0.055653 0.048 Uiso 1 1 calc R . . . .
C20 C 0.7676(12) 1.2909(7) -0.0012(4) 0.034(2) Uani 1 1 d . . . . .
H20A H 0.688682 1.239295 0.015441 0.041 Uiso 1 1 calc R . . . .
H20B H 0.705129 1.340234 -0.011234 0.041 Uiso 1 1 calc R . . . .
C21 C 0.8679(11) 1.2955(6) -0.0979(4) 0.030(2) Uani 1 1 d . . . . .
H21 H 0.850321 1.361938 -0.092734 0.036 Uiso 1 1 calc R . . . .
C22 C 0.9341(11) 1.2589(6) -0.1476(4) 0.031(2) Uani 1 1 d . . . . .
H22 H 0.959701 1.298876 -0.177053 0.037 Uiso 1 1 calc R . . . .
C23 C 0.9636(11) 1.1638(7) -0.1551(4) 0.031(2) Uani 1 1 d . . . . .
H23 H 1.013006 1.137656 -0.188879 0.037 Uiso 1 1 calc R . . . .
C24 C 0.9203(10) 1.1084(6) -0.1130(4) 0.0260(19) Uani 1 1 d . . . . .
H24 H 0.939335 1.042353 -0.118112 0.031 Uiso 1 1 calc R . . . .
C25 C 0.8479(10) 1.1443(6) -0.0615(4) 0.0230(18) Uani 1 1 d . . . . .
C26 C 0.7954(11) 1.0824(7) -0.0186(4) 0.032(2) Uani 1 1 d . . . . .
H26 H 0.781000 1.114870 0.020152 0.038 Uiso 1 1 calc R . . . .
C27 C 0.7660(12) 0.9813(6) -0.0308(4) 0.030(2) Uani 1 1 d . . . . .
H27 H 0.780679 0.952002 -0.070210 0.036 Uiso 1 1 calc R . . . .
C28 C 0.7148(10) 0.9106(6) 0.0081(4) 0.0256(18) Uani 1 1 d . . . . .
C29 C 0.6611(10) 0.9357(7) 0.0647(4) 0.028(2) Uani 1 1 d . . . . .
H29 H 0.650274 1.002702 0.078280 0.034 Uiso 1 1 calc R . . . .
C30 C 0.6241(11) 0.8665(7) 0.1007(4) 0.030(2) Uani 1 1 d . . . . .
H30 H 0.585250 0.886137 0.138052 0.036 Uiso 1 1 calc R . . . .
C31 C 0.6422(10) 0.7671(6) 0.0839(4) 0.0229(18) Uani 1 1 d . . . . .
C32 C 0.6895(11) 0.7406(7) 0.0262(4) 0.030(2) Uani 1 1 d . . . . .
H32 H 0.696924 0.673025 0.012051 0.036 Uiso 1 1 calc R . . . .
C33 C 0.7246(12) 0.8097(6) -0.0095(4) 0.032(2) Uani 1 1 d . . . . .
H33 H 0.757027 0.788947 -0.047782 0.038 Uiso 1 1 calc R . . . .
C34 C 0.5613(15) 0.7334(8) 0.1804(4) 0.052(3) Uani 1 1 d . . . . .
H34A H 0.652574 0.788556 0.203991 0.079 Uiso 1 1 calc GR . . . .
H34B H 0.537892 0.676145 0.200978 0.079 Uiso 1 1 calc GR . . . .
H34C H 0.458061 0.757499 0.175488 0.079 Uiso 1 1 calc GR . . . .
C35 C 0.6363(13) 0.5995(7) 0.1076(4) 0.039(2) Uani 1 1 d . . . . .
H35A H 0.706490 0.587156 0.140948 0.046 Uiso 0.58(3) 1 calc R . P A 1
H35B H 0.699639 0.594300 0.072221 0.046 Uiso 0.58(3) 1 calc R . P A 1
H35C H 0.655673 0.576467 0.145228 0.046 Uiso 0.42(3) 1 calc R . P A 2
H35D H 0.741898 0.603369 0.087876 0.046 Uiso 0.42(3) 1 calc R . P A 2
C36 C 0.469(4) 0.517(2) 0.0946(12) 0.041(6) Uani 0.58(3) 1 d . U P A 1
H36A H 0.492264 0.449418 0.083923 0.050 Uiso 0.58(3) 1 calc R . P A 1
H36B H 0.407258 0.518529 0.130453 0.050 Uiso 0.58(3) 1 calc R . P A 1
C37 C 0.496(5) 0.519(3) 0.0684(14) 0.042(9) Uani 0.42(3) 1 d . . P A 2
H37A H 0.481707 0.536257 0.028832 0.050 Uiso 0.42(3) 1 calc R . P A 2
H37B H 0.527157 0.452774 0.062924 0.050 Uiso 0.42(3) 1 calc R . P A 2
N3 N 0.8269(9) 1.2409(5) -0.0559(3) 0.0248(15) Uani 1 1 d . . . . .
N4 N 0.6135(10) 0.7010(6) 0.1226(3) 0.0360(19) Uani 1 1 d . . . . .
O3 O 1.0346(8) 1.4196(4) 0.0230(3) 0.0353(15) Uani 1 1 d . . . . .
H3 H 1.066709 1.392711 -0.008553 0.053 Uiso 1 1 calc R . . . .
O4 O 0.3667(17) 0.5336(9) 0.0472(6) 0.050(6) Uani 0.58(3) 1 d . . P A 1
H4 H 0.310591 0.477485 0.026839 0.075 Uiso 0.58(3) 1 calc R . P A 1
O5 O 0.345(3) 0.5104(13) 0.0939(8) 0.041(7) Uani 0.42(3) 1 d . . P A 2
H5 H 0.263093 0.483244 0.067560 0.061 Uiso 0.42(3) 1 calc GR . P A 2
C1 C -0.0767(12) 0.8390(7) 0.5321(4) 0.033(2) Uani 1 1 d . . . . .
H1A H -0.178959 0.797404 0.545093 0.039 Uiso 1 1 calc R . . . .
H1B H 0.006556 0.871090 0.567558 0.039 Uiso 1 1 calc R . . . .
C2 C 0.0005(10) 0.7716(6) 0.4884(3) 0.0236(18) Uani 1 1 d . . . . .
H2A H 0.098884 0.814164 0.473892 0.028 Uiso 1 1 calc R . . . .
H2B H 0.043172 0.724050 0.509222 0.028 Uiso 1 1 calc R . . . .
C3 C -0.1337(12) 0.7615(6) 0.3913(4) 0.032(2) Uani 1 1 d . . . . .
H3A H -0.063869 0.828278 0.394650 0.038 Uiso 1 1 calc R . . . .
C4 C -0.2396(14) 0.7191(7) 0.3418(4) 0.041(3) Uani 1 1 d . . . . .
H4A H -0.244670 0.754711 0.310275 0.050 Uiso 1 1 calc R . . . .
C5 C -0.3415(14) 0.6225(7) 0.3373(4) 0.046(3) Uani 1 1 d . . . . .
H5A H -0.418732 0.591111 0.302644 0.056 Uiso 1 1 calc R . . . .
C6 C -0.3310(13) 0.5718(7) 0.3830(4) 0.039(2) Uani 1 1 d . . . . .
H6 H -0.399878 0.504688 0.379333 0.047 Uiso 1 1 calc R . . . .
C7 C -0.2184(11) 0.6181(6) 0.4360(4) 0.0258(19) Uani 1 1 d . . . . .
C8 C -0.2100(11) 0.5647(6) 0.4840(4) 0.0237(18) Uani 1 1 d . . . . .
H8 H -0.133989 0.597667 0.518759 0.028 Uiso 1 1 calc R . . . .
C9 C -0.3037(10) 0.4718(6) 0.4816(4) 0.0241(18) Uani 1 1 d . . . . .
H9 H -0.380637 0.444364 0.446461 0.029 Uiso 1 1 calc R . . . .
C10 C -0.3091(10) 0.4042(6) 0.5237(4) 0.0234(18) Uani 1 1 d . . . . .
C11 C -0.4201(10) 0.3085(6) 0.5072(4) 0.0258(19) Uani 1 1 d . . . . .
H11 H -0.486645 0.290995 0.469590 0.031 Uiso 1 1 calc R . . . .
C12 C -0.4378(10) 0.2375(6) 0.5432(3) 0.0242(18) Uani 1 1 d . . . . .
H12 H -0.513960 0.172445 0.529874 0.029 Uiso 1 1 calc R . . . .
C13 C -0.3442(10) 0.2610(6) 0.5992(4) 0.0221(17) Uani 1 1 d . . . . .
C14 C -0.2294(10) 0.3583(6) 0.6167(4) 0.0268(19) Uani 1 1 d . . . . .
H14 H -0.162787 0.376321 0.654341 0.032 Uiso 1 1 calc R . . . .
C15 C -0.2140(11) 0.4273(6) 0.5791(4) 0.0263(19) Uani 1 1 d . . . . .
H15 H -0.136366 0.492092 0.591476 0.032 Uiso 1 1 calc R . . . .
C16 C -0.2592(13) 0.2177(7) 0.6940(4) 0.040(2) Uani 1 1 d . . . . .
H16A H -0.139194 0.245667 0.689489 0.059 Uiso 1 1 calc GR . . . .
H16B H -0.270466 0.156067 0.710451 0.059 Uiso 1 1 calc GR . . . .
H16C H -0.300337 0.267938 0.720941 0.059 Uiso 1 1 calc GR . . . .
C17 C -0.4868(11) 0.0965(6) 0.6240(4) 0.0259(19) Uani 1 1 d . . . . .
H17A H -0.579371 0.100177 0.594991 0.031 Uiso 1 1 calc R . . . .
H17B H -0.536845 0.086120 0.661285 0.031 Uiso 1 1 calc R . . . .
C18 C -0.4212(12) 0.0060(6) 0.6002(4) 0.031(2) Uani 1 1 d . . . . .
H18A H -0.324479 0.003394 0.627736 0.038 Uiso 1 1 calc R . . . .
H18B H -0.512284 -0.056876 0.597419 0.038 Uiso 1 1 calc R . . . .
N1 N -0.1222(9) 0.7128(5) 0.4371(3) 0.0247(16) Uani 1 1 d . . . . .
N2 N -0.3597(10) 0.1929(5) 0.6361(3) 0.0308(17) Uani 1 1 d . . . . .
O1 O -0.1225(8) 0.9155(5) 0.5057(3) 0.0370(15) Uani 1 1 d . . . . .
H1 H -0.176568 0.889209 0.472068 0.056 Uiso 1 1 calc R . . . .
O2 O -0.3662(9) 0.0117(5) 0.5422(3) 0.0398(16) Uani 1 1 d . . . . .
H2 H -0.282550 -0.013900 0.538059 0.060 Uiso 1 1 calc GR . . . .
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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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'
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
Ag2 Ag1 Ag3 113.92(3) . 1_655 ?
Ag2 Ag1 Ag4 163.28(3) . 1_655 ?
Ag2 Ag1 Ag5 65.16(2) . . ?
Ag3 Ag1 Ag4 63.07(2) 1_655 1_655 ?
Ag3 Ag1 Ag5 158.71(3) 1_655 . ?
Ag4 Ag1 Ag5 111.15(3) 1_655 . ?
I1 Ag1 Ag2 58.99(2) . . ?
I1 Ag1 Ag3 58.78(2) . 1_655 ?
I1 Ag1 Ag4 110.38(3) . 1_655 ?
I1 Ag1 Ag5 109.36(3) . . ?
I2 Ag1 Ag2 59.35(2) . . ?
I2 Ag1 Ag3 141.17(3) . 1_655 ?
I2 Ag1 Ag4 134.20(3) . 1_655 ?
I2 Ag1 Ag5 58.46(2) . . ?
I2 Ag1 I1 115.06(3) . . ?
I2 Ag1 I3 112.35(3) . . ?
I2 Ag1 I5 97.79(3) . 1_655 ?
I3 Ag1 Ag2 108.48(3) . . ?
I3 Ag1 Ag3 105.98(3) . 1_655 ?
I3 Ag1 Ag4 59.57(2) . 1_655 ?
I3 Ag1 Ag5 57.52(2) . . ?
I3 Ag1 I1 104.31(3) . . ?
I5 Ag1 Ag2 136.21(3) 1_655 . ?
I5 Ag1 Ag3 59.19(2) 1_655 1_655 ?
I5 Ag1 Ag4 58.17(2) 1_655 1_655 ?
I5 Ag1 Ag5 137.48(3) 1_655 . ?
I5 Ag1 I1 112.82(3) 1_655 . ?
I5 Ag1 I3 114.96(3) 1_655 . ?
Ag1 Ag2 Ag3 146.77(3) . . ?
Ag1 Ag2 Ag5 58.80(2) . . ?
Ag1 Ag2 I6 106.57(3) . . ?
Ag3 Ag2 Ag5 90.46(3) . . ?
I1 Ag2 Ag1 58.82(2) . . ?
I1 Ag2 Ag3 150.77(3) . . ?
I1 Ag2 Ag5 104.31(3) . . ?
I1 Ag2 I2 113.79(3) . . ?
I1 Ag2 I6 109.69(3) . . ?
I2 Ag2 Ag1 58.17(2) . . ?
I2 Ag2 Ag3 95.41(3) . . ?
I2 Ag2 Ag5 55.89(2) . . ?
I2 Ag2 I6 105.39(3) . . ?
I4 Ag2 Ag1 150.03(3) . . ?
I4 Ag2 Ag3 55.79(2) . . ?
I4 Ag2 Ag5 145.42(3) . . ?
I4 Ag2 I1 109.31(3) . . ?
I4 Ag2 I2 114.62(3) . . ?
I4 Ag2 I6 103.37(3) . . ?
I6 Ag2 Ag3 58.00(2) . . ?
I6 Ag2 Ag5 56.51(2) . . ?
Ag1 Ag3 Ag2 147.13(3) 1_455 . ?
Ag1 Ag3 Ag4 58.66(2) 1_455 . ?
Ag4 Ag3 Ag2 89.60(3) . . ?
I1 Ag3 Ag1 58.51(2) 1_455 1_455 ?
I1 Ag3 Ag2 149.71(3) 1_455 . ?
I1 Ag3 Ag4 106.57(3) 1_455 . ?
I1 Ag3 I5 111.61(3) 1_455 . ?
I1 Ag3 I6 108.18(3) 1_455 . ?
I4 Ag3 Ag1 150.98(3) . 1_455 ?
I4 Ag3 Ag2 55.67(2) . . ?
I4 Ag3 Ag4 143.38(3) . . ?
I4 Ag3 I1 109.65(3) . 1_455 ?
I4 Ag3 I5 112.86(3) . . ?
I4 Ag3 I6 103.32(3) . . ?
I5 Ag3 Ag1 58.12(2) . 1_455 ?
I5 Ag3 Ag2 98.68(3) . . ?
I5 Ag3 Ag4 56.33(2) . . ?
I5 Ag3 I6 110.82(3) . . ?
I6 Ag3 Ag1 105.60(3) . 1_455 ?
I6 Ag3 Ag2 58.06(2) . . ?
I6 Ag3 Ag4 59.33(2) . . ?
Ag1 Ag4 Ag3 58.27(2) 1_455 . ?
Ag1 Ag4 Ag5 150.21(3) 1_455 . ?
Ag1 Ag4 I6 104.10(3) 1_455 . ?
Ag3 Ag4 Ag5 92.25(3) . . ?
I3 Ag4 Ag1 57.82(2) 1_455 1_455 ?
I3 Ag4 Ag3 101.10(3) 1_455 . ?
I3 Ag4 Ag5 141.75(3) 1_455 . ?
I3 Ag4 I6 100.96(3) 1_455 . ?
I5 Ag4 Ag1 58.37(2) . 1_455 ?
I5 Ag4 Ag3 57.51(2) . . ?
I5 Ag4 Ag5 103.97(3) . . ?
I5 Ag4 I3 113.48(3) . 1_455 ?
I5 Ag4 I6 110.53(3) . . ?
I6 Ag4 Ag3 57.84(2) . . ?
I6 Ag4 Ag5 56.89(2) . . ?
I7 Ag4 Ag1 153.24(4) . 1_455 ?
I7 Ag4 Ag3 148.20(3) . . ?
I7 Ag4 Ag5 55.96(2) . . ?
I7 Ag4 I3 105.14(3) . 1_455 ?
I7 Ag4 I5 124.29(3) . . ?
I7 Ag4 I6 99.24(3) . . ?
Ag1 Ag5 Ag2 56.04(2) . . ?
Ag1 Ag5 Ag4 139.82(3) . . ?
Ag4 Ag5 Ag2 87.37(3) . . ?
I2 Ag5 Ag1 57.00(2) . . ?
I2 Ag5 Ag2 55.59(2) . . ?
I2 Ag5 Ag4 90.10(3) . . ?
I2 Ag5 I6 105.81(3) . . ?
I3 Ag5 Ag1 57.77(2) . . ?
I3 Ag5 Ag2 101.50(3) . . ?
I3 Ag5 Ag4 158.38(3) . . ?
I3 Ag5 I2 111.22(3) . . ?
I3 Ag5 I6 109.29(3) . . ?
I6 Ag5 Ag1 104.87(3) . . ?
I6 Ag5 Ag2 57.29(2) . . ?
I6 Ag5 Ag4 59.09(2) . . ?
I7 Ag5 Ag1 154.57(3) . . ?
I7 Ag5 Ag2 142.38(3) . . ?
I7 Ag5 Ag4 55.32(2) . . ?
I7 Ag5 I2 113.82(3) . . ?
I7 Ag5 I3 115.15(3) . . ?
I7 Ag5 I6 100.47(3) . . ?
Ag1 I1 Ag2 62.19(2) . . ?
Ag1 I1 Ag3 62.71(2) . 1_655 ?
Ag2 I1 Ag3 120.49(3) . 1_655 ?
Ag1 I2 Ag2 62.48(2) . . ?
Ag1 I2 Ag5 64.54(2) . . ?
Ag2 I2 Ag5 68.53(2) . . ?
Ag1 I3 Ag4 62.61(2) . 1_655 ?
Ag5 I3 Ag1 64.72(2) . . ?
Ag5 I3 Ag4 120.13(3) . 1_655 ?
Ag2 I4 Ag3 68.55(2) . . ?
Ag1 I5 Ag3 62.69(2) 1_455 . ?
Ag4 I5 Ag1 63.46(2) . 1_455 ?
Ag4 I5 Ag3 66.16(2) . . ?
Ag2 I6 Ag4 95.00(3) . . ?
Ag3 I6 Ag2 63.94(2) . . ?
Ag3 I6 Ag4 62.83(2) . . ?
Ag5 I6 Ag2 66.21(2) . . ?
Ag5 I6 Ag3 99.90(3) . . ?
Ag5 I6 Ag4 64.02(2) . . ?
Ag4 I7 Ag5 68.72(3) . . ?
H19A C19 H19B 107.9 . . ?
C20 C19 H19A 109.2 . . ?
C20 C19 H19B 109.2 . . ?
O3 C19 H19A 109.2 . . ?
O3 C19 H19B 109.2 . . ?
O3 C19 C20 111.9(8) . . ?
C19 C20 H20A 109.6 . . ?
C19 C20 H20B 109.6 . . ?
H20A C20 H20B 108.2 . . ?
N3 C20 C19 110.1(8) . . ?
N3 C20 H20A 109.6 . . ?
N3 C20 H20B 109.6 . . ?
C22 C21 H21 119.0 . . ?
N3 C21 H21 119.0 . . ?
N3 C21 C22 122.1(8) . . ?
C21 C22 H22 120.2 . . ?
C21 C22 C23 119.6(8) . . ?
C23 C22 H22 120.2 . . ?
C22 C23 H23 120.9 . . ?
C24 C23 C22 118.2(8) . . ?
C24 C23 H23 120.9 . . ?
C23 C24 H24 118.5 . . ?
C23 C24 C25 123.1(8) . . ?
C25 C24 H24 118.5 . . ?
C24 C25 C26 122.2(7) . . ?
N3 C25 C24 115.8(7) . . ?
N3 C25 C26 122.0(8) . . ?
C25 C26 H26 118.6 . . ?
C27 C26 C25 122.8(8) . . ?
C27 C26 H26 118.6 . . ?
C26 C27 H27 115.8 . . ?
C26 C27 C28 128.4(8) . . ?
C28 C27 H27 115.8 . . ?
C29 C28 C27 125.0(8) . . ?
C33 C28 C27 119.1(7) . . ?
C33 C28 C29 115.8(8) . . ?
C28 C29 H29 119.0 . . ?
C30 C29 C28 122.0(8) . . ?
C30 C29 H29 119.0 . . ?
C29 C30 H30 119.1 . . ?
C29 C30 C31 121.7(8) . . ?
C31 C30 H30 119.1 . . ?
C30 C31 C32 116.3(8) . . ?
N4 C31 C30 120.3(7) . . ?
N4 C31 C32 123.4(7) . . ?
C31 C32 H32 119.3 . . ?
C33 C32 C31 121.4(8) . . ?
C33 C32 H32 119.3 . . ?
C28 C33 H33 118.7 . . ?
C32 C33 C28 122.6(8) . . ?
C32 C33 H33 118.7 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
N4 C34 H34A 109.5 . . ?
N4 C34 H34B 109.5 . . ?
N4 C34 H34C 109.5 . . ?
H35A C35 H35B 107.7 . . ?
H35C C35 H35D 107.1 . . ?
C36 C35 H35A 108.9 . . ?
C36 C35 H35B 108.9 . . ?
C37 C35 H35C 107.7 . . ?
C37 C35 H35D 107.7 . . ?
N4 C35 H35A 108.9 . . ?
N4 C35 H35B 108.9 . . ?
N4 C35 H35C 107.7 . . ?
N4 C35 H35D 107.7 . . ?
N4 C35 C36 113.5(13) . . ?
N4 C35 C37 118.4(18) . . ?
C35 C36 H36A 109.7 . . ?
C35 C36 H36B 109.7 . . ?
H36A C36 H36B 108.2 . . ?
O4 C36 C35 109.7(19) . . ?
O4 C36 H36A 109.7 . . ?
O4 C36 H36B 109.7 . . ?
C35 C37 H37A 109.7 . . ?
C35 C37 H37B 109.7 . . ?
H37A C37 H37B 108.2 . . ?
O5 C37 C35 110(2) . . ?
O5 C37 H37A 109.7 . . ?
O5 C37 H37B 109.7 . . ?
C21 N3 C20 117.6(7) . . ?
C21 N3 C25 121.3(7) . . ?
C25 N3 C20 120.9(7) . . ?
C31 N4 C34 119.9(8) . . ?
C31 N4 C35 121.8(7) . . ?
C35 N4 C34 118.3(8) . . ?
C19 O3 H3 109.5 . . ?
C36 O4 H4 109.5 . . ?
C37 O5 H5 109.5 . . ?
H1A C1 H1B 108.1 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 C2 110.8(7) . . ?
C1 C2 H2A 109.1 . . ?
C1 C2 H2B 109.1 . . ?
H2A C2 H2B 107.8 . . ?
N1 C2 C1 112.7(7) . . ?
N1 C2 H2A 109.1 . . ?
N1 C2 H2B 109.1 . . ?
C4 C3 H3A 118.8 . . ?
C4 C3 N1 122.4(8) . . ?
N1 C3 H3A 118.8 . . ?
C3 C4 H4A 120.7 . . ?
C3 C4 C5 118.6(9) . . ?
C5 C4 H4A 120.7 . . ?
C4 C5 H5A 120.1 . . ?
C6 C5 C4 119.8(9) . . ?
C6 C5 H5A 120.1 . . ?
C5 C6 H6 119.5 . . ?
C5 C6 C7 121.1(8) . . ?
C7 C6 H6 119.5 . . ?
C6 C7 C8 120.6(8) . . ?
N1 C7 C6 115.7(8) . . ?
N1 C7 C8 123.7(7) . . ?
C7 C8 H8 118.7 . . ?
C9 C8 C7 122.6(8) . . ?
C9 C8 H8 118.7 . . ?
C8 C9 H9 114.5 . . ?
C8 C9 C10 130.9(8) . . ?
C10 C9 H9 114.5 . . ?
C11 C10 C9 117.0(7) . . ?
C11 C10 C15 117.1(7) . . ?
C15 C10 C9 125.9(7) . . ?
C10 C11 H11 118.7 . . ?
C12 C11 C10 122.6(8) . . ?
C12 C11 H11 118.7 . . ?
C11 C12 H12 119.8 . . ?
C11 C12 C13 120.4(7) . . ?
C13 C12 H12 119.8 . . ?
C12 C13 C14 117.8(7) . . ?
N2 C13 C12 121.8(7) . . ?
N2 C13 C14 120.4(7) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 C13 120.2(8) . . ?
C15 C14 H14 119.9 . . ?
C10 C15 H15 119.1 . . ?
C14 C15 C10 121.9(8) . . ?
C14 C15 H15 119.1 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N2 C16 H16A 109.5 . . ?
N2 C16 H16B 109.5 . . ?
N2 C16 H16C 109.5 . . ?
H17A C17 H17B 107.5 . . ?
C18 C17 H17A 108.6 . . ?
C18 C17 H17B 108.6 . . ?
N2 C17 H17A 108.6 . . ?
N2 C17 H17B 108.6 . . ?
N2 C17 C18 114.8(7) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 108.1 . . ?
O2 C18 C17 110.6(7) . . ?
O2 C18 H18A 109.5 . . ?
O2 C18 H18B 109.5 . . ?
C3 N1 C2 114.9(7) . . ?
C7 N1 C2 122.7(7) . . ?
C7 N1 C3 122.3(7) . . ?
C13 N2 C16 121.2(7) . . ?
C13 N2 C17 123.4(7) . . ?
C17 N2 C16 115.0(7) . . ?
C1 O1 H1 109.5 . . ?
C18 O2 H2 109.5 . . ?
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 Ag2 2.9563(9) . ?
Ag1 Ag3 2.9799(10) 1_655 ?
Ag1 Ag4 2.9922(10) 1_655 ?
Ag1 Ag5 3.0488(10) . ?
Ag1 I1 2.8593(9) . ?
Ag1 I2 2.8320(8) . ?
Ag1 I3 2.8521(10) . ?
Ag1 I5 2.8480(9) 1_655 ?
Ag2 Ag3 3.1488(10) . ?
Ag2 Ag5 3.2346(10) . ?
Ag2 I1 2.8646(9) . ?
Ag2 I2 2.8676(9) . ?
Ag2 I4 2.7937(8) . ?
Ag2 I6 2.9744(9) . ?
Ag3 Ag4 3.1235(10) . ?
Ag3 I1 2.8673(9) 1_455 ?
Ag3 I4 2.7978(9) . ?
Ag3 I5 2.8803(9) . ?
Ag3 I6 2.9724(9) . ?
Ag4 Ag5 3.1639(11) . ?
Ag4 I3 2.9058(11) 1_455 ?
Ag4 I5 2.8419(10) . ?
Ag4 I6 3.0200(9) . ?
Ag4 I7 2.7923(9) . ?
Ag5 I2 2.8779(10) . ?
Ag5 I3 2.8442(10) . ?
Ag5 I6 2.9482(9) . ?
Ag5 I7 2.8136(10) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.513(13) . ?
C19 O3 1.407(11) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 N3 1.488(11) . ?
C21 H21 0.9500 . ?
C21 C22 1.361(12) . ?
C21 N3 1.341(11) . ?
C22 H22 0.9500 . ?
C22 C23 1.376(12) . ?
C23 H23 0.9500 . ?
C23 C24 1.352(12) . ?
C24 H24 0.9500 . ?
C24 C25 1.417(11) . ?
C25 C26 1.439(12) . ?
C25 N3 1.370(10) . ?
C26 H26 0.9500 . ?
C26 C27 1.336(12) . ?
C27 H27 0.9500 . ?
C27 C28 1.449(12) . ?
C28 C29 1.410(12) . ?
C28 C33 1.403(12) . ?
C29 H29 0.9500 . ?
C29 C30 1.367(12) . ?
C30 H30 0.9500 . ?
C30 C31 1.404(12) . ?
C31 C32 1.413(12) . ?
C31 N4 1.378(11) . ?
C32 H32 0.9500 . ?
C32 C33 1.360(12) . ?
C33 H33 0.9500 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C34 N4 1.449(12) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C35 H35C 0.9900 . ?
C35 H35D 0.9900 . ?
C35 C36 1.53(3) . ?
C35 C37 1.51(4) . ?
C35 N4 1.442(12) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C36 O4 1.41(3) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C37 O5 1.38(5) . ?
O3 H3 0.8400 . ?
O4 H4 0.8400 . ?
O5 H5 0.8400 . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 C2 1.513(12) . ?
C1 O1 1.417(10) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 N1 1.474(10) . ?
C3 H3A 0.9500 . ?
C3 C4 1.335(12) . ?
C3 N1 1.357(11) . ?
C4 H4A 0.9500 . ?
C4 C5 1.378(13) . ?
C5 H5A 0.9500 . ?
C5 C6 1.373(13) . ?
C6 H6 0.9500 . ?
C6 C7 1.427(12) . ?
C7 C8 1.440(11) . ?
C7 N1 1.352(10) . ?
C8 H8 0.9500 . ?
C8 C9 1.321(11) . ?
C9 H9 0.9500 . ?
C9 C10 1.456(11) . ?
C10 C11 1.388(11) . ?
C10 C15 1.391(12) . ?
C11 H11 0.9500 . ?
C11 C12 1.382(11) . ?
C12 H12 0.9500 . ?
C12 C13 1.397(11) . ?
C13 C14 1.418(11) . ?
C13 N2 1.364(10) . ?
C14 H14 0.9500 . ?
C14 C15 1.389(12) . ?
C15 H15 0.9500 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C16 N2 1.458(11) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C18 1.502(12) . ?
C17 N2 1.450(10) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 O2 1.441(11) . ?
O1 H1 0.8400 . ?
O2 H2 0.8400 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C20 H20B O4 0.99 2.24 3.196(16) 162.9 2_675 yes
C21 H21 O5 0.95 2.64 3.51(2) 152.5 2_675 yes
C22 H22 I7 0.95 3.21 3.973(9) 138.8 2_675 yes
C24 H24 I6 0.95 3.10 4.031(8) 166.0 2_665 yes
C30 H30 I1 0.95 3.05 3.909(9) 151.7 1_565 yes
C36 H36A I3 0.99 2.85 3.50(3) 123.6 . yes
C36 H36B I7 0.99 3.10 4.05(3) 161.7 . yes
C37 H37B I3 0.99 3.22 3.85(4) 123.2 . yes
O3 H3 N3 0.84 2.53 2.880(9) 106.6 . yes
O4 H4 O3 0.84 2.19 2.751(14) 124.5 1_445 yes
O5 H5 O3 0.84 1.99 2.81(2) 165.4 1_445 yes
C1 H1A I2 0.99 3.24 4.063(9) 141.9 2_566 yes
C1 H1B I4 0.99 3.09 3.934(8) 143.5 2_566 yes
C3 H3A I4 0.95 3.09 3.772(9) 129.6 1_565 yes
C4 H4A I4 0.95 3.12 3.773(9) 127.3 1_565 yes
C6 H6 I2 0.95 3.06 3.979(9) 163.0 1_455 yes
C14 H14 I7 0.95 3.19 4.011(8) 146.2 2_566 yes
C16 H16B I1 0.98 3.27 4.199(9) 158.9 2_556 yes
C16 H16C I7 0.98 3.25 3.969(9) 131.7 2_566 yes
C17 H17B I4 0.99 3.30 4.023(8) 131.2 2_456 yes
C18 H18A I4 0.99 3.31 4.264(9) 163.1 2_556 yes
O1 H1 N1 0.84 2.58 2.961(9) 109.1 . yes
O2 H2 O1 0.84 1.91 2.728(9) 163.5 1_545 yes
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C19 C20 N3 C21 -88.4(10) . . . . ?
C19 C20 N3 C25 88.0(9) . . . . ?
C21 C22 C23 C24 2.0(13) . . . . ?
C22 C21 N3 C20 175.6(8) . . . . ?
C22 C21 N3 C25 -0.7(13) . . . . ?
C22 C23 C24 C25 -0.7(13) . . . . ?
C23 C24 C25 C26 177.0(8) . . . . ?
C23 C24 C25 N3 -1.3(12) . . . . ?
C24 C25 C26 C27 -19.1(14) . . . . ?
C24 C25 N3 C20 -174.2(7) . . . . ?
C24 C25 N3 C21 2.0(11) . . . . ?
C25 C26 C27 C28 179.3(8) . . . . ?
C26 C25 N3 C20 7.5(12) . . . . ?
C26 C25 N3 C21 -176.3(8) . . . . ?
C26 C27 C28 C29 10.2(15) . . . . ?
C26 C27 C28 C33 -166.9(9) . . . . ?
C27 C28 C29 C30 -176.0(8) . . . . ?
C27 C28 C33 C32 175.6(9) . . . . ?
C28 C29 C30 C31 1.8(13) . . . . ?
C29 C28 C33 C32 -1.8(13) . . . . ?
C29 C30 C31 C32 -4.1(12) . . . . ?
C29 C30 C31 N4 176.2(8) . . . . ?
C30 C31 C32 C33 3.5(12) . . . . ?
C30 C31 N4 C34 1.2(13) . . . . ?
C30 C31 N4 C35 -177.9(8) . . . . ?
C31 C32 C33 C28 -0.6(14) . . . . ?
C32 C31 N4 C34 -178.5(8) . . . . ?
C32 C31 N4 C35 2.4(13) . . . . ?
C33 C28 C29 C30 1.2(12) . . . . ?
C36 C35 N4 C31 -107.7(14) . . . . ?
C36 C35 N4 C34 73.2(15) . . . . ?
C37 C35 N4 C31 -80.4(18) . . . . ?
C37 C35 N4 C34 100.5(18) . . . . ?
N3 C21 C22 C23 -1.4(13) . . . . ?
N3 C25 C26 C27 159.2(9) . . . . ?
N4 C31 C32 C33 -176.8(8) . . . . ?
N4 C35 C36 O4 58(2) . . . . ?
N4 C35 C37 O5 -57(3) . . . . ?
O3 C19 C20 N3 59.3(10) . . . . ?
C1 C2 N1 C3 86.5(9) . . . . ?
C1 C2 N1 C7 -92.4(9) . . . . ?
C3 C4 C5 C6 -0.7(17) . . . . ?
C4 C3 N1 C2 -179.5(9) . . . . ?
C4 C3 N1 C7 -0.6(14) . . . . ?
C4 C5 C6 C7 1.3(17) . . . . ?
C5 C6 C7 C8 179.2(9) . . . . ?
C5 C6 C7 N1 -1.4(14) . . . . ?
C6 C7 C8 C9 0.2(13) . . . . ?
C6 C7 N1 C2 179.9(8) . . . . ?
C6 C7 N1 C3 1.1(12) . . . . ?
C7 C8 C9 C10 177.3(8) . . . . ?
C8 C7 N1 C2 -0.7(12) . . . . ?
C8 C7 N1 C3 -179.6(8) . . . . ?
C8 C9 C10 C11 -178.2(9) . . . . ?
C8 C9 C10 C15 2.3(14) . . . . ?
C9 C10 C11 C12 -179.7(8) . . . . ?
C9 C10 C15 C14 179.1(8) . . . . ?
C10 C11 C12 C13 1.1(13) . . . . ?
C11 C10 C15 C14 -0.4(12) . . . . ?
C11 C12 C13 C14 -1.3(12) . . . . ?
C11 C12 C13 N2 179.5(8) . . . . ?
C12 C13 C14 C15 0.8(12) . . . . ?
C12 C13 N2 C16 178.9(8) . . . . ?
C12 C13 N2 C17 -7.6(12) . . . . ?
C13 C14 C15 C10 0.1(12) . . . . ?
C14 C13 N2 C16 -0.2(12) . . . . ?
C14 C13 N2 C17 173.2(8) . . . . ?
C15 C10 C11 C12 -0.2(13) . . . . ?
C18 C17 N2 C13 101.8(9) . . . . ?
C18 C17 N2 C16 -84.4(9) . . . . ?
N1 C3 C4 C5 0.4(16) . . . . ?
N1 C7 C8 C9 -179.2(8) . . . . ?
N2 C13 C14 C15 180.0(8) . . . . ?
N2 C17 C18 O2 -65.4(9) . . . . ?
O1 C1 C2 N1 -65.2(9) . . . . ?
