#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/58/4085805.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_4085805
loop_
_publ_author_name
'Wagner, Thomas'
'Pöthig, Alexander'
'Augenstein, Hannah M. S.'
'Schmidt, Tobias D.'
'Kaposi, Marlene'
'Herdtweck, Eberhard'
'Brütting, Wolfgang'
'Herrmann, Wolfgang A.'
'Kühn, Fritz E.'
_publ_section_title
;
 From Simple Ligands to Complex Structures: Structural Diversity of
 Silver(I) Complexes Bearing Tetradentate (alkylenebimpy) NHC Ligands
;
_journal_name_full               Organometallics
_journal_page_first              150410094812000
_journal_paper_doi               10.1021/om5013067
_journal_year                    2015
_chemical_compound_source        'see text'
_chemical_formula_moiety         'C38 H35 Ag3 N13, 3(F6 P), 2(C2 H3 N)'
_chemical_formula_sum            'C42 H41 Ag3 F18 N15 P3'
_chemical_formula_weight         1514.42
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_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
_cell_angle_alpha                90
_cell_angle_beta                 125.735(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   30.663(2)
_cell_length_b                   17.1272(9)
_cell_length_c                   26.0523(19)
_cell_measurement_reflns_used    9707
_cell_measurement_temperature    123
_cell_measurement_theta_max      25.3544
_cell_measurement_theta_min      2.6571
_cell_volume                     11106.0(13)
_computing_cell_refinement       'SAINT (Bruker, 2008b)'
_computing_data_collection       'APEX II Control Software (Bruker, 2008a)'
_computing_data_reduction        'SAINT (Bruker, 2008b)'
_computing_molecular_graphics    'PLATON (Spek, 2011)'
_computing_publication_material  'PLATON (Spek, 2011), enCIFer (Allen, 2004)'
_computing_structure_refinement
'SHELXL97 (Sheldrick, 1997), SHELXLE (Huebschle, 2011)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      123
_diffrn_detector                 ' CCD plate '
_diffrn_detector_area_resol_mean 16
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       ' κ-geometry diffractometer '
_diffrn_measurement_device_type  ' Bruker APEX-II CCD '
_diffrn_measurement_method       ' phi- and omega-rotation '
_diffrn_radiation_monochromator  'MONTEL optic'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'rotating anode FR591'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0311
_diffrn_reflns_av_sigmaI/netI    0.0190
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            73942
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        25.40
_diffrn_reflns_theta_max         25.40
_diffrn_reflns_theta_min         0.96
_exptl_absorpt_coefficient_mu    1.242
_exptl_absorpt_correction_T_max  0.866
_exptl_absorpt_correction_T_min  0.733
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker, 2008b'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.811
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             5968
_exptl_crystal_size_max          0.270
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.120
_refine_diff_density_max         0.787
_refine_diff_density_min         -0.547
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     755
_refine_ls_number_reflns         10204
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0395
_refine_ls_R_factor_gt           0.0332
_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)+(0.0220P)²+65.0179P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0730
_refine_ls_wR_factor_ref         0.0781
_reflns_number_gt                9388
_reflns_number_total             10204
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            om5013067_si_002.cif
_cod_data_source_block           Compound4b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4085805
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y,1/2-z
3 -x,-y,-z
4 x,-y,1/2+z
5 1/2+x,1/2+y,z
6 1/2-x,1/2+y,1/2-z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_thermal_displace_type
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag Uani 0.22186(1) 0.47652(2) 0.18717(1) 1.000 0.0278(1) d . . .
Ag2 Ag Uani 0.29636(1) 0.77382(2) 0.32783(1) 1.000 0.0284(1) d . . .
Ag3 Ag Uani 0.26297(1) 0.62052(2) 0.26423(1) 1.000 0.0344(1) d . . .
N1 N Uani 0.34594(14) 0.4550(2) 0.25939(19) 1.000 0.0405(13) d . . .
N2 N Uani 0.31963(16) 0.5564(2) 0.20102(19) 1.000 0.0420(12) d . . .
N3 N Uani 0.25304(15) 0.6499(2) 0.17140(16) 1.000 0.0409(11) d . . .
N4 N Uani 0.11783(13) 0.4278(2) 0.18191(15) 1.000 0.0286(10) d . . .
N5 N Uani 0.10332(12) 0.4475(2) 0.09242(15) 1.000 0.0293(10) d . . .
N6 N Uani 0.15985(14) 0.4957(2) 0.06717(16) 1.000 0.0347(11) d . . .
N7 N Uani 0.14349(13) 0.2760(2) 0.23549(15) 1.000 0.0309(10) d . . .
N8 N Uani 0.11264(12) 0.1856(2) 0.16621(16) 1.000 0.0309(10) d . . .
N9 N Uani 0.15343(14) 0.0899(2) 0.14375(16) 1.000 0.0364(11) d . . .
N10 N Uani 0.19051(14) 0.8199(2) 0.31765(19) 1.000 0.0358(11) d . . .
N11 N Uani 0.26308(15) 0.8210(2) 0.41174(18) 1.000 0.0370(12) d . . .
N12 N Uani 0.34984(15) 0.7845(2) 0.44918(16) 1.000 0.0391(11) d . . .
N13 N Uani 0.19485(16) 0.6166(2) 0.2727(2) 1.000 0.0429(14) d . . .
C1 C Uani 0.30174(17) 0.4999(3) 0.2211(2) 1.000 0.0342(12) d . . .
C2 C Uani 0.3895(2) 0.4819(3) 0.2617(3) 1.000 0.061(2) d . . .
C3 C Uani 0.3738(2) 0.5444(3) 0.2260(3) 1.000 0.058(2) d . . .
C4 C Uani 0.2870(2) 0.6187(3) 0.1606(2) 1.000 0.0495(19) d . . .
C5 C Uani 0.2919(3) 0.6446(4) 0.1138(3) 1.000 0.082(3) d . . .
C6 C Uani 0.2607(5) 0.7045(6) 0.0773(3) 1.000 0.117(5) d . . .
C7 C Uani 0.2241(4) 0.7371(4) 0.0853(3) 1.000 0.100(3) d . . .
C8 C Uani 0.2211(2) 0.7072(3) 0.1331(2) 1.000 0.0639(17) d . . .
C9 C Uani 0.34490(18) 0.3811(3) 0.2861(2) 1.000 0.0440(16) d . . .
C10 C Uani 0.34747(17) 0.3126(3) 0.2509(2) 1.000 0.0448(16) d . . .
C11 C Uani 0.14279(15) 0.4497(2) 0.15559(18) 1.000 0.0265(11) d . . .
C12 C Uani 0.06413(17) 0.4108(3) 0.1362(2) 1.000 0.0388(14) d . . .
C13 C Uani 0.05500(17) 0.4227(3) 0.0802(2) 1.000 0.0399(14) d . . .
C14 C Uani 0.11066(17) 0.4726(2) 0.04534(19) 1.000 0.0322(12) d . . .
C15 C Uani 0.06832(18) 0.4734(3) -0.0178(2) 1.000 0.0426(14) d . . .
C16 C Uani 0.0780(2) 0.5008(4) -0.0603(2) 1.000 0.0554(18) d . . .
C17 C Uani 0.1284(2) 0.5264(3) -0.0387(2) 1.000 0.0496(18) d . . .
C18 C Uani 0.16836(19) 0.5218(3) 0.0254(2) 1.000 0.0421(16) d . . .
C19 C Uani 0.14378(17) 0.4190(3) 0.25003(19) 1.000 0.0332(12) d . . .
C20 C Uani 0.17486(17) 0.3426(3) 0.27521(19) 1.000 0.0329(14) d . . .
C21 C Uani 0.15259(15) 0.2395(2) 0.19678(18) 1.000 0.0289(11) d . . .
C22 C Uani 0.09784(17) 0.2467(3) 0.2282(2) 1.000 0.0379(16) d . . .
C23 C Uani 0.07831(17) 0.1906(3) 0.1844(2) 1.000 0.0373(16) d . . .
C24 C Uani 0.10861(17) 0.1279(3) 0.12399(19) 1.000 0.0343(14) d . . .
C25 C Uani 0.05940(18) 0.1134(3) 0.0664(2) 1.000 0.0454(14) d . . .
C26 C Uani 0.0584(2) 0.0552(3) 0.0286(2) 1.000 0.0550(19) d . . .
C27 C Uani 0.1038(2) 0.0143(4) 0.0484(2) 1.000 0.0571(19) d . . .
C28 C Uani 0.1505(2) 0.0334(3) 0.1056(2) 1.000 0.0480(17) d . . .
C29 C Uani 0.24367(16) 0.8060(2) 0.3506(2) 1.000 0.0323(12) d . . .
C30 C Uani 0.1771(2) 0.8449(3) 0.3576(3) 1.000 0.0541(19) d . . .
C31 C Uani 0.2217(2) 0.8455(3) 0.4156(3) 1.000 0.057(2) d . . .
C32 C Uani 0.31798(19) 0.8085(3) 0.4642(2) 1.000 0.0395(16) d . . .
C33 C Uani 0.3345(3) 0.8210(4) 0.5256(3) 1.000 0.069(2) d . . .
C34 C Uani 0.3873(3) 0.8049(5) 0.5732(3) 1.000 0.082(3) d . . .
C35 C Uani 0.4213(2) 0.7775(4) 0.5591(2) 1.000 0.063(2) d . . .
C36 C Uani 0.40123(19) 0.7694(3) 0.4967(2) 1.000 0.0448(16) d . . .
C37 C Uani 0.1576(2) 0.6167(3) 0.2710(3) 1.000 0.064(3) d . . .
C38 C Uani 0.1074(4) 0.6161(4) 0.2661(6) 1.000 0.147(6) d . . .
P4 P Uani 0.50000 0.30989(11) 0.25000 1.000 0.0442(6) d S . .
F16 F Uani 0.55968(15) 0.3072(3) 0.3089(2) 1.000 0.1120(18) d . A .
F17 F Uani 0.50000 0.4007(6) 0.25000 0.62(4) 0.117(5) d SUP A 1
F18 F Uani 0.4866(4) 0.3138(9) 0.2988(5) 0.62(2) 0.124(6) d UP A 1
F19 F Uani 0.50000 0.2220(8) 0.25000 0.62(4) 0.153(9) d SUP A 1
F20 F Uani 0.4758(8) 0.3711(12) 0.2658(13) 0.38(2) 0.168(10) d UP A 2
F21 F Uani 0.4852(9) 0.2445(15) 0.2796(9) 0.38(2) 0.163(10) d UP A 2
P1 P Uani 0.25825(5) 0.47259(9) 0.45074(6) 1.000 0.0495(4) d . . .
F1 F Uani 0.31068(13) 0.4207(2) 0.48642(18) 1.000 0.0826(15) d . . .
F2 F Uani 0.20563(15) 0.5239(3) 0.4150(2) 1.000 0.1071(18) d . . .
F3 F Uani 0.29285(14) 0.5469(2) 0.45954(16) 1.000 0.0720(12) d . . .
F4 F Uani 0.24925(17) 0.4529(3) 0.38561(16) 1.000 0.1010(18) d . . .
F5 F Uani 0.22371(13) 0.3974(2) 0.44243(17) 1.000 0.0693(12) d . . .
F6 F Uani 0.26779(17) 0.4914(2) 0.51604(18) 1.000 0.0813(17) d . . .
P2 P Uani 0.43412(6) 0.21886(11) 0.43500(7) 1.000 0.0636(5) d . . .
F7 F Uani 0.40253(16) 0.2895(2) 0.4379(2) 1.000 0.0853(16) d . . .
F8 F Uani 0.46564(18) 0.1479(3) 0.43242(19) 1.000 0.1128(18) d . . .
F9 F Uani 0.48385(13) 0.2334(2) 0.50679(18) 1.000 0.0864(14) d . . .
F10 F Uani 0.4589(2) 0.2770(4) 0.4116(3) 1.000 0.143(3) d . . .
F11 F Uani 0.38472(19) 0.2036(3) 0.36430(17) 1.000 0.123(2) d . . .
F12 F Uani 0.40900(14) 0.1633(2) 0.45951(17) 1.000 0.0798(12) d . . .
P3 P Uani 0.50000 0.07537(10) 0.75000 1.000 0.0356(5) d S . .
F13 F Uani 0.51011(14) 0.1387(2) 0.71453(18) 1.000 0.0759(14) d . . .
F14 F Uani 0.51099(16) 0.0106(2) 0.71531(16) 1.000 0.0837(15) d . . .
F15 F Uani 0.43820(11) 0.0746(3) 0.69424(13) 1.000 0.0769(15) d . . .
N14 N Uani 0.4190(4) 0.3262(5) 0.6637(5) 1.000 0.148(5) d . . .
C39 C Uani 0.4195(3) 0.2879(5) 0.6273(4) 1.000 0.093(3) d . . .
C40 C Uani 0.4245(3) 0.2440(5) 0.5842(3) 1.000 0.089(3) d . . .
N15 N Uani 0.4857(2) 0.4557(4) 0.6159(3) 1.000 0.085(2) d . . .
C41 C Uani 0.4527(2) 0.4873(4) 0.6129(2) 1.000 0.0573(19) d . . .
C42 C Uani 0.4097(2) 0.5284(5) 0.6087(3) 1.000 0.084(3) d . . .
H2 H Uiso 0.42440 0.45940 0.28480 1.000 0.0730 c R . .
H3 H Uiso 0.39510 0.57570 0.21840 1.000 0.0700 c R . .
H5 H Uiso 0.31660 0.62080 0.10770 1.000 0.0990 c R . .
H6 H Uiso 0.26390 0.72440 0.04570 1.000 0.1400 c R . .
H7 H Uiso 0.20150 0.77880 0.05920 1.000 0.1200 c R . .
H8 H Uiso 0.19530 0.72850 0.13840 1.000 0.0770 c R . .
H9A H Uiso 0.31150 0.37770 0.28370 1.000 0.0520 c R . .
H9B H Uiso 0.37580 0.37870 0.33120 1.000 0.0520 c R . .
H10A H Uiso 0.38430 0.30860 0.26230 1.000 0.0540 c R . .
H10B H Uiso 0.33970 0.26390 0.26470 1.000 0.0540 c R . .
H12 H Uiso 0.03870 0.39380 0.14350 1.000 0.0460 c R . .
H13 H Uiso 0.02190 0.41570 0.03990 1.000 0.0480 c R . .
H15 H Uiso 0.03370 0.45560 -0.03180 1.000 0.0510 c R . .
H16 H Uiso 0.04980 0.50190 -0.10420 1.000 0.0660 c R . .
H17 H Uiso 0.13560 0.54670 -0.06700 1.000 0.0600 c R . .
H18 H Uiso 0.20360 0.53800 0.04040 1.000 0.0510 c R . .
H19A H Uiso 0.11610 0.42060 0.25820 1.000 0.0400 c R . .
H19B H Uiso 0.16870 0.46330 0.27280 1.000 0.0400 c R . .
H20A H Uiso 0.20820 0.34670 0.27750 1.000 0.0400 c R . .
H20B H Uiso 0.18530 0.33360 0.31860 1.000 0.0400 c R . .
H22 H Uiso 0.08340 0.26340 0.25020 1.000 0.0460 c R . .
H23 H Uiso 0.04700 0.16010 0.16880 1.000 0.0450 c R . .
H25 H Uiso 0.02800 0.14200 0.05360 1.000 0.0540 c R . .
H26 H Uiso 0.02590 0.04380 -0.01130 1.000 0.0660 c R . .
H27 H Uiso 0.10310 -0.02650 0.02330 1.000 0.0680 c R . .
H28 H Uiso 0.18230 0.00560 0.11890 1.000 0.0580 c R . .
H30 H Uiso 0.14230 0.85890 0.34540 1.000 0.0650 c R . .
H31 H Uiso 0.22510 0.85990 0.45290 1.000 0.0670 c R . .
H33 H Uiso 0.31050 0.83990 0.53450 1.000 0.0830 c R . .
H34 H Uiso 0.40030 0.81280 0.61600 1.000 0.0980 c R . .
H35 H Uiso 0.45760 0.76470 0.59170 1.000 0.0760 c R . .
H36 H Uiso 0.42480 0.75220 0.48650 1.000 0.0530 c R . .
H38A H Uiso 0.10560 0.66300 0.28630 1.000 0.2220 c R . .
H38B H Uiso 0.10640 0.56960 0.28720 1.000 0.2220 c R . .
H38C H Uiso 0.07670 0.61530 0.22140 1.000 0.2220 c R . .
H40A H Uiso 0.41300 0.27620 0.54720 1.000 0.1340 c R . .
H40B H Uiso 0.40190 0.19720 0.57070 1.000 0.1340 c R . .
H40C H Uiso 0.46210 0.22840 0.60530 1.000 0.1340 c R . .
H42A H Uiso 0.41990 0.53940 0.65130 1.000 0.1260 c R . .
H42B H Uiso 0.37710 0.49620 0.58590 1.000 0.1260 c R . .
H42C H Uiso 0.40270 0.57770 0.58590 1.000 0.1260 c R . .
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'
F F 0.0171 0.0103 ' 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'
P P 0.1023 0.0942 ' 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
N6 Ag1 C1 109.96(16) . . yes
N6 Ag1 C11 71.72(15) . . yes
C1 Ag1 C11 177.89(16) . . yes
N12 Ag2 C29 71.20(16) . . yes
N12 Ag2 C21 109.96(16) . 6_555 yes
C21 Ag2 C29 178.42(15) 6_555 . yes
N3 Ag3 N13 123.56(16) . . yes
N3 Ag3 N9 121.34(17) . 6_555 yes
N9 Ag3 N13 115.09(16) 6_555 . yes
F16 P4 F20 103.8(11) 2_655 2_655 yes
F16 P4 F21 90.3(9) 2_655 2_655 yes
F20 P4 F21 91.9(14) 2_655 2_655 yes
F17 P4 F18 87.5(6) . 2_655 yes
F18 P4 F19 92.5(6) . . yes
F16 P4 F18 95.0(5) 2_655 . yes
F16 P4 F17 91.7(2) . . yes
F16 P4 F18 85.1(5) . . yes
F16 P4 F19 88.3(2) . . yes
F16 P4 F20 103.8(11) . . yes
F16 P4 F21 90.3(9) . . yes
F16 P4 F16 176.6(3) . 2_655 yes
F16 P4 F18 95.0(5) . 2_655 yes
F16 P4 F20 78.6(11) . 2_655 yes
F16 P4 F21 87.3(9) . 2_655 yes
F17 P4 F18 87.5(6) . . yes
F17 P4 F19 180.00(1) . . yes
F16 P4 F17 91.7(2) 2_655 . yes
F16 P4 F20 78.6(11) 2_655 . yes
F20 P4 F20 89.4(15) . 2_655 yes
F20 P4 F21 168.9(13) . 2_655 yes
F18 P4 F18 175.0(8) . 2_655 yes
F16 P4 F19 88.3(2) 2_655 . yes
F18 P4 F19 92.5(6) 2_655 . yes
F20 P4 F21 91.9(14) . . yes
F16 P4 F21 87.3(9) 2_655 . yes
F20 P4 F21 168.9(14) 2_655 . yes
F21 P4 F21 89.0(14) . 2_655 yes
F16 P4 F18 85.1(5) 2_655 2_655 yes
F1 P1 F3 90.1(2) . . yes
F1 P1 F4 89.5(2) . . yes
F1 P1 F2 179.6(3) . . yes
F4 P1 F6 179.3(3) . . yes
F5 P1 F6 90.1(2) . . yes
F2 P1 F5 90.0(3) . . yes
F2 P1 F6 90.3(3) . . yes
F3 P1 F4 90.5(2) . . yes
F1 P1 F5 89.6(2) . . yes
F1 P1 F6 89.8(2) . . yes
F2 P1 F3 90.3(3) . . yes
F2 P1 F4 90.5(3) . . yes
F3 P1 F5 179.5(2) . . yes
F3 P1 F6 89.6(2) . . yes
F4 P1 F5 89.8(2) . . yes
F7 P2 F8 179.6(3) . . yes
F7 P2 F9 91.0(2) . . yes
F7 P2 F10 89.0(3) . . yes
F11 P2 F12 90.6(3) . . yes
F8 P2 F10 91.4(3) . . yes
F8 P2 F11 91.0(3) . . yes
F8 P2 F12 90.5(3) . . yes
F9 P2 F10 90.5(3) . . yes
F7 P2 F11 89.2(3) . . yes
F7 P2 F12 89.1(3) . . yes
F8 P2 F9 88.9(2) . . yes
F10 P2 F12 177.9(3) . . yes
F9 P2 F11 179.3(3) . . yes
F9 P2 F12 88.7(2) . . yes
F10 P2 F11 90.2(3) . . yes
F13 P3 F15 90.4(2) . . yes
F13 P3 F13 92.5(2) . 2_656 yes
F13 P3 F14 178.97(19) . 2_656 yes
F13 P3 F14 88.1(2) . . yes
F13 P3 F15 90.4(2) 2_656 2_656 yes
F14 P3 F15 90.6(2) 2_656 2_656 yes
F14 P3 F14 91.3(2) . 2_656 yes
F14 P3 F15 88.8(2) . 2_656 yes
F13 P3 F15 90.2(2) 2_656 . yes
F14 P3 F15 88.8(2) 2_656 . yes
F13 P3 F15 90.2(2) . 2_656 yes
F14 P3 F15 90.6(2) . . yes
F13 P3 F14 179.0(2) 2_656 . yes
F15 P3 F15 179.0(3) . 2_656 yes
F13 P3 F14 88.1(2) 2_656 2_656 yes
C2 N1 C9 124.1(5) . . yes
C1 N1 C2 111.6(4) . . yes
C1 N1 C9 123.6(5) . . yes
C1 N2 C4 123.5(5) . . yes
C3 N2 C4 125.8(5) . . yes
C1 N2 C3 110.6(4) . . yes
C4 N3 C8 117.3(4) . . yes
Ag3 N3 C4 119.4(3) . . yes
Ag3 N3 C8 122.3(4) . . yes
C11 N4 C12 111.4(4) . . yes
C11 N4 C19 125.2(4) . . yes
C12 N4 C19 123.4(4) . . yes
C11 N5 C13 111.3(4) . . yes
C13 N5 C14 125.1(4) . . yes
C11 N5 C14 123.6(4) . . yes
Ag1 N6 C18 132.7(4) . . yes
C14 N6 C18 117.8(4) . . yes
Ag1 N6 C14 109.5(3) . . yes
C20 N7 C22 124.9(4) . . yes
C21 N7 C22 111.2(4) . . yes
C20 N7 C21 123.7(4) . . yes
C21 N8 C23 111.2(4) . . yes
C21 N8 C24 124.3(4) . . yes
C23 N8 C24 124.3(4) . . yes
Ag3 N9 C24 124.0(3) 6_545 . yes
C24 N9 C28 117.3(4) . . yes
Ag3 N9 C28 118.6(4) 6_545 . yes
C29 N10 C30 110.7(4) . . yes
C10 N10 C29 124.6(5) 6_555 . yes
C10 N10 C30 124.6(5) 6_555 . yes
C31 N11 C32 125.9(5) . . yes
C29 N11 C31 110.3(5) . . yes
C29 N11 C32 123.7(5) . . yes
Ag2 N12 C36 132.8(4) . . yes
C32 N12 C36 117.5(4) . . yes
Ag2 N12 C32 109.7(3) . . yes
Ag3 N13 C37 173.3(5) . . yes
Ag1 C1 N1 128.3(4) . . yes
Ag1 C1 N2 127.4(4) . . yes
N1 C1 N2 103.4(5) . . yes
N1 C2 C3 107.2(6) . . yes
N2 C3 C2 107.1(6) . . yes
N2 C4 N3 116.2(5) . . yes
N2 C4 C5 120.1(6) . . yes
N3 C4 C5 123.7(5) . . yes
C4 C5 C6 117.9(10) . . no
C5 C6 C7 120.6(10) . . no
C6 C7 C8 118.1(7) . . no
N3 C8 C7 122.3(7) . . yes
N1 C9 C10 111.1(4) . . yes
N10 C10 C9 112.8(4) 6_545 . yes
Ag1 C11 N4 136.9(3) . . yes
Ag1 C11 N5 119.1(3) . . yes
N4 C11 N5 103.9(4) . . yes
N4 C12 C13 107.1(5) . . yes
N5 C13 C12 106.4(4) . . yes
N5 C14 C15 121.0(5) . . yes
N5 C14 N6 115.5(4) . . yes
N6 C14 C15 123.6(5) . . yes
C14 C15 C16 117.7(5) . . no
C15 C16 C17 119.8(4) . . no
C16 C17 C18 118.0(5) . . no
N6 C18 C17 123.2(6) . . yes
N4 C19 C20 111.7(4) . . yes
N7 C20 C19 112.2(4) . . yes
N7 C21 N8 104.1(4) . . yes
Ag2 C21 N7 128.2(3) 6_545 . yes
Ag2 C21 N8 126.2(3) 6_545 . yes
N7 C22 C23 106.8(5) . . yes
N8 C23 C22 106.6(5) . . yes
N8 C24 C25 120.3(5) . . yes
N9 C24 C25 123.8(5) . . yes
N8 C24 N9 115.9(4) . . yes
C24 C25 C26 116.9(5) . . no
C25 C26 C27 120.4(5) . . no
C26 C27 C28 118.4(5) . . no
N9 C28 C27 123.2(6) . . yes
Ag2 C29 N11 119.9(4) . . yes
N10 C29 N11 104.6(5) . . yes
Ag2 C29 N10 135.4(3) . . yes
N10 C30 C31 107.3(6) . . yes
N11 C31 C30 107.1(6) . . yes
N11 C32 N12 115.2(4) . . yes
N11 C32 C33 120.8(6) . . yes
N12 C32 C33 124.0(6) . . yes
C32 C33 C34 117.1(8) . . no
C33 C34 C35 120.3(6) . . no
C34 C35 C36 117.9(6) . . no
N12 C36 C35 123.2(6) . . yes
N13 C37 C38 177.7(8) . . yes
C3 C2 H2 126.00 . . no
N1 C2 H2 127.00 . . no
C2 C3 H3 127.00 . . no
N2 C3 H3 126.00 . . no
C4 C5 H5 121.00 . . no
C6 C5 H5 121.00 . . no
C5 C6 H6 120.00 . . no
C7 C6 H6 120.00 . . no
C6 C7 H7 121.00 . . no
C8 C7 H7 121.00 . . no
N3 C8 H8 119.00 . . no
C7 C8 H8 119.00 . . no
N1 C9 H9A 109.00 . . no
N1 C9 H9B 109.00 . . no
C10 C9 H9A 109.00 . . no
C10 C9 H9B 109.00 . . no
H9A C9 H9B 108.00 . . no
N10 C10 H10B 109.00 6_545 . no
N10 C10 H10A 109.00 6_545 . no
H10A C10 H10B 108.00 . . no
C9 C10 H10A 109.00 . . no
C9 C10 H10B 109.00 . . no
N4 C12 H12 126.00 . . no
C13 C12 H12 126.00 . . no
C12 C13 H13 127.00 . . no
N5 C13 H13 127.00 . . no
C14 C15 H15 121.00 . . no
C16 C15 H15 121.00 . . no
C15 C16 H16 120.00 . . no
C17 C16 H16 120.00 . . no
C18 C17 H17 121.00 . . no
C16 C17 H17 121.00 . . no
N6 C18 H18 119.00 . . no
C17 C18 H18 118.00 . . no
N4 C19 H19A 109.00 . . no
H19A C19 H19B 108.00 . . no
N4 C19 H19B 109.00 . . no
C20 C19 H19A 109.00 . . no
C20 C19 H19B 109.00 . . no
N7 C20 H20B 109.00 . . no
C19 C20 H20A 109.00 . . no
C19 C20 H20B 109.00 . . no
N7 C20 H20A 109.00 . . no
H20A C20 H20B 108.00 . . no
C23 C22 H22 127.00 . . no
N7 C22 H22 127.00 . . no
N8 C23 H23 127.00 . . no
C22 C23 H23 127.00 . . no
C26 C25 H25 122.00 . . no
C24 C25 H25 122.00 . . no
C27 C26 H26 120.00 . . no
C25 C26 H26 120.00 . . no
C26 C27 H27 121.00 . . no
C28 C27 H27 121.00 . . no
C27 C28 H28 118.00 . . no
N9 C28 H28 118.00 . . no
C31 C30 H30 126.00 . . no
N10 C30 H30 126.00 . . no
N11 C31 H31 126.00 . . no
C30 C31 H31 127.00 . . no
C34 C33 H33 121.00 . . no
C32 C33 H33 122.00 . . no
C33 C34 H34 120.00 . . no
C35 C34 H34 120.00 . . no
C34 C35 H35 121.00 . . no
C36 C35 H35 121.00 . . no
N12 C36 H36 118.00 . . no
C35 C36 H36 118.00 . . no
C37 C38 H38C 109.00 . . no
H38B C38 H38C 109.00 . . no
H38A C38 H38B 110.00 . . no
H38A C38 H38C 109.00 . . no
C37 C38 H38A 109.00 . . no
C37 C38 H38B 109.00 . . no
N14 C39 C40 174.9(12) . . yes
C39 C40 H40A 110.00 . . no
C39 C40 H40B 109.00 . . no
C39 C40 H40C 109.00 . . no
H40A C40 H40B 110.00 . . no
H40A C40 H40C 110.00 . . no
H40B C40 H40C 109.00 . . no
N15 C41 C42 179.7(7) . . yes
C41 C42 H42A 110.00 . . no
C41 C42 H42B 110.00 . . no
C41 C42 H42C 109.00 . . no
H42A C42 H42B 109.00 . . no
H42A C42 H42C 109.00 . . no
H42B C42 H42C 109.00 . . no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N6 2.560(3) . yes
Ag1 C1 2.100(6) . yes
Ag1 C11 2.106(5) . yes
Ag2 N12 2.581(3) . yes
Ag2 C29 2.094(6) . yes
Ag2 C21 2.093(5) 6_555 yes
Ag3 N3 2.310(4) . yes
Ag3 N13 2.226(6) . yes
Ag3 N9 2.327(4) 6_555 yes
P4 F19 1.505(14) . yes
P4 F20 1.48(3) . yes
P4 F21 1.57(3) . yes
P4 F16 1.557(5) 2_655 yes
P4 F18 1.549(13) 2_655 yes
P4 F20 1.48(3) 2_655 yes
P4 F21 1.57(3) 2_655 yes
P4 F17 1.555(10) . yes
P4 F18 1.549(13) . yes
P4 F16 1.557(5) . yes
P1 F3 1.586(4) . yes
P1 F5 1.600(4) . yes
P1 F6 1.582(5) . yes
P1 F4 1.588(4) . yes
P1 F1 1.579(5) . yes
P1 F2 1.577(5) . yes
P2 F10 1.575(7) . yes
P2 F11 1.580(4) . yes
P2 F12 1.575(5) . yes
P2 F8 1.579(6) . yes
P2 F9 1.598(4) . yes
P2 F7 1.579(5) . yes
P3 F13 1.569(4) . yes
P3 F14 1.586(4) . yes
P3 F15 1.577(3) 2_656 yes
P3 F15 1.577(3) . yes
P3 F13 1.569(4) 2_656 yes
P3 F14 1.586(4) 2_656 yes
N1 C2 1.381(9) . yes
N1 C9 1.454(6) . yes
N1 C1 1.358(7) . yes
N2 C1 1.359(7) . yes
N2 C3 1.401(9) . yes
N2 C4 1.421(6) . yes
N3 C4 1.338(8) . yes
N3 C8 1.333(6) . yes
N4 C19 1.468(5) . yes
N4 C12 1.387(7) . yes
N4 C11 1.345(7) . yes
N5 C11 1.359(5) . yes
N5 C13 1.388(7) . yes
N5 C14 1.436(6) . yes
N6 C14 1.324(7) . yes
N6 C18 1.336(7) . yes
N7 C21 1.347(6) . yes
N7 C22 1.392(7) . yes
N7 C20 1.461(6) . yes
N8 C21 1.359(6) . yes
N8 C23 1.387(7) . yes
N8 C24 1.429(6) . yes
N9 C28 1.352(6) . yes
N9 C24 1.323(7) . yes
N10 C10 1.460(6) 6_555 yes
N10 C29 1.348(7) . yes
N10 C30 1.391(8) . yes
N11 C29 1.360(6) . yes
N11 C31 1.395(9) . yes
N11 C32 1.435(7) . yes
N12 C36 1.343(7) . yes
N12 C32 1.313(8) . yes
N13 C37 1.117(10) . yes
C2 C3 1.311(8) . no
C4 C5 1.386(10) . no
C5 C6 1.345(12) . no
C6 C7 1.374(19) . no
C7 C8 1.398(11) . no
C9 C10 1.519(7) . no
C12 C13 1.331(7) . no
N14 C39 1.161(14) . yes
C14 C15 1.377(6) . no
C15 C16 1.385(8) . no
C16 C17 1.372(9) . no
C17 C18 1.381(6) . no
C19 C20 1.523(7) . no
C22 C23 1.336(7) . no
C24 C25 1.395(7) . no
C25 C26 1.389(7) . no
C26 C27 1.362(9) . no
C27 C28 1.373(7) . no
C30 C31 1.319(9) . no
C32 C33 1.384(8) . no
C33 C34 1.375(12) . no
C34 C35 1.375(12) . no
C35 C36 1.368(6) . no
C37 C38 1.468(17) . no
C2 H2 0.9500 . no
C3 H3 0.9500 . no
C5 H5 0.9500 . no
C6 H6 0.9500 . no
C7 H7 0.9500 . no
C8 H8 0.9500 . no
C9 H9A 0.9900 . no
C9 H9B 0.9900 . no
C10 H10B 0.9900 . no
C10 H10A 0.9900 . no
C12 H12 0.9500 . no
C13 H13 0.9500 . no
C15 H15 0.9500 . no
C16 H16 0.9500 . no
C17 H17 0.9500 . no
C18 H18 0.9500 . no
C19 H19A 0.9900 . no
C19 H19B 0.9900 . no
C20 H20A 0.9900 . no
C20 H20B 0.9900 . no
C22 H22 0.9500 . no
C23 H23 0.9500 . no
C25 H25 0.9500 . no
C26 H26 0.9500 . no
C27 H27 0.9500 . no
C28 H28 0.9500 . no
C30 H30 0.9500 . no
C31 H31 0.9500 . no
C33 H33 0.9500 . no
C34 H34 0.9500 . no
C35 H35 0.9500 . no
C36 H36 0.9500 . no
C38 H38C 0.9800 . no
C38 H38B 0.9800 . no
C38 H38A 0.9800 . no
N15 C41 1.109(10) . yes
C39 C40 1.432(13) . no
C40 H40B 0.9800 . no
C40 H40C 0.9800 . no
C40 H40A 0.9800 . no
C41 C42 1.441(10) . no
C42 H42A 0.9800 . no
C42 H42B 0.9800 . no
C42 H42C 0.9800 . no
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
C3 H3 N14 0.9500 2.5700 3.478(14) 159.00 4_564 yes
C8 H8 F11 0.9500 2.4500 3.285(9) 146.00 6_555 yes
C10 H10B F11 0.9900 2.3500 3.095(6) 131.00 . yes
C12 H12 F13 0.9500 2.5300 3.402(7) 153.00 8_454 yes
C13 H13 F8 0.9500 2.5200 3.387(6) 151.00 8_454 yes
C15 H15 F8 0.9500 2.4700 3.338(8) 152.00 8_454 yes
C16 H16 F14 0.9500 2.3600 3.303(5) 172.00 6_555 yes
C18 H18 F6 0.9500 2.4500 3.205(9) 137.00 4_564 yes
C19 H19B F4 0.9900 2.5100 3.151(6) 122.00 . yes
C22 H22 F13 0.9500 2.5100 3.178(7) 128.00 8_454 yes
C23 H23 N15 0.9500 2.5200 3.407(9) 156.00 8_454 yes
C25 H25 F9 0.9500 2.4400 3.234(6) 141.00 8_454 yes
C28 H28 F4 0.9500 2.3500 3.253(9) 159.00 6_545 yes
C30 H30 F16 0.9500 2.3000 3.107(9) 142.00 5_455 yes
C42 H42A F17 0.9800 2.5100 3.284(8) 135.00 3_666 yes
C42 H42B F1 0.9800 2.5200 3.387(8) 147.00 . 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_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 Ag1 N6 C14 173.1(3) . . . no
C1 Ag1 N6 C18 -5.3(5) . . . no
C11 Ag1 N6 C14 -5.5(3) . . . no
C11 Ag1 N6 C18 176.1(5) . . . no
N6 Ag1 C1 N1 -129.5(4) . . . no
N6 Ag1 C1 N2 37.8(5) . . . no
N6 Ag1 C11 N4 -178.1(4) . . . no
N6 Ag1 C11 N5 7.0(3) . . . no
C29 Ag2 N12 C32 -3.2(3) . . . no
C29 Ag2 N12 C36 175.5(5) . . . no
C21 Ag2 N12 C32 178.0(3) 6_555 . . no
C21 Ag2 N12 C36 -3.3(5) 6_555 . . no
N12 Ag2 C29 N10 -178.2(4) . . . no
N12 Ag2 C29 N11 4.8(3) . . . no
N12 Ag2 C21 N7 -123.9(3) . 6_555 6_555 no
N12 Ag2 C21 N8 39.9(4) . 6_555 6_555 no
N13 Ag3 N3 C4 -149.9(3) . . . no
N13 Ag3 N3 C8 42.3(4) . . . no
N9 Ag3 N3 C4 28.8(4) 6_555 . . no
N9 Ag3 N3 C8 -139.0(4) 6_555 . . no
N3 Ag3 N9 C24 42.9(4) . 6_555 6_555 no
N3 Ag3 N9 C28 -141.7(4) . 6_555 6_555 no
N13 Ag3 N9 C24 -138.3(4) . 6_555 6_555 no
N13 Ag3 N9 C28 37.1(4) . 6_555 6_555 no
C2 N1 C1 Ag1 168.2(4) . . . no
C2 N1 C1 N2 -1.4(5) . . . no
C9 N1 C1 Ag1 -2.5(7) . . . no
C9 N1 C1 N2 -172.2(4) . . . no
C1 N1 C2 C3 1.0(6) . . . no
C9 N1 C2 C3 171.7(5) . . . no
C1 N1 C9 C10 103.1(6) . . . no
C2 N1 C9 C10 -66.5(6) . . . no
C3 N2 C1 Ag1 -168.5(4) . . . no
C3 N2 C1 N1 1.3(5) . . . no
C4 N2 C1 Ag1 12.0(7) . . . no
C4 N2 C1 N1 -178.3(4) . . . no
C1 N2 C3 C2 -0.8(6) . . . no
C4 N2 C3 C2 178.8(5) . . . no
C1 N2 C4 N3 39.2(6) . . . no
C1 N2 C4 C5 -141.6(6) . . . no
C3 N2 C4 N3 -140.3(5) . . . no
C3 N2 C4 C5 38.9(8) . . . no
Ag3 N3 C4 N2 13.2(6) . . . no
Ag3 N3 C4 C5 -165.9(5) . . . no
C8 N3 C4 N2 -178.4(4) . . . no
C8 N3 C4 C5 2.5(8) . . . no
Ag3 N3 C8 C7 164.9(5) . . . no
C4 N3 C8 C7 -3.2(8) . . . no
C12 N4 C11 Ag1 -174.3(3) . . . no
C12 N4 C11 N5 1.1(5) . . . no
C19 N4 C11 Ag1 3.0(7) . . . no
C19 N4 C11 N5 178.4(4) . . . no
C11 N4 C12 C13 -0.4(5) . . . no
C19 N4 C12 C13 -177.8(4) . . . no
C11 N4 C19 C20 -78.4(6) . . . no
C12 N4 C19 C20 98.6(6) . . . no
C13 N5 C11 Ag1 175.0(3) . . . no
C13 N5 C11 N4 -1.4(5) . . . no
C14 N5 C11 Ag1 -8.7(5) . . . no
C14 N5 C11 N4 174.9(4) . . . no
C11 N5 C13 C12 1.2(5) . . . no
C14 N5 C13 C12 -175.1(4) . . . no
C11 N5 C14 N6 2.7(6) . . . no
C11 N5 C14 C15 -176.1(4) . . . no
C13 N5 C14 N6 178.5(4) . . . no
C13 N5 C14 C15 -0.3(6) . . . no
Ag1 N6 C14 N5 3.2(4) . . . no
Ag1 N6 C14 C15 -178.0(4) . . . no
C18 N6 C14 N5 -178.1(4) . . . no
C18 N6 C14 C15 0.7(6) . . . no
Ag1 N6 C18 C17 179.0(4) . . . no
C14 N6 C18 C17 0.7(7) . . . no
C21 N7 C20 C19 106.4(5) . . . no
C22 N7 C20 C19 -67.4(6) . . . no
C20 N7 C21 N8 -176.0(4) . . . no
C20 N7 C21 Ag2 -9.4(6) . . 6_545 no
C22 N7 C21 N8 -1.4(4) . . . no
C22 N7 C21 Ag2 165.2(3) . . 6_545 no
C20 N7 C22 C23 174.9(4) . . . no
C21 N7 C22 C23 0.4(5) . . . no
C23 N8 C21 N7 1.9(4) . . . no
C23 N8 C21 Ag2 -165.0(3) . . 6_545 no
C24 N8 C21 N7 -174.2(4) . . . no
C24 N8 C21 Ag2 18.9(6) . . 6_545 no
C21 N8 C23 C22 -1.8(5) . . . no
C24 N8 C23 C22 174.4(4) . . . no
C21 N8 C24 N9 46.0(6) . . . no
C21 N8 C24 C25 -135.2(5) . . . no
C23 N8 C24 N9 -129.7(5) . . . no
C23 N8 C24 C25 49.2(7) . . . no
C28 N9 C24 N8 178.2(4) . . . no
C28 N9 C24 C25 -0.7(8) . . . no
Ag3 N9 C24 N8 -6.4(6) 6_545 . . no
Ag3 N9 C24 C25 174.8(4) 6_545 . . no
C24 N9 C28 C27 -0.1(8) . . . no
Ag3 N9 C28 C27 -175.8(5) 6_545 . . no
C30 N10 C29 Ag2 -176.0(3) . . . no
C30 N10 C29 N11 1.3(5) . . . no
C10 N10 C29 Ag2 1.8(6) 6_555 . . no
C10 N10 C29 N11 179.1(4) 6_555 . . no
C29 N10 C30 C31 -0.9(6) . . . no
C10 N10 C30 C31 -178.8(4) 6_555 . . no
C29 N10 C10 C9 -77.2(6) . 6_555 6_555 no
C30 N10 C10 C9 100.4(6) . 6_555 6_555 no
C31 N11 C29 Ag2 176.6(3) . . . no
C31 N11 C29 N10 -1.2(5) . . . no
C32 N11 C29 Ag2 -6.7(5) . . . no
C32 N11 C29 N10 175.5(4) . . . no
C29 N11 C31 C30 0.6(6) . . . no
C32 N11 C31 C30 -176.0(5) . . . no
C29 N11 C32 N12 3.1(7) . . . no
C29 N11 C32 C33 -176.5(5) . . . no
C31 N11 C32 N12 179.3(4) . . . no
C31 N11 C32 C33 -0.3(8) . . . no
Ag2 N12 C32 N11 1.2(5) . . . no
Ag2 N12 C32 C33 -179.3(5) . . . no
C36 N12 C32 N11 -177.8(4) . . . no
C36 N12 C32 C33 1.8(8) . . . no
Ag2 N12 C36 C35 -178.3(4) . . . no
C32 N12 C36 C35 0.4(8) . . . no
N1 C2 C3 N2 -0.1(6) . . . no
N2 C4 C5 C6 -179.0(7) . . . no
N3 C4 C5 C6 0.0(10) . . . no
C4 C5 C6 C7 -1.9(13) . . . no
C5 C6 C7 C8 1.2(13) . . . no
C6 C7 C8 N3 1.4(10) . . . no
N1 C9 C10 N10 -48.1(6) . . 6_545 no
N4 C12 C13 N5 -0.5(6) . . . no
N5 C14 C15 C16 177.9(5) . . . no
N6 C14 C15 C16 -0.8(7) . . . no
C14 C15 C16 C17 -0.5(9) . . . no
C15 C16 C17 C18 1.7(9) . . . no
C16 C17 C18 N6 -1.9(8) . . . no
N4 C19 C20 N7 -47.3(6) . . . no
N7 C22 C23 N8 0.8(5) . . . no
N8 C24 C25 C26 -178.5(5) . . . no
N9 C24 C25 C26 0.3(8) . . . no
C24 C25 C26 C27 0.9(8) . . . no
C25 C26 C27 C28 -1.6(9) . . . no
C26 C27 C28 N9 1.2(9) . . . no
N10 C30 C31 N11 0.2(6) . . . no
N11 C32 C33 C34 177.7(6) . . . no
N12 C32 C33 C34 -1.9(10) . . . no
C32 C33 C34 C35 -0.1(11) . . . no
C33 C34 C35 C36 2.0(11) . . . no
C34 C35 C36 N12 -2.2(10) . . . no
