# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_SK159_123K
_database_code_depnum_ccdc_archive 'CCDC 1580157'
_audit_update_record             
;
2017-10-16 deposited with the CCDC.
2017-12-13 downloaded from the CCDC.
;
_audit_creation_date             2017-05-09
_audit_creation_method           CRYSTALS_ver_14.61_build_5809

_oxford_structure_analysis_title 'SK159_123K_0m in P-1'
_chemical_name_systematic        ?
_chemical_melting_point          ?
_chemical_compound_source        'Sarah Keller'

_exptl_crystal_recrystallization_method 
; 
Acetone
;



# start Validation Reply Form
_vrf_PLAT910_SK159_123K          
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min)          62 Note  
RESPONSE: that is probably an absorption effect see below in the cif file for 
the xprep intensity statistics
;
#end of refcif 
_cell_length_a                   11.4217(7)
_cell_length_b                   15.4399(10)
_cell_length_c                   16.5048(10)
_cell_angle_alpha                90.991(2)
_cell_angle_beta                 107.581(2)
_cell_angle_gamma                101.888(2)
_cell_volume                     2705.3(3)

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1 '
_symmetry_space_group_name_Hall  '-P 1'
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z

loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
C 0.0181 0.0091 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
H 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998
0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
N 0.0311 0.0180 12.2126 0.0057 3.1322 9.8933 2.0125 28.9975 1.1663 0.5826
-11.5290 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
F 0.0727 0.0534 3.5392 10.2825 2.6412 4.2944 1.5170 0.2615 1.0243 26.1476
0.2776 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
P 0.2955 0.4335 6.4345 1.9067 4.1791 27.1570 1.7800 0.5260 1.4908 68.1645
1.1149 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Ag 0.1306 4.2820 19.2808 0.6446 16.6885 7.4726 4.8045 24.6605 1.0463 99.8156
5.1790 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
O 0.0492 0.0322 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.8670 32.9089
0.2508 'International Tables Vol C 4.2.6.8 and 6.1.1.4'


_cell_formula_units_Z            2

# Given Formula = C50 H44 Ag2 F12 N4 O2 P4 
# Dc =      1.60 Fooo =   1300.00 Mu =     76.68 M =   1300.53
# Found Formula = C53 H50 Ag2 F12 N4 O1 P4 
# Dc =      1.63 FOOO =   1332.00 Mu =     76.66 M =   1326.61

_chemical_formula_sum            'C53 H50 Ag2 F12 N4 O1 P4'
_chemical_formula_moiety         'C53 H50 Ag2 F12 N4 O1 P4'
_chemical_formula_weight         1326.61


_cell_measurement_reflns_used    9969
_cell_measurement_theta_min      10
_cell_measurement_theta_max      70
_cell_measurement_temperature    123

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_min          0.040
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_max          0.070

_exptl_crystal_density_diffrn    1.628
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
# Non-dispersive F(000): 
_exptl_crystal_F_000             1332
_exptl_absorpt_coefficient_mu    7.666

# Sheldrick geometric approximatio 0.68 0.74 
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Siemens, 1996)'
_exptl_absorpt_correction_T_min  0.59
_exptl_absorpt_correction_T_max  0.74
_diffrn_measurement_device_type  'Bruker Kappa Apex2'
_diffrn_measurement_device       Area
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54180
_diffrn_measurement_method       'φ & ω scans'

# If a reference occurs more than once, delete the author 
# and date from subsequent references. 
_computing_data_collection       'Apex2 (Bruker AXS, 2006)'
_computing_cell_refinement       'Apex2 (Bruker AXS, 2006)'
_computing_data_reduction        'Apex2 (Bruker AXS, 2006)'
_computing_structure_solution    'Superflip (Palatinus & Chapuis, 2007)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'

_diffrn_standards_interval_time  .
_diffrn_standards_interval_count .
_diffrn_standards_number         0
_diffrn_standards_decay_%        ?

_diffrn_ambient_temperature      123
_diffrn_reflns_number            20062
_reflns_number_total             9500
_diffrn_reflns_av_R_equivalents  0.021
# Number of reflections without Friedels Law is 0 
# Number of reflections with Friedels Law is 9500 
# Theoretical number of reflections is about 20649 


_diffrn_reflns_theta_min         9.884
_diffrn_reflns_theta_max         70.322
_diffrn_measured_fraction_theta_max 0.922

_diffrn_reflns_theta_full        68.000
_diffrn_measured_fraction_theta_full 0.952


_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_reflns_limit_h_min              -13
_reflns_limit_h_max              12
_reflns_limit_k_min              -18
_reflns_limit_k_max              18
_reflns_limit_l_min              0
_reflns_limit_l_max              19

_oxford_diffrn_Wilson_B_factor   0.00
_oxford_diffrn_Wilson_scale      0.00

_atom_sites_solution_primary     Other #heavy,direct,difmap,geom,iterative
# _atom_sites_solution_secondary  difmap
_atom_sites_solution_hydrogens   difmap

_refine_diff_density_min         -0.49
_refine_diff_density_max         1.14


# The current dictionary definitions do not cover the 
# situation where the reflections used for refinement were 
# selected by a user-defined sigma threshold 


# The values actually used during refinement 
_oxford_reflns_threshold_expression_ref I>-3.0\s(I)
_refine_ls_number_reflns         9495
_refine_ls_number_restraints     0
_refine_ls_number_parameters     685
_oxford_refine_ls_R_factor_ref   0.0366
_refine_ls_wR_factor_ref         0.0810
_refine_ls_goodness_of_fit_ref   0.9224
_refine_ls_shift/su_max          0.0018171
_refine_ls_shift/su_mean         0.0000414


# The values computed with all filters except I/sigma 
_oxford_reflns_number_all        9496
_refine_ls_R_factor_all          0.0366
_refine_ls_wR_factor_all         0.0810

# The values computed with a 2 sigma cutoff - a la SHELX 
_reflns_threshold_expression     I>2.0σ(I)
_reflns_number_gt                9089
_refine_ls_R_factor_gt           0.0350
_refine_ls_wR_factor_gt          0.0806

# choose from: rm (reference molecule of known chirality), 
# ad (anomolous dispersion - Flack), rmad (rm and ad), 
# syn (from synthesis), unk (unknown) or . (not applicable). 
_chemical_absolute_configuration .


_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_hydrogen_treatment    constr #undef, noref, refall,
# refxyz, refU, constr or mixed
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 Method, part 1, Chebychev polynomial, (Watkin, 1994, Prince, 1982) 
 [weight] = 1.0/[A₀*T₀(x)+A₁*T₁(x) ... +Aₙ₋₁]*Tₙ₋₁(x)] 
 where Ai are the Chebychev coefficients listed below and x= Fcalc/Fmax 
 Method = Robust Weighting (Prince, 1982) 
 W = [weight] * [1-(deltaF/6*sigmaF)²]² 
 Ai are: 
 5.83 8.96 4.38 1.15 
;

# Uequiv = arithmetic mean of Ui i.e. Ueqiv = (U1+U2+U3)/3

# Replace last . with number of unfound hydrogen atoms attached to an atom.

# ..._refinement_flags_... 
# . no refinement constraints           S special position constraint on site
# G rigid group refinement of site      R riding atom
# D distance or angle restraint on site T thermal displacement constraints
# U Uiso or Uij restraint (rigid bond)  P partial occupancy constraint


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_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_attached_hydrogens
Ag1 Ag 0.544819(19) 0.233253(13) 0.445085(11) 0.0246 1.0000 Uani . . . . . .
Ag2 Ag 0.083354(19) 0.415107(13) 0.162735(13) 0.0271 1.0000 Uani . . . . . .
P1 P 0.10872(6) 0.27229(4) 0.19683(4) 0.0234 1.0000 Uani . . . . . .
P2 P 0.53108(6) 0.24977(4) 0.30160(4) 0.0191 1.0000 Uani . . . . . .
P3 P 0.83282(7) 0.38321(5) 0.59454(5) 0.0294 1.0000 Uani . . . . . .
P4 P -0.64166(7) 0.22793(5) -0.07847(5) 0.0302 1.0000 Uani . . . . . .
F1 F 0.75271(19) 0.32982(13) 0.64919(12) 0.0437 1.0000 Uani . . . . . .
F2 F 0.95886(19) 0.36368(14) 0.65775(14) 0.0532 1.0000 Uani . . . . . .
F3 F 0.91184(19) 0.43597(14) 0.53875(12) 0.0470 1.0000 Uani . . . . . .
F4 F 0.8530(2) 0.47354(13) 0.65086(14) 0.0528 1.0000 Uani . . . . . .
F5 F 0.70581(18) 0.40217(13) 0.52971(13) 0.0452 1.0000 Uani . . . . . .
F6 F 0.81063(18) 0.29291(13) 0.53583(13) 0.0445 1.0000 Uani . . . . . .
F7 F -0.5053(2) 0.20685(15) -0.04491(16) 0.0581 1.0000 Uani . . . . . .
F8 F -0.6986(2) 0.13353(12) -0.05145(13) 0.0434 1.0000 Uani . . . . . .
F9 F -0.6261(2) 0.27050(14) 0.01467(13) 0.0565 1.0000 Uani . . . . . .
F10 F -0.6589(3) 0.18389(17) -0.17069(13) 0.0599 1.0000 Uani . . . . . .
F11 F -0.77845(19) 0.24806(15) -0.11131(13) 0.0488 1.0000 Uani . . . . . .
F12 F -0.5845(3) 0.32277(15) -0.1033(2) 0.0736 1.0000 Uani . . . . . .
N1 N 0.5551(2) 0.14656(15) 0.55619(14) 0.0262 1.0000 Uani . . . . . .
N2 N 0.4361(2) 0.28465(15) 0.52550(15) 0.0279 1.0000 Uani . . . . . .
N3 N -0.0812(2) 0.47541(16) 0.09087(15) 0.0282 1.0000 Uani . . . . . .
N4 N 0.1657(2) 0.55890(15) 0.15445(15) 0.0272 1.0000 Uani . . . . . .
O1 O 0.0692(4) -0.0441(2) 0.2826(5) 0.1380 1.0000 Uani . . . . . .
C3 C 0.6147(2) 0.35425(17) 0.27719(16) 0.0216 1.0000 Uani . . . . . .
C4 C 0.7349(3) 0.3907(2) 0.33190(18) 0.0306 1.0000 Uani . . . . . .
C5 C 0.8052(3) 0.4682(2) 0.3144(2) 0.0394 1.0000 Uani . . . . . .
C6 C 0.7549(3) 0.5112(2) 0.2442(2) 0.0377 1.0000 Uani . . . . . .
C7 C 0.6333(3) 0.4766(2) 0.1904(2) 0.0329 1.0000 Uani . . . . . .
C8 C 0.5640(3) 0.39767(19) 0.20594(17) 0.0270 1.0000 Uani . . . . . .
C9 C 0.3724(2) 0.25052(17) 0.24858(16) 0.0226 1.0000 Uani . . . . . .
C10 C 0.2638(3) 0.25595(17) 0.22373(17) 0.0249 1.0000 Uani . . . . . .
C14 C -0.0490(3) 0.55954(19) 0.07140(17) 0.0284 1.0000 Uani . . . . . .
C15 C 0.0873(3) 0.60495(19) 0.10542(18) 0.0297 1.0000 Uani . . . . . .
C17 C 0.2889(3) 0.59647(19) 0.18802(18) 0.0302 1.0000 Uani . . . . . .
C18 C 0.3703(3) 0.5439(2) 0.2450(2) 0.0399 1.0000 Uani . . . . . .
C19 C 0.3385(3) 0.6820(2) 0.1709(2) 0.0370 1.0000 Uani . . . . . .
C20 C 0.2604(4) 0.7288(2) 0.1197(2) 0.0440 1.0000 Uani . . . . . .
C21 C 0.1334(4) 0.6915(2) 0.0870(2) 0.0403 1.0000 Uani . . . . . .
C22 C -0.1395(3) 0.6018(2) 0.02307(19) 0.0360 1.0000 Uani . . . . . .
C23 C -0.2636(3) 0.5548(2) -0.00811(19) 0.0387 1.0000 Uani . . . . . .
C24 C -0.2952(3) 0.4683(2) 0.01080(19) 0.0361 1.0000 Uani . . . . . .
C25 C -0.2015(3) 0.4303(2) 0.06237(19) 0.0317 1.0000 Uani . . . . . .
C26 C -0.2321(3) 0.3389(2) 0.0912(2) 0.0367 1.0000 Uani . . . . . .
C27 C 0.0244(3) 0.18602(17) 0.11055(18) 0.0258 1.0000 Uani . . . . . .
C28 C 0.0800(3) 0.16728(18) 0.04954(19) 0.0288 1.0000 Uani . . . . . .
C29 C 0.0104(3) 0.1104(2) -0.0227(2) 0.0357 1.0000 Uani . . . . . .
C30 C -0.1150(3) 0.0716(2) -0.0341(2) 0.0381 1.0000 Uani . . . . . .
C31 C -0.1701(3) 0.0889(2) 0.0266(2) 0.0387 1.0000 Uani . . . . . .
C32 C -0.1022(3) 0.1462(2) 0.0987(2) 0.0321 1.0000 Uani . . . . . .
C33 C 0.0634(3) 0.2399(2) 0.29023(18) 0.0290 1.0000 Uani . . . . . .
C34 C 0.0334(3) 0.3038(2) 0.3363(2) 0.0364 1.0000 Uani . . . . . .
C35 C 0.0046(3) 0.2825(3) 0.4107(2) 0.0480 1.0000 Uani . . . . . .
C36 C 0.0050(3) 0.1982(3) 0.4373(2) 0.0545 1.0000 Uani . . . . . .
C37 C 0.0334(4) 0.1345(3) 0.3908(2) 0.0538 1.0000 Uani . . . . . .
C38 C 0.0631(3) 0.1557(2) 0.3174(2) 0.0416 1.0000 Uani . . . . . .
C39 C 0.5636(2) 0.16365(17) 0.24067(16) 0.0214 1.0000 Uani . . . . . .
C40 C 0.6679(3) 0.12860(19) 0.28047(19) 0.0289 1.0000 Uani . . . . . .
C41 C 0.6966(3) 0.0616(2) 0.2374(2) 0.0356 1.0000 Uani . . . . . .
C42 C 0.6212(3) 0.0298(2) 0.1552(2) 0.0374 1.0000 Uani . . . . . .
C43 C 0.5202(3) 0.0658(2) 0.1153(2) 0.0363 1.0000 Uani . . . . . .
C44 C 0.4903(3) 0.13273(19) 0.15745(18) 0.0285 1.0000 Uani . . . . . .
C46 C 0.6216(3) 0.08311(19) 0.57197(18) 0.0299 1.0000 Uani . . . . . .
C47 C 0.6905(3) 0.0677(2) 0.5105(2) 0.0357 1.0000 Uani . . . . . .
C48 C 0.6282(3) 0.0350(2) 0.6433(2) 0.0361 1.0000 Uani . . . . . .
C49 C 0.5659(3) 0.0535(2) 0.69875(19) 0.0369 1.0000 Uani . . . . . .
C50 C 0.4981(3) 0.1186(2) 0.68306(19) 0.0342 1.0000 Uani . . . . . .
C51 C 0.4939(3) 0.16481(18) 0.61069(17) 0.0279 1.0000 Uani . . . . . .
C52 C 0.4241(3) 0.23813(19) 0.59137(17) 0.0287 1.0000 Uani . . . . . .
C54 C 0.3795(3) 0.35347(19) 0.50636(19) 0.0317 1.0000 Uani . . . . . .
C55 C 0.3957(3) 0.4025(2) 0.4325(2) 0.0372 1.0000 Uani . . . . . .
C56 C 0.3075(3) 0.3769(2) 0.5541(2) 0.0387 1.0000 Uani . . . . . .
C57 C 0.2919(4) 0.3279(2) 0.6202(2) 0.0438 1.0000 Uani . . . . . .
C58 C 0.3502(3) 0.2572(2) 0.6395(2) 0.0389 1.0000 Uani . . . . . .
C74 C 0.0361(4) -0.1227(3) 0.2809(3) 0.0607 1.0000 Uani . . . . . .
C75 C -0.0575(5) -0.1661(4) 0.3222(3) 0.0743 1.0000 Uani . . . . . .
C76 C 0.0855(4) -0.1817(3) 0.2359(2) 0.0518 1.0000 Uani . . . . . .
H41 H 0.7689 0.3624 0.3815 0.0368 1.0000 Uiso R . . . . .
H51 H 0.8883 0.4919 0.3509 0.0474 1.0000 Uiso R . . . . .
H61 H 0.8034 0.5644 0.2323 0.0454 1.0000 Uiso R . . . . .
H71 H 0.5976 0.5074 0.1430 0.0398 1.0000 Uiso R . . . . .
H81 H 0.4821 0.3730 0.1681 0.0328 1.0000 Uiso R . . . . .
H181 H 0.4546 0.5776 0.2643 0.0481 1.0000 Uiso R . . . . .
H182 H 0.3414 0.5304 0.2926 0.0481 1.0000 Uiso R . . . . .
H183 H 0.3669 0.4902 0.2145 0.0481 1.0000 Uiso R . . . . .
H191 H 0.4259 0.7075 0.1946 0.0445 1.0000 Uiso R . . . . .
H201 H 0.2933 0.7866 0.1067 0.0529 1.0000 Uiso R . . . . .
H211 H 0.0775 0.7240 0.0526 0.0486 1.0000 Uiso R . . . . .
H221 H -0.1169 0.6619 0.0115 0.0433 1.0000 Uiso R . . . . .
H231 H -0.3265 0.5821 -0.0424 0.0465 1.0000 Uiso R . . . . .
H241 H -0.3796 0.4351 -0.0109 0.0430 1.0000 Uiso R . . . . .
H261 H -0.1568 0.3243 0.1256 0.0445 1.0000 Uiso R . . . . .
H262 H -0.2886 0.3377 0.1234 0.0445 1.0000 Uiso R . . . . .
H263 H -0.2700 0.2970 0.0428 0.0445 1.0000 Uiso R . . . . .
H281 H 0.1660 0.1936 0.0576 0.0348 1.0000 Uiso R . . . . .
H291 H 0.0485 0.0980 -0.0641 0.0426 1.0000 Uiso R . . . . .
H301 H -0.1631 0.0332 -0.0837 0.0459 1.0000 Uiso R . . . . .
H311 H -0.2556 0.0612 0.0189 0.0465 1.0000 Uiso R . . . . .
H321 H -0.1411 0.1584 0.1397 0.0387 1.0000 Uiso R . . . . .
H341 H 0.0326 0.3614 0.3171 0.0440 1.0000 Uiso R . . . . .
H351 H -0.0154 0.3258 0.4428 0.0581 1.0000 Uiso R . . . . .
H361 H -0.0143 0.1839 0.4883 0.0656 1.0000 Uiso R . . . . .
H371 H 0.0323 0.0765 0.4094 0.0645 1.0000 Uiso R . . . . .
H381 H 0.0834 0.1124 0.2855 0.0499 1.0000 Uiso R . . . . .
H401 H 0.7190 0.1503 0.3370 0.0347 1.0000 Uiso R . . . . .
H411 H 0.7680 0.0381 0.2642 0.0431 1.0000 Uiso R . . . . .
H421 H 0.6394 -0.0171 0.1263 0.0448 1.0000 Uiso R . . . . .
H431 H 0.4700 0.0446 0.0585 0.0442 1.0000 Uiso R . . . . .
H441 H 0.4205 0.1574 0.1296 0.0344 1.0000 Uiso R . . . . .
H471 H 0.7338 0.0216 0.5281 0.0434 1.0000 Uiso R . . . . .
H472 H 0.7493 0.1208 0.5095 0.0434 1.0000 Uiso R . . . . .
H473 H 0.6319 0.0511 0.4551 0.0434 1.0000 Uiso R . . . . .
H481 H 0.6754 -0.0099 0.6535 0.0435 1.0000 Uiso R . . . . .
H491 H 0.5695 0.0211 0.7475 0.0442 1.0000 Uiso R . . . . .
H501 H 0.4551 0.1321 0.7211 0.0410 1.0000 Uiso R . . . . .
H551 H 0.3515 0.4490 0.4260 0.0448 1.0000 Uiso R . . . . .
H552 H 0.4827 0.4268 0.4421 0.0448 1.0000 Uiso R . . . . .
H553 H 0.3633 0.3629 0.3822 0.0448 1.0000 Uiso R . . . . .
H561 H 0.2693 0.4262 0.5411 0.0464 1.0000 Uiso R . . . . .
H571 H 0.2415 0.3425 0.6525 0.0526 1.0000 Uiso R . . . . .
H581 H 0.3397 0.2224 0.6847 0.0471 1.0000 Uiso R . . . . .
H751 H -0.0708 -0.2288 0.3135 0.0897 1.0000 Uiso R . . . . .
H752 H -0.0267 -0.1485 0.3816 0.0897 1.0000 Uiso R . . . . .
H753 H -0.1347 -0.1485 0.2978 0.0897 1.0000 Uiso R . . . . .
H761 H 0.0495 -0.2418 0.2409 0.0621 1.0000 Uiso R . . . . .
H762 H 0.1745 -0.1709 0.2603 0.0621 1.0000 Uiso R . . . . .
H763 H 0.0648 -0.1707 0.1774 0.0621 1.0000 Uiso R . . . . .

_refine_ls_extinction_method     None
_oxford_refine_ls_scale          0.082122(14)
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ag1 . P2 . 2.3475(6) yes
Ag1 . F5 . 2.912(2) yes
Ag1 . F6 . 2.892(2) yes
Ag1 . N1 . 2.278(2) yes
Ag1 . N2 . 2.302(2) yes
Ag2 . P1 . 2.3390(7) yes
Ag2 . N3 . 2.285(2) yes
Ag2 . N4 . 2.249(2) yes
P1 . C10 . 1.763(3) yes
P1 . C27 . 1.819(3) yes
P1 . C33 . 1.816(3) yes
P2 . C3 . 1.816(3) yes
P2 . C9 . 1.761(3) yes
P2 . C39 . 1.817(3) yes
P3 . F1 . 1.5949(19) yes
P3 . F2 . 1.592(2) yes
P3 . F3 . 1.5972(19) yes
P3 . F4 . 1.599(2) yes
P3 . F5 . 1.607(2) yes
P3 . F6 . 1.6145(19) yes
P4 . F7 . 1.591(2) yes
P4 . F8 . 1.5978(19) yes
P4 . F9 . 1.606(2) yes
P4 . F10 . 1.596(2) yes
P4 . F11 . 1.589(2) yes
P4 . F12 . 1.589(2) yes
N1 . C46 . 1.342(4) yes
N1 . C51 . 1.352(4) yes
N2 . C52 . 1.339(4) yes
N2 . C54 . 1.348(4) yes
N3 . C14 . 1.347(4) yes
N3 . C25 . 1.341(4) yes
N4 . C15 . 1.344(4) yes
N4 . C17 . 1.344(4) yes
O1 . C74 . 1.191(6) yes
C3 . C4 . 1.390(4) yes
C3 . C8 . 1.394(4) yes
C4 . C5 . 1.385(4) yes
C4 . H41 . 0.950 no
C5 . C6 . 1.376(5) yes
C5 . H51 . 0.950 no
C6 . C7 . 1.392(5) yes
C6 . H61 . 0.950 no
C7 . C8 . 1.383(4) yes
C7 . H71 . 0.950 no
C8 . H81 . 0.950 no
C9 . C10 . 1.205(4) yes
C14 . C15 . 1.496(4) yes
C14 . C22 . 1.389(4) yes
C15 . C21 . 1.406(4) yes
C17 . C18 . 1.489(4) yes
C17 . C19 . 1.396(4) yes
C18 . H181 . 0.950 no
C18 . H182 . 0.950 no
C18 . H183 . 0.950 no
C19 . C20 . 1.364(5) yes
C19 . H191 . 0.950 no
C20 . C21 . 1.379(5) yes
C20 . H201 . 0.950 no
C21 . H211 . 0.950 no
C22 . C23 . 1.386(5) yes
C22 . H221 . 0.950 no
C23 . C24 . 1.377(5) yes
C23 . H231 . 0.950 no
C24 . C25 . 1.393(4) yes
C24 . H241 . 0.950 no
C25 . C26 . 1.503(5) yes
C26 . H261 . 0.950 no
C26 . H262 . 0.950 no
C26 . H263 . 0.950 no
C27 . C28 . 1.398(4) yes
C27 . C32 . 1.402(4) yes
C28 . C29 . 1.389(4) yes
C28 . H281 . 0.950 no
C29 . C30 . 1.387(5) yes
C29 . H291 . 0.950 no
C30 . C31 . 1.382(5) yes
C30 . H301 . 0.950 no
C31 . C32 . 1.387(5) yes
C31 . H311 . 0.950 no
C32 . H321 . 0.950 no
C33 . C34 . 1.392(4) yes
C33 . C38 . 1.382(5) yes
C34 . C35 . 1.392(5) yes
C34 . H341 . 0.950 no
C35 . C36 . 1.383(6) yes
C35 . H351 . 0.950 no
C36 . C37 . 1.385(6) yes
C36 . H361 . 0.950 no
C37 . C38 . 1.382(5) yes
C37 . H371 . 0.950 no
C38 . H381 . 0.950 no
C39 . C40 . 1.395(4) yes
C39 . C44 . 1.390(4) yes
C40 . C41 . 1.392(4) yes
C40 . H401 . 0.950 no
C41 . C42 . 1.386(5) yes
C41 . H411 . 0.950 no
C42 . C43 . 1.376(5) yes
C42 . H421 . 0.950 no
C43 . C44 . 1.390(4) yes
C43 . H431 . 0.950 no
C44 . H441 . 0.950 no
C46 . C47 . 1.502(4) yes
C46 . C48 . 1.393(4) yes
C47 . H471 . 0.950 no
C47 . H472 . 0.950 no
C47 . H473 . 0.950 no
C48 . C49 . 1.377(5) yes
C48 . H481 . 0.950 no
C49 . C50 . 1.373(5) yes
C49 . H491 . 0.950 no
C50 . C51 . 1.395(4) yes
C50 . H501 . 0.950 no
C51 . C52 . 1.499(4) yes
C52 . C58 . 1.389(4) yes
C54 . C55 . 1.484(4) yes
C54 . C56 . 1.391(4) yes
C55 . H551 . 0.950 no
C55 . H552 . 0.950 no
C55 . H553 . 0.950 no
C56 . C57 . 1.372(5) yes
C56 . H561 . 0.950 no
C57 . C58 . 1.386(5) yes
C57 . H571 . 0.950 no
C58 . H581 . 0.950 no
C74 . C75 . 1.489(7) yes
C74 . C76 . 1.463(6) yes
C75 . H751 . 0.950 no
C75 . H752 . 0.950 no
C75 . H753 . 0.950 no
C76 . H761 . 0.950 no
C76 . H762 . 0.950 no
C76 . H763 . 0.950 no
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_site_symmetry_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
P2 . Ag1 . F5 . 102.34(4) yes
P2 . Ag1 . F6 . 104.02(4) yes
F5 . Ag1 . F6 . 45.58(5) yes
P2 . Ag1 . N1 . 150.29(6) yes
F5 . Ag1 . N1 . 102.08(7) yes
F6 . Ag1 . N1 . 81.66(7) yes
P2 . Ag1 . N2 . 129.72(6) yes
F5 . Ag1 . N2 . 75.19(7) yes
F6 . Ag1 . N2 . 107.57(7) yes
N1 . Ag1 . N2 . 73.25(9) yes
P1 . Ag2 . N3 . 135.41(7) yes
P1 . Ag2 . N4 . 150.53(7) yes
N3 . Ag2 . N4 . 73.63(9) yes
Ag2 . P1 . C10 . 116.15(9) yes
Ag2 . P1 . C27 . 114.23(9) yes
C10 . P1 . C27 . 102.09(13) yes
Ag2 . P1 . C33 . 112.58(10) yes
C10 . P1 . C33 . 102.56(13) yes
C27 . P1 . C33 . 108.04(13) yes
Ag1 . P2 . C3 . 117.22(8) yes
Ag1 . P2 . C9 . 105.74(9) yes
C3 . P2 . C9 . 102.70(12) yes
Ag1 . P2 . C39 . 119.34(9) yes
C3 . P2 . C39 . 105.70(11) yes
C9 . P2 . C39 . 104.09(12) yes
F1 . P3 . F2 . 90.55(11) yes
F1 . P3 . F3 . 179.28(11) yes
F2 . P3 . F3 . 89.90(11) yes
F1 . P3 . F4 . 90.77(11) yes
F2 . P3 . F4 . 90.36(13) yes
F3 . P3 . F4 . 89.78(12) yes
F1 . P3 . F5 . 89.79(11) yes
F2 . P3 . F5 . 179.23(13) yes
F3 . P3 . F5 . 89.75(11) yes
F4 . P3 . F5 . 90.33(12) yes
F1 . P3 . F6 . 89.76(11) yes
F2 . P3 . F6 . 90.81(12) yes
F3 . P3 . F6 . 89.67(11) yes
F4 . P3 . F6 . 178.71(12) yes
F5 . P3 . F6 . 88.51(11) yes
F7 . P4 . F8 . 88.90(12) yes
F7 . P4 . F9 . 90.79(14) yes
F8 . P4 . F9 . 88.55(12) yes
F7 . P4 . F10 . 89.48(13) yes
F8 . P4 . F10 . 90.34(12) yes
F9 . P4 . F10 . 178.85(14) yes
F7 . P4 . F11 . 179.28(13) yes
F8 . P4 . F11 . 90.42(12) yes
F9 . P4 . F11 . 88.96(12) yes
F10 . P4 . F11 . 90.76(12) yes
F7 . P4 . F12 . 91.05(14) yes
F8 . P4 . F12 . 178.73(14) yes
F9 . P4 . F12 . 90.19(15) yes
F10 . P4 . F12 . 90.93(15) yes
F11 . P4 . F12 . 89.62(14) yes
P3 . F5 . Ag1 . 108.47(9) yes
P3 . F6 . Ag1 . 109.13(9) yes
Ag1 . N1 . C46 . 124.20(19) yes
Ag1 . N1 . C51 . 116.16(18) yes
C46 . N1 . C51 . 119.6(2) yes
Ag1 . N2 . C52 . 115.86(19) yes
Ag1 . N2 . C54 . 123.74(19) yes
C52 . N2 . C54 . 120.3(3) yes
Ag2 . N3 . C14 . 115.2(2) yes
Ag2 . N3 . C25 . 124.13(19) yes
C14 . N3 . C25 . 120.4(3) yes
Ag2 . N4 . C15 . 116.43(19) yes
Ag2 . N4 . C17 . 123.30(19) yes
C15 . N4 . C17 . 119.9(2) yes
P2 . C3 . C4 . 117.7(2) yes
P2 . C3 . C8 . 122.8(2) yes
C4 . C3 . C8 . 119.5(3) yes
C3 . C4 . C5 . 120.2(3) yes
C3 . C4 . H41 . 119.9 no
C5 . C4 . H41 . 119.9 no
C4 . C5 . C6 . 120.2(3) yes
C4 . C5 . H51 . 119.9 no
C6 . C5 . H51 . 119.9 no
C5 . C6 . C7 . 120.0(3) yes
C5 . C6 . H61 . 120.0 no
C7 . C6 . H61 . 120.0 no
C6 . C7 . C8 . 120.1(3) yes
C6 . C7 . H71 . 119.9 no
C8 . C7 . H71 . 120.0 no
C3 . C8 . C7 . 119.9(3) yes
C3 . C8 . H81 . 120.0 no
C7 . C8 . H81 . 120.1 no
P2 . C9 . C10 . 170.4(2) yes
P1 . C10 . C9 . 173.8(2) yes
N3 . C14 . C15 . 117.0(2) yes
N3 . C14 . C22 . 120.9(3) yes
C15 . C14 . C22 . 122.2(3) yes
C14 . C15 . N4 . 117.0(2) yes
C14 . C15 . C21 . 122.3(3) yes
N4 . C15 . C21 . 120.7(3) yes
N4 . C17 . C18 . 117.6(3) yes
N4 . C17 . C19 . 121.2(3) yes
C18 . C17 . C19 . 121.2(3) yes
C17 . C18 . H181 . 109.3 no
C17 . C18 . H182 . 109.5 no
H181 . C18 . H182 . 109.5 no
C17 . C18 . H183 . 109.6 no
H181 . C18 . H183 . 109.5 no
H182 . C18 . H183 . 109.5 no
C17 . C19 . C20 . 119.5(3) yes
C17 . C19 . H191 . 120.3 no
C20 . C19 . H191 . 120.3 no
C19 . C20 . C21 . 119.6(3) yes
C19 . C20 . H201 . 120.3 no
C21 . C20 . H201 . 120.2 no
C15 . C21 . C20 . 119.1(3) yes
C15 . C21 . H211 . 120.4 no
C20 . C21 . H211 . 120.5 no
C14 . C22 . C23 . 119.0(3) yes
C14 . C22 . H221 . 120.6 no
C23 . C22 . H221 . 120.5 no
C22 . C23 . C24 . 119.7(3) yes
C22 . C23 . H231 . 120.2 no
C24 . C23 . H231 . 120.1 no
C23 . C24 . C25 . 119.0(3) yes
C23 . C24 . H241 . 120.5 no
C25 . C24 . H241 . 120.5 no
C24 . C25 . N3 . 121.0(3) yes
C24 . C25 . C26 . 121.4(3) yes
N3 . C25 . C26 . 117.5(3) yes
C25 . C26 . H261 . 109.4 no
C25 . C26 . H262 . 109.6 no
H261 . C26 . H262 . 109.5 no
C25 . C26 . H263 . 109.4 no
H261 . C26 . H263 . 109.5 no
H262 . C26 . H263 . 109.5 no
P1 . C27 . C28 . 120.1(2) yes
P1 . C27 . C32 . 119.9(2) yes
C28 . C27 . C32 . 119.5(3) yes
C27 . C28 . C29 . 120.4(3) yes
C27 . C28 . H281 . 119.8 no
C29 . C28 . H281 . 119.8 no
C28 . C29 . C30 . 119.7(3) yes
C28 . C29 . H291 . 120.1 no
C30 . C29 . H291 . 120.2 no
C29 . C30 . C31 . 120.2(3) yes
C29 . C30 . H301 . 119.9 no
C31 . C30 . H301 . 119.9 no
C30 . C31 . C32 . 120.8(3) yes
C30 . C31 . H311 . 119.7 no
C32 . C31 . H311 . 119.5 no
C27 . C32 . C31 . 119.4(3) yes
C27 . C32 . H321 . 120.3 no
C31 . C32 . H321 . 120.3 no
P1 . C33 . C34 . 117.9(2) yes
P1 . C33 . C38 . 121.5(2) yes
C34 . C33 . C38 . 120.5(3) yes
C33 . C34 . C35 . 119.4(3) yes
C33 . C34 . H341 . 120.3 no
C35 . C34 . H341 . 120.3 no
C34 . C35 . C36 . 119.6(3) yes
C34 . C35 . H351 . 120.1 no
C36 . C35 . H351 . 120.3 no
C35 . C36 . C37 . 120.8(3) yes
C35 . C36 . H361 . 119.5 no
C37 . C36 . H361 . 119.7 no
C36 . C37 . C38 . 119.6(4) yes
C36 . C37 . H371 . 120.1 no
C38 . C37 . H371 . 120.3 no
C33 . C38 . C37 . 120.1(4) yes
C33 . C38 . H381 . 120.0 no
C37 . C38 . H381 . 119.9 no
P2 . C39 . C40 . 117.3(2) yes
P2 . C39 . C44 . 122.9(2) yes
C40 . C39 . C44 . 119.8(2) yes
C39 . C40 . C41 . 119.9(3) yes
C39 . C40 . H401 . 120.0 no
C41 . C40 . H401 . 120.1 no
C40 . C41 . C42 . 119.9(3) yes
C40 . C41 . H411 . 120.0 no
C42 . C41 . H411 . 120.1 no
C41 . C42 . C43 . 120.2(3) yes
C41 . C42 . H421 . 119.9 no
C43 . C42 . H421 . 119.9 no
C42 . C43 . C44 . 120.7(3) yes
C42 . C43 . H431 . 119.7 no
C44 . C43 . H431 . 119.6 no
C39 . C44 . C43 . 119.6(3) yes
C39 . C44 . H441 . 120.2 no
C43 . C44 . H441 . 120.3 no
N1 . C46 . C47 . 117.1(3) yes
N1 . C46 . C48 . 121.3(3) yes
C47 . C46 . C48 . 121.7(3) yes
C46 . C47 . H471 . 109.5 no
C46 . C47 . H472 . 109.4 no
H471 . C47 . H472 . 109.5 no
C46 . C47 . H473 . 109.5 no
H471 . C47 . H473 . 109.5 no
H472 . C47 . H473 . 109.5 no
C46 . C48 . C49 . 119.2(3) yes
C46 . C48 . H481 . 120.4 no
C49 . C48 . H481 . 120.4 no
C48 . C49 . C50 . 119.7(3) yes
C48 . C49 . H491 . 120.1 no
C50 . C49 . H491 . 120.2 no
C49 . C50 . C51 . 119.0(3) yes
C49 . C50 . H501 . 120.4 no
C51 . C50 . H501 . 120.5 no
C50 . C51 . N1 . 121.2(3) yes
C50 . C51 . C52 . 121.4(3) yes
N1 . C51 . C52 . 117.3(2) yes
C51 . C52 . N2 . 117.1(3) yes
C51 . C52 . C58 . 121.7(3) yes
N2 . C52 . C58 . 121.2(3) yes
N2 . C54 . C55 . 117.9(3) yes
N2 . C54 . C56 . 120.7(3) yes
C55 . C54 . C56 . 121.4(3) yes
C54 . C55 . H551 . 109.5 no
C54 . C55 . H552 . 109.4 no
H551 . C55 . H552 . 109.5 no
C54 . C55 . H553 . 109.5 no
H551 . C55 . H553 . 109.5 no
H552 . C55 . H553 . 109.5 no
C54 . C56 . C57 . 119.4(3) yes
C54 . C56 . H561 . 120.3 no
C57 . C56 . H561 . 120.3 no
C56 . C57 . C58 . 119.6(3) yes
C56 . C57 . H571 . 120.2 no
C58 . C57 . H571 . 120.2 no
C52 . C58 . C57 . 118.8(3) yes
C52 . C58 . H581 . 120.6 no
C57 . C58 . H581 . 120.5 no
O1 . C74 . C75 . 122.8(5) yes
O1 . C74 . C76 . 120.6(5) yes
C75 . C74 . C76 . 116.6(4) yes
C74 . C75 . H751 . 109.6 no
C74 . C75 . H752 . 109.5 no
H751 . C75 . H752 . 109.5 no
C74 . C75 . H753 . 109.3 no
H751 . C75 . H753 . 109.5 no
H752 . C75 . H753 . 109.5 no
C74 . C76 . H761 . 109.6 no
C74 . C76 . H762 . 109.4 no
H761 . C76 . H762 . 109.5 no
C74 . C76 . H763 . 109.4 no
H761 . C76 . H763 . 109.5 no
H762 . C76 . H763 . 109.5 no
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_site_symmetry_D
_geom_hbond_atom_site_label_H
_geom_hbond_site_symmetry_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_angle_DHA
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_publ_flag
C38 . H381 . O1 . 137 0.95 2.39 3.147(5) yes



# Manually omitted reflections

loop_
_oxford_refln_omitted_index_h
_oxford_refln_omitted_index_k
_oxford_refln_omitted_index_l
_oxford_refln_omitted_flag
_oxford_refln_omitted_details
3 -5 4 x .
-2 4 9 x .
-6 2 0 x .
-5 0 7 x .
####################################################################### 
# 
# 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_SK153
_database_code_depnum_ccdc_archive 'CCDC 1580158'
_audit_update_record             
;
2017-10-16 deposited with the CCDC.
2017-12-13 downloaded from the CCDC.
;
_audit_creation_date             17-01-17
_audit_creation_method           CRYSTALS_ver_14.40

_oxford_structure_analysis_title 'SK153_123K in P-1'
_chemical_name_systematic        ?
_chemical_melting_point          ?

#--------------------------------------------------------------- 
# End of 'script/refcif.dat' 
#end of refcif 
_cell_length_a                   12.1355(10)
_cell_length_b                   12.5994(10)
_cell_length_c                   14.8038(12)
_cell_angle_alpha                95.415(3)
_cell_angle_beta                 112.162(3)
_cell_angle_gamma                93.696(3)
_cell_volume                     2074.6(3)

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1 '
_symmetry_space_group_name_Hall  '-P 1'
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z

loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
C 0.0181 0.0091 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
H 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998
0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
N 0.0311 0.0180 12.2126 0.0057 3.1322 9.8933 2.0125 28.9975 1.1663 0.5826
-11.5290 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
F 0.0727 0.0534 3.5392 10.2825 2.6412 4.2944 1.5170 0.2615 1.0243 26.1476
0.2776 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
P 0.2955 0.4335 6.4345 1.9067 4.1791 27.1570 1.7800 0.5260 1.4908 68.1645
1.1149 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Ag 0.1306 4.2820 19.2808 0.6446 16.6885 7.4726 4.8045 24.6605 1.0463 99.8156
5.1790 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
O 0.0492 0.0322 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.8670 32.9089
0.2508 'International Tables Vol C 4.2.6.8 and 6.1.1.4'


_cell_formula_units_Z            1

# Given Formula = C86 H46 Ag2 F12 N12 O1 P4 
# Dc =      1.47 Fooo =    952.00 Mu =     52.08 M =    915.50
# Found Formula = C88 H74 Ag2 F12 N6 O2 P6 
# Dc =      1.50 FOOO =    952.00 Mu =     55.56 M =    938.57

_chemical_formula_sum            'C88 H74 Ag2 F12 N6 O2 P6'
_chemical_formula_moiety         'C88 H74 Ag2 F12 N6 O2 P6'
_chemical_compound_source        'Sarah Keller'
_chemical_formula_weight         1877.15


_cell_measurement_reflns_used    9906
_cell_measurement_theta_min      4
_cell_measurement_theta_max      67
_cell_measurement_temperature    123

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_min          0.130
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_max          0.160

_exptl_crystal_density_diffrn    1.502
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
# Non-dispersive F(000): 
_exptl_crystal_F_000             952
_exptl_absorpt_coefficient_mu    5.556

# Sheldrick geometric approximatio 0.46 0.49 
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Siemens, 1996)'
_exptl_absorpt_correction_T_min  0.39
_exptl_absorpt_correction_T_max  0.49
_diffrn_measurement_device_type  'Bruker Kappa Apex2'
_diffrn_measurement_device       Area
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54180
_diffrn_measurement_method       'φ & ω scans'

# If a reference occurs more than once, delete the author 
# and date from subsequent references. 
_computing_data_collection       'Apex2 (Bruker AXS, 2006)'
_computing_cell_refinement       'Apex2 (Bruker AXS, 2006)'
_computing_data_reduction        'Apex2 (Bruker AXS, 2006)'
_computing_structure_solution    'Superflip (Palatinus & Chapuis, 2007)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'

_diffrn_standards_interval_time  .
_diffrn_standards_interval_count .
_diffrn_standards_number         0
_diffrn_standards_decay_%        ?

_diffrn_ambient_temperature      123
_diffrn_reflns_number            20395
_reflns_number_total             7245
_diffrn_reflns_av_R_equivalents  0.033
# Number of reflections without Friedels Law is 0 
# Number of reflections with Friedels Law is 7245 
# Theoretical number of reflections is about 14717 


_diffrn_reflns_theta_min         3.545
_diffrn_reflns_theta_max         66.763
_diffrn_measured_fraction_theta_max 0.985

_diffrn_reflns_theta_full        66.763
_diffrn_measured_fraction_theta_full 0.985


_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       17
_reflns_limit_h_min              -14
_reflns_limit_h_max              13
_reflns_limit_k_min              -14
_reflns_limit_k_max              14
_reflns_limit_l_min              0
_reflns_limit_l_max              17

_oxford_diffrn_Wilson_B_factor   0.00
_oxford_diffrn_Wilson_scale      0.00

_atom_sites_solution_primary     Other #heavy,direct,difmap,geom
# _atom_sites_solution_secondary  difmap
_atom_sites_solution_hydrogens   difmap

_refine_diff_density_min         -0.28
_refine_diff_density_max         0.41


# The current dictionary definitions do not cover the 
# situation where the reflections used for refinement were 
# selected by a user-defined sigma threshold 


# The values actually used during refinement 
_oxford_reflns_threshold_expression_ref I>0.0\s(I)
_refine_ls_number_reflns         6241
_refine_ls_number_restraints     0
_refine_ls_number_parameters     523
_oxford_refine_ls_R_factor_ref   0.0247
_refine_ls_wR_factor_ref         0.0279
_refine_ls_goodness_of_fit_ref   1.0823
_refine_ls_shift/su_max          0.0016216
_refine_ls_shift/su_mean         0.0000398


# The values computed with all filters except I/sigma 
_oxford_reflns_number_all        7210
_refine_ls_R_factor_all          0.0291
_refine_ls_wR_factor_all         0.0316

# The values computed with a 2 sigma cutoff - a la SHELX 
_reflns_threshold_expression     I>2.0σ(I)
_reflns_number_gt                6529
_refine_ls_R_factor_gt           0.0258
_refine_ls_wR_factor_gt          0.0283

# choose from: rm (reference molecule of known chirality), 
# ad (anomolous dispersion - Flack), rmad (rm and ad), 
# syn (from synthesis), unk (unknown) or . (not applicable). 
_chemical_absolute_configuration .


_refine_ls_structure_factor_coef F
_refine_ls_matrix_type           full
_refine_ls_hydrogen_treatment    constr #undef, noref, refall,
# refxyz, refU, constr or mixed
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 Method, part 1, Chebychev polynomial, (Watkin, 1994, Prince, 1982) 
 [weight] = 1.0/[A₀*T₀(x)+A₁*T₁(x) ... +Aₙ₋₁]*Tₙ₋₁(x)] 
 where Ai are the Chebychev coefficients listed below and x= Fcalc/Fmax 
 Method = Robust Weighting (Prince, 1982) 
 W = [weight] * [1-(deltaF/6*sigmaF)²]² 
 Ai are: 
 0.224 0.158 0.109 
;

# Uequiv = arithmetic mean of Ui i.e. Ueqiv = (U1+U2+U3)/3

# Replace last . with number of unfound hydrogen atoms attached to an atom.

# ..._refinement_flags_... 
# . no refinement constraints           S special position constraint on site
# G rigid group refinement of site      R riding atom
# D distance or angle restraint on site T thermal displacement constraints
# U Uiso or Uij restraint (rigid bond)  P partial occupancy constraint


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_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_attached_hydrogens
Ag1 Ag 0.889169(13) 0.674907(11) 0.331583(11) 0.0160 1.0000 Uani . . . . . .
P2 P 0.78555(4) 0.62196(4) 0.43439(3) 0.0132 1.0000 Uani . . . . . .
C3 C 0.71558(17) 0.72682(15) 0.47983(15) 0.0150 1.0000 Uani . . . . . .
C4 C 0.74101(18) 0.75613(16) 0.57916(15) 0.0170 1.0000 Uani . . . . . .
C5 C 0.68427(19) 0.83807(17) 0.60769(16) 0.0209 1.0000 Uani . . . . . .
C6 C 0.6018(2) 0.88844(18) 0.53726(18) 0.0255 1.0000 Uani . . . . . .
C7 C 0.5765(2) 0.85983(19) 0.43790(18) 0.0283 1.0000 Uani . . . . . .
C8 C 0.63465(19) 0.78021(17) 0.40884(16) 0.0218 1.0000 Uani . . . . . .
C9 C 0.87802(17) 0.57573(16) 0.54406(15) 0.0160 1.0000 Uani . . . . . .
C10 C 0.93083(17) 0.53529(16) 0.61624(15) 0.0157 1.0000 Uani . . . . . .
P1 P 0.99598(4) 0.45946(4) 0.71378(4) 0.0140 1.0000 Uani . . . . . .
C12 C 0.86512(18) 0.40528(16) 0.73272(14) 0.0167 1.0000 Uani . . . . . .
C13 C 0.8558(2) 0.29730(18) 0.74384(16) 0.0236 1.0000 Uani . . . . . .
C14 C 0.7562(2) 0.25094(19) 0.75636(18) 0.0306 1.0000 Uani . . . . . .
C15 C 0.6663(2) 0.3121(2) 0.75687(17) 0.0305 1.0000 Uani . . . . . .
C16 C 0.6745(2) 0.4197(2) 0.74516(18) 0.0309 1.0000 Uani . . . . . .
C17 C 0.7743(2) 0.46692(19) 0.73363(16) 0.0244 1.0000 Uani . . . . . .
C18 C 1.07482(17) 0.56277(16) 0.81694(15) 0.0163 1.0000 Uani . . . . . .
C19 C 1.0815(2) 0.54733(19) 0.91045(16) 0.0238 1.0000 Uani . . . . . .
C20 C 1.1488(2) 0.6218(2) 0.99076(17) 0.0314 1.0000 Uani . . . . . .
C21 C 1.2110(2) 0.7116(2) 0.97885(18) 0.0308 1.0000 Uani . . . . . .
C22 C 1.2047(2) 0.72778(19) 0.88574(18) 0.0273 1.0000 Uani . . . . . .
C23 C 1.13698(19) 0.65351(18) 0.80499(16) 0.0226 1.0000 Uani . . . . . .
C24 C 0.66999(17) 0.50779(16) 0.38701(15) 0.0160 1.0000 Uani . . . . . .
C25 C 0.6395(2) 0.45886(18) 0.29180(16) 0.0240 1.0000 Uani . . . . . .
C26 C 0.5523(2) 0.3709(2) 0.25435(18) 0.0310 1.0000 Uani . . . . . .
C27 C 0.4971(2) 0.33160(18) 0.31251(19) 0.0288 1.0000 Uani . . . . . .
C28 C 0.5296(2) 0.37936(19) 0.40830(19) 0.0294 1.0000 Uani . . . . . .
C29 C 0.6151(2) 0.46725(18) 0.44569(17) 0.0241 1.0000 Uani . . . . . .
N3 N 0.74483(18) 0.70201(15) 0.16396(14) 0.0272 1.0000 Uani . . . . . .
C31 C 0.73117(19) 0.80557(17) 0.15238(15) 0.0191 1.0000 Uani . . . . . .
C32 C 0.83306(19) 0.88574(16) 0.21581(16) 0.0190 1.0000 Uani . . . . . .
N2 N 0.90703(15) 0.85709(13) 0.30095(13) 0.0171 1.0000 Uani . . . . . .
C34 C 1.00108(19) 0.92643(17) 0.36023(16) 0.0203 1.0000 Uani . . . . . .
C35 C 1.08151(18) 0.89079(18) 0.45401(16) 0.0212 1.0000 Uani . . . . . .
N1 N 1.06689(16) 0.78640(15) 0.46307(14) 0.0227 1.0000 Uani . . . . . .
C37 C 1.1410(2) 0.7515(2) 0.54466(18) 0.0279 1.0000 Uani . . . . . .
C38 C 1.2306(2) 0.8172(2) 0.62017(18) 0.0304 1.0000 Uani . . . . . .
C39 C 1.2438(2) 0.9251(2) 0.61174(19) 0.0328 1.0000 Uani . . . . . .
C40 C 1.1686(2) 0.96242(19) 0.52803(18) 0.0280 1.0000 Uani . . . . . .
C41 C 1.0239(2) 1.02598(19) 0.33385(19) 0.0306 1.0000 Uani . . . . . .
C42 C 0.9487(2) 1.0550(2) 0.2459(2) 0.0343 1.0000 Uani . . . . . .
C43 C 0.8515(2) 0.98448(19) 0.18560(18) 0.0276 1.0000 Uani . . . . . .
C44 C 0.6286(2) 0.83675(19) 0.08271(16) 0.0238 1.0000 Uani . . . . . .
C45 C 0.5379(2) 0.7595(2) 0.02401(18) 0.0309 1.0000 Uani . . . . . .
C46 C 0.5527(3) 0.6531(2) 0.03471(19) 0.0400 1.0000 Uani . . . . . .
C47 C 0.6581(3) 0.6285(2) 0.10425(18) 0.0379 1.0000 Uani . . . . . .
P3 P 0.58853(5) 0.98494(5) -0.15709(4) 0.0258 1.0000 Uani . . . . . .
F3 F 0.71334(16) 1.02476(15) -0.16197(16) 0.0582 1.0000 Uani . . . . . .
F5 F 0.63771(14) 0.87351(11) -0.12720(12) 0.0386 1.0000 Uani . . . . . .
F6 F 0.53954(16) 1.09663(12) -0.18873(12) 0.0427 1.0000 Uani . . . . . .
F2 F 0.53889(15) 0.93663(13) -0.27090(11) 0.0427 1.0000 Uani . . . . . .
F4 F 0.46321(14) 0.94333(12) -0.15378(12) 0.0411 1.0000 Uani . . . . . .
F1 F 0.63536(19) 1.03471(13) -0.04453(11) 0.0547 1.0000 Uani . . . . . .
O1 O 1.12950(18) 0.25554(15) 0.18612(13) 0.0385 1.0000 Uani . . . . . .
C56 C 1.1235(2) 0.2354(2) 0.10341(18) 0.0311 1.0000 Uani . . . . . .
C57 C 1.0589(3) 0.1327(3) 0.0408(2) 0.0527 1.0000 Uani . . . . . .
C58 C 1.1817(3) 0.3099(2) 0.0577(2) 0.0482 1.0000 Uani . . . . . .
H41 H 0.7975 0.7223 0.6286 0.0225 1.0000 Uiso R . . . . .
H51 H 0.7019 0.8604 0.6739 0.0265 1.0000 Uiso R . . . . .
H61 H 0.5630 0.9431 0.5578 0.0321 1.0000 Uiso R . . . . .
H71 H 0.5201 0.8954 0.3901 0.0352 1.0000 Uiso R . . . . .
H81 H 0.6196 0.7622 0.3407 0.0279 1.0000 Uiso R . . . . .
H131 H 0.9187 0.2553 0.7435 0.0298 1.0000 Uiso R . . . . .
H141 H 0.7517 0.1775 0.7649 0.0383 1.0000 Uiso R . . . . .
H151 H 0.5975 0.2800 0.7646 0.0381 1.0000 Uiso R . . . . .
H161 H 0.6124 0.4610 0.7456 0.0396 1.0000 Uiso R . . . . .
H171 H 0.7804 0.5390 0.7251 0.0306 1.0000 Uiso R . . . . .
H191 H 1.0403 0.4860 0.9198 0.0305 1.0000 Uiso R . . . . .
H201 H 1.1536 0.6110 1.0544 0.0396 1.0000 Uiso R . . . . .
H211 H 1.2563 0.7615 1.0340 0.0383 1.0000 Uiso R . . . . .
H221 H 1.2466 0.7897 0.8768 0.0334 1.0000 Uiso R . . . . .
H231 H 1.1327 0.6652 0.7414 0.0294 1.0000 Uiso R . . . . .
H251 H 0.6800 0.4853 0.2524 0.0303 1.0000 Uiso R . . . . .
H261 H 0.5297 0.3375 0.1891 0.0398 1.0000 Uiso R . . . . .
H271 H 0.4368 0.2729 0.2852 0.0353 1.0000 Uiso R . . . . .
H281 H 0.4926 0.3512 0.4477 0.0384 1.0000 Uiso R . . . . .
H291 H 0.6363 0.4993 0.5103 0.0316 1.0000 Uiso R . . . . .
H371 H 1.1287 0.6767 0.5485 0.0350 1.0000 Uiso R . . . . .
H381 H 1.2808 0.7894 0.6755 0.0389 1.0000 Uiso R . . . . .
H391 H 1.3019 0.9727 0.6621 0.0401 1.0000 Uiso R . . . . .
H401 H 1.1764 1.0360 0.5221 0.0350 1.0000 Uiso R . . . . .
H411 H 1.0912 1.0728 0.3755 0.0384 1.0000 Uiso R . . . . .
H421 H 0.9626 1.1228 0.2271 0.0425 1.0000 Uiso R . . . . .
H431 H 0.7970 1.0029 0.1249 0.0335 1.0000 Uiso R . . . . .
H441 H 0.6207 0.9099 0.0745 0.0296 1.0000 Uiso R . . . . .
H451 H 0.4673 0.7791 -0.0224 0.0384 1.0000 Uiso R . . . . .
H461 H 0.4908 0.5998 -0.0058 0.0488 1.0000 Uiso R . . . . .
H471 H 0.6709 0.5546 0.1114 0.0471 1.0000 Uiso R . . . . .
H571 H 1.1123 0.0933 0.0209 0.0809 1.0000 Uiso R . . . . .
H573 H 1.0224 0.0919 0.0752 0.0817 1.0000 Uiso R . . . . .
H572 H 0.9976 0.1531 -0.0158 0.0810 1.0000 Uiso R . . . . .
H582 H 1.1239 0.3145 -0.0072 0.0757 1.0000 Uiso R . . . . .
H581 H 1.2514 0.2819 0.0536 0.0749 1.0000 Uiso R . . . . .
H583 H 1.2026 0.3795 0.0951 0.0750 1.0000 Uiso R . . . . .

_refine_ls_extinction_method     None
_oxford_refine_ls_scale          0.12706(11)
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ag1 . P1 2_766 2.4608(5) yes
Ag1 . P2 . 2.4228(5) yes
Ag1 . N3 . 2.5100(18) yes
Ag1 . N2 . 2.3934(17) yes
Ag1 . N1 . 2.5179(18) yes
P2 . C3 . 1.824(2) yes
P2 . C9 . 1.767(2) yes
P2 . C24 . 1.826(2) yes
C3 . C4 . 1.391(3) yes
C3 . C8 . 1.401(3) yes
C4 . C5 . 1.395(3) yes
C4 . H41 . 0.952 no
C5 . C6 . 1.382(3) yes
C5 . H51 . 0.932 no
C6 . C7 . 1.390(3) yes
C6 . H61 . 0.948 no
C7 . C8 . 1.388(3) yes
C7 . H71 . 0.951 no
C8 . H81 . 0.956 no
C9 . C10 . 1.200(3) yes
C10 . P1 . 1.766(2) yes
P1 . C12 . 1.816(2) yes
P1 . C18 . 1.818(2) yes
C12 . C13 . 1.388(3) yes
C12 . C17 . 1.392(3) yes
C13 . C14 . 1.391(3) yes
C13 . H131 . 0.959 no
C14 . C15 . 1.378(4) yes
C14 . H141 . 0.947 no
C15 . C16 . 1.385(4) yes
C15 . H151 . 0.954 no
C16 . C17 . 1.390(3) yes
C16 . H161 . 0.945 no
C17 . H171 . 0.931 no
C18 . C19 . 1.389(3) yes
C18 . C23 . 1.391(3) yes
C19 . C20 . 1.385(3) yes
C19 . H191 . 0.943 no
C20 . C21 . 1.382(4) yes
C20 . H201 . 0.946 no
C21 . C22 . 1.386(4) yes
C21 . H211 . 0.940 no
C22 . C23 . 1.389(3) yes
C22 . H221 . 0.951 no
C23 . H231 . 0.949 no
C24 . C25 . 1.384(3) yes
C24 . C29 . 1.391(3) yes
C25 . C26 . 1.395(3) yes
C25 . H251 . 0.961 no
C26 . C27 . 1.381(4) yes
C26 . H261 . 0.946 no
C27 . C28 . 1.384(4) yes
C27 . H271 . 0.947 no
C28 . C29 . 1.383(3) yes
C28 . H281 . 0.941 no
C29 . H291 . 0.933 no
N3 . C31 . 1.345(3) yes
N3 . C47 . 1.328(3) yes
C31 . C32 . 1.488(3) yes
C31 . C44 . 1.392(3) yes
C32 . N2 . 1.341(3) yes
C32 . C43 . 1.394(3) yes
N2 . C34 . 1.344(3) yes
C34 . C35 . 1.495(3) yes
C34 . C41 . 1.390(3) yes
C35 . N1 . 1.342(3) yes
C35 . C40 . 1.396(3) yes
N1 . C37 . 1.339(3) yes
C37 . C38 . 1.382(3) yes
C37 . H371 . 0.955 no
C38 . C39 . 1.381(4) yes
C38 . H381 . 0.932 no
C39 . C40 . 1.379(4) yes
C39 . H391 . 0.936 no
C40 . H401 . 0.942 no
C41 . C42 . 1.378(4) yes
C41 . H411 . 0.940 no
C42 . C43 . 1.378(4) yes
C42 . H421 . 0.947 no
C43 . H431 . 0.953 no
C44 . C45 . 1.377(3) yes
C44 . H441 . 0.947 no
C45 . C46 . 1.381(4) yes
C45 . H451 . 0.939 no
C46 . C47 . 1.382(4) yes
C46 . H461 . 0.945 no
C47 . H471 . 0.963 no
P3 . F3 . 1.5945(18) yes
P3 . F5 . 1.5965(15) yes
P3 . F6 . 1.6049(15) yes
P3 . F2 . 1.6017(16) yes
P3 . F4 . 1.5964(16) yes
P3 . F1 . 1.5922(16) yes
O1 . C56 . 1.200(3) yes
C56 . C57 . 1.497(4) yes
C56 . C58 . 1.494(4) yes
C57 . H571 . 0.954 no
C57 . H573 . 0.954 no
C57 . H572 . 0.957 no
C58 . H582 . 0.963 no
C58 . H581 . 0.958 no
C58 . H583 . 0.955 no
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_site_symmetry_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
P1 2_766 Ag1 . P2 . 116.286(18) yes
P1 2_766 Ag1 . N3 . 100.15(5) yes
P2 . Ag1 . N3 . 111.47(5) yes
P1 2_766 Ag1 . N2 . 121.71(4) yes
P2 . Ag1 . N2 . 121.12(4) yes
N3 . Ag1 . N2 . 68.11(6) yes
P1 2_766 Ag1 . N1 . 96.00(4) yes
P2 . Ag1 . N1 . 98.24(5) yes
N3 . Ag1 . N1 . 134.71(6) yes
N2 . Ag1 . N1 . 67.37(6) yes
Ag1 . P2 . C3 . 116.04(6) yes
Ag1 . P2 . C9 . 114.29(7) yes
C3 . P2 . C9 . 102.33(9) yes
Ag1 . P2 . C24 . 118.53(7) yes
C3 . P2 . C24 . 104.44(9) yes
C9 . P2 . C24 . 98.66(9) yes
P2 . C3 . C4 . 123.35(15) yes
P2 . C3 . C8 . 116.44(16) yes
C4 . C3 . C8 . 120.19(18) yes
C3 . C4 . C5 . 119.67(19) yes
C3 . C4 . H41 . 121.4 no
C5 . C4 . H41 . 118.9 no
C4 . C5 . C6 . 120.0(2) yes
C4 . C5 . H51 . 121.0 no
C6 . C5 . H51 . 119.0 no
C5 . C6 . C7 . 120.6(2) yes
C5 . C6 . H61 . 119.0 no
C7 . C6 . H61 . 120.5 no
C6 . C7 . C8 . 119.9(2) yes
C6 . C7 . H71 . 119.8 no
C8 . C7 . H71 . 120.2 no
C3 . C8 . C7 . 119.6(2) yes
C3 . C8 . H81 . 120.3 no
C7 . C8 . H81 . 120.1 no
P2 . C9 . C10 . 172.72(18) yes
C9 . C10 . P1 . 172.16(18) yes
C10 . P1 . Ag1 2_766 110.65(7) yes
C10 . P1 . C12 . 101.48(9) yes
Ag1 2_766 P1 . C12 . 115.24(7) yes
C10 . P1 . C18 . 102.49(9) yes
Ag1 2_766 P1 . C18 . 118.62(6) yes
C12 . P1 . C18 . 106.31(9) yes
P1 . C12 . C13 . 117.59(16) yes
P1 . C12 . C17 . 122.53(16) yes
C13 . C12 . C17 . 119.9(2) yes
C12 . C13 . C14 . 120.1(2) yes
C12 . C13 . H131 . 119.5 no
C14 . C13 . H131 . 120.4 no
C13 . C14 . C15 . 119.9(2) yes
C13 . C14 . H141 . 119.2 no
C15 . C14 . H141 . 120.9 no
C14 . C15 . C16 . 120.4(2) yes
C14 . C15 . H151 . 119.8 no
C16 . C15 . H151 . 119.8 no
C15 . C16 . C17 . 120.1(2) yes
C15 . C16 . H161 . 119.7 no
C17 . C16 . H161 . 120.2 no
C12 . C17 . C16 . 119.7(2) yes
C12 . C17 . H171 . 119.5 no
C16 . C17 . H171 . 120.8 no
P1 . C18 . C19 . 119.82(16) yes
P1 . C18 . C23 . 120.73(16) yes
C19 . C18 . C23 . 119.24(19) yes
C18 . C19 . C20 . 120.3(2) yes
C18 . C19 . H191 . 120.3 no
C20 . C19 . H191 . 119.4 no
C19 . C20 . C21 . 120.4(2) yes
C19 . C20 . H201 . 120.2 no
C21 . C20 . H201 . 119.4 no
C20 . C21 . C22 . 119.7(2) yes
C20 . C21 . H211 . 119.5 no
C22 . C21 . H211 . 120.8 no
C21 . C22 . C23 . 120.1(2) yes
C21 . C22 . H221 . 120.3 no
C23 . C22 . H221 . 119.6 no
C18 . C23 . C22 . 120.3(2) yes
C18 . C23 . H231 . 120.0 no
C22 . C23 . H231 . 119.7 no
P2 . C24 . C25 . 119.08(16) yes
P2 . C24 . C29 . 121.27(16) yes
C25 . C24 . C29 . 119.62(19) yes
C24 . C25 . C26 . 120.1(2) yes
C24 . C25 . H251 . 119.4 no
C26 . C25 . H251 . 120.5 no
C25 . C26 . C27 . 120.1(2) yes
C25 . C26 . H261 . 120.9 no
C27 . C26 . H261 . 119.0 no
C26 . C27 . C28 . 119.7(2) yes
C26 . C27 . H271 . 118.8 no
C28 . C27 . H271 . 121.6 no
C27 . C28 . C29 . 120.6(2) yes
C27 . C28 . H281 . 119.0 no
C29 . C28 . H281 . 120.3 no
C24 . C29 . C28 . 119.9(2) yes
C24 . C29 . H291 . 119.9 no
C28 . C29 . H291 . 120.2 no
Ag1 . N3 . C31 . 113.67(14) yes
Ag1 . N3 . C47 . 124.36(15) yes
C31 . N3 . C47 . 117.8(2) yes
N3 . C31 . C32 . 116.67(19) yes
N3 . C31 . C44 . 122.0(2) yes
C32 . C31 . C44 . 121.26(19) yes
C31 . C32 . N2 . 116.97(18) yes
C31 . C32 . C43 . 120.78(19) yes
N2 . C32 . C43 . 122.2(2) yes
Ag1 . N2 . C32 . 119.31(13) yes
Ag1 . N2 . C34 . 120.74(14) yes
C32 . N2 . C34 . 119.12(18) yes
N2 . C34 . C35 . 117.25(18) yes
N2 . C34 . C41 . 121.1(2) yes
C35 . C34 . C41 . 121.6(2) yes
C34 . C35 . N1 . 116.76(19) yes
C34 . C35 . C40 . 121.6(2) yes
N1 . C35 . C40 . 121.7(2) yes
Ag1 . N1 . C35 . 116.84(14) yes
Ag1 . N1 . C37 . 124.92(15) yes
C35 . N1 . C37 . 117.98(19) yes
N1 . C37 . C38 . 123.6(2) yes
N1 . C37 . H371 . 115.9 no
C38 . C37 . H371 . 120.5 no
C37 . C38 . C39 . 118.3(2) yes
C37 . C38 . H381 . 120.8 no
C39 . C38 . H381 . 120.8 no
C38 . C39 . C40 . 118.9(2) yes
C38 . C39 . H391 . 121.0 no
C40 . C39 . H391 . 120.1 no
C35 . C40 . C39 . 119.5(2) yes
C35 . C40 . H401 . 121.1 no
C39 . C40 . H401 . 119.4 no
C34 . C41 . C42 . 119.8(2) yes
C34 . C41 . H411 . 120.0 no
C42 . C41 . H411 . 120.2 no
C41 . C42 . C43 . 119.1(2) yes
C41 . C42 . H421 . 120.9 no
C43 . C42 . H421 . 120.0 no
C32 . C43 . C42 . 118.6(2) yes
C32 . C43 . H431 . 120.3 no
C42 . C43 . H431 . 121.0 no
C31 . C44 . C45 . 119.2(2) yes
C31 . C44 . H441 . 121.2 no
C45 . C44 . H441 . 119.6 no
C44 . C45 . C46 . 118.8(2) yes
C44 . C45 . H451 . 120.4 no
C46 . C45 . H451 . 120.8 no
C45 . C46 . C47 . 118.5(2) yes
C45 . C46 . H461 . 119.0 no
C47 . C46 . H461 . 122.5 no
C46 . C47 . N3 . 123.6(2) yes
C46 . C47 . H471 . 119.6 no
N3 . C47 . H471 . 116.8 no
F3 . P3 . F5 . 89.59(9) yes
F3 . P3 . F6 . 89.90(9) yes
F5 . P3 . F6 . 179.06(9) yes
F3 . P3 . F2 . 89.90(11) yes
F5 . P3 . F2 . 89.99(9) yes
F6 . P3 . F2 . 89.23(9) yes
F3 . P3 . F4 . 178.95(11) yes
F5 . P3 . F4 . 89.91(8) yes
F6 . P3 . F4 . 90.58(9) yes
F2 . P3 . F4 . 89.17(9) yes
F3 . P3 . F1 . 90.81(12) yes
F5 . P3 . F1 . 91.17(9) yes
F6 . P3 . F1 . 89.62(9) yes
F2 . P3 . F1 . 178.65(10) yes
F4 . P3 . F1 . 90.13(10) yes
O1 . C56 . C57 . 121.6(3) yes
O1 . C56 . C58 . 122.1(3) yes
C57 . C56 . C58 . 116.2(3) yes
C56 . C57 . H571 . 110.3 no
C56 . C57 . H573 . 110.1 no
H571 . C57 . H573 . 111.8 no
C56 . C57 . H572 . 105.8 no
H571 . C57 . H572 . 109.7 no
H573 . C57 . H572 . 109.0 no
C56 . C58 . H582 . 106.7 no
C56 . C58 . H581 . 109.9 no
H582 . C58 . H581 . 110.0 no
C56 . C58 . H583 . 110.4 no
H582 . C58 . H583 . 109.4 no
H581 . C58 . H583 . 110.3 no
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_site_symmetry_D
_geom_hbond_atom_site_label_H
_geom_hbond_site_symmetry_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_angle_DHA
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_publ_flag
C4 . H41 . O1 2_766 133.15(6) 0.952 2.526 3.251(4) yes


_iucr_refine_instruction_details_constraints 
;
#
# Punched on 17/01/17 at 14:51:50
#
#LIST     12                                                                    
BLOCK SCALE X'S, U'S 
RIDE C   (   4,X'S) H   (  41,X'S) 
RIDE C   (   5,X'S) H   (  51,X'S) 
RIDE C   (   6,X'S) H   (  61,X'S) 
RIDE C   (   7,X'S) H   (  71,X'S) 
RIDE C   (   8,X'S) H   (  81,X'S) 
RIDE C   (  13,X'S) H   ( 131,X'S) 
RIDE C   (  14,X'S) H   ( 141,X'S) 
RIDE C   (  15,X'S) H   ( 151,X'S) 
RIDE C   (  16,X'S) H   ( 161,X'S) 
RIDE C   (  17,X'S) H   ( 171,X'S) 
RIDE C   (  19,X'S) H   ( 191,X'S) 
RIDE C   (  20,X'S) H   ( 201,X'S) 
RIDE C   (  21,X'S) H   ( 211,X'S) 
RIDE C   (  22,X'S) H   ( 221,X'S) 
RIDE C   (  23,X'S) H   ( 231,X'S) 
RIDE C   (  25,X'S) H   ( 251,X'S) 
RIDE C   (  26,X'S) H   ( 261,X'S) 
RIDE C   (  27,X'S) H   ( 271,X'S) 
RIDE C   (  28,X'S) H   ( 281,X'S) 
RIDE C   (  29,X'S) H   ( 291,X'S) 
RIDE C   (  37,X'S) H   ( 371,X'S) 
RIDE C   (  38,X'S) H   ( 381,X'S) 
RIDE C   (  39,X'S) H   ( 391,X'S) 
RIDE C   (  40,X'S) H   ( 401,X'S) 
RIDE C   (  41,X'S) H   ( 411,X'S) 
RIDE C   (  42,X'S) H   ( 421,X'S) 
RIDE C   (  43,X'S) H   ( 431,X'S) 
RIDE C   (  44,X'S) H   ( 441,X'S) 
RIDE C   (  45,X'S) H   ( 451,X'S) 
RIDE C   (  46,X'S) H   ( 461,X'S) 
RIDE C   (  47,X'S) H   ( 471,X'S) 
RIDE C   (  57,X'S) H   ( 571,X'S) H   ( 573,X'S) H   ( 572,X'S) 
RIDE C   (  58,X'S) H   ( 582,X'S) H   ( 581,X'S) H   ( 583,X'S) 
END                                                                             
;


_iucr_refine_instruction_details_restraints 
;
#
# Punched on 17/01/17 at 14:51:50
#
#LIST     16                                                                    
NO 
REM   HREST   START (DO NOT REMOVE THIS LINE) 
REM   HREST   END (DO NOT REMOVE THIS LINE) 
END                                                                             
;
####################################################################### 
# 
# 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_CAT026_123K
_database_code_depnum_ccdc_archive 'CCDC 1580159'
_audit_update_record             
;
2017-10-16 deposited with the CCDC.
2017-12-13 downloaded from the CCDC.
;
_audit_creation_date             2016-11-08
_audit_creation_method           CRYSTALS_ver_14.61_build_5809

_oxford_structure_analysis_title 'CAT026_123K_0m in P2(1)/c'
_chemical_name_systematic        ?
_chemical_melting_point          ?
_chemical_compound_source        'Timothy Camnzind / Sarah Keller'

_exptl_crystal_recrystallization_method 
; 
DCM / Et2O
;

# start Validation Reply Form
_vrf_PLAT910_CAT026_123K         
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min)         268 Note  
RESPONSE: this is probably casued by the big cell dimensions
;

_vrf_PLAT972_CAT026_123K         
;
PROBLEM: Check Calcd Residual Density  0.85A From     Ag8       5.78 eA-3  
RESPONSE: the crystal chosen for the data collection was small and relatively
nicely diffracting, however it contains an heavy metal like Ag that is well
known to give absorption problems with longer wavelength xrays like Cu-Ka. 
This is unfortunately unavoidable! This is the cause of the A and B alerts in
the platon checkcif
;

_vrf_PLAT097_CAT026_123K         
;
PROBLEM: Check Calcd Residual Density  0.85A From     Ag8       5.78 eA-3  
RESPONSE: the crystal chosen for the data collection was small and relatively
nicely diffracting, however it contains an heavy metal like Ag that is well
known to give absorption problems with longer wavelength xrays like Cu-Ka. 
This is unfortunately unavoidable! This is the cause of the A and B alerts in
the platon checkcif
;

_vrf_PLAT971_CAT026_123K         
;
PROBLEM: Check Calcd Residual Density  0.85A From     Ag8       5.78 eA-3  
RESPONSE: the crystal chosen for the data collection was small and relatively
nicely diffracting, however it contains an heavy metal like Ag that is well
known to give absorption problems with longer wavelength xrays like Cu-Ka. 
This is unfortunately unavoidable! This is the cause of the A and B alerts in
the platon checkcif
;
_vrf_PLAT098_CAT026_123K         
;
PROBLEM: Large Reported Min.  (Negative) Residual Density      -3.69 eA-3  
RESPONSE: the crystal chosen for the data collection was small and relatively
nicely diffracting, however it contains an heavy metal like Ag that is well
known to give absorption problems with longer wavelength xrays like Cu-Ka. 
This is unfortunately unavoidable! This is the cause of the A and B alerts in
the platon checkcif
;
#end of refcif 


_cell_length_a                   23.7942(10)
_cell_length_b                   30.1578(13)
_cell_length_c                   44.766(2)
_cell_angle_alpha                90
_cell_angle_beta                 95.386(2)
_cell_angle_gamma                90
_cell_volume                     31981(2)

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1 '
_symmetry_space_group_name_Hall  '-P 2ybc'
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
-x,y+1/2,-z+1/2
x,-y+1/2,z+1/2

loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
C 0.0181 0.0091 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
H 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998
0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
N 0.0311 0.0180 12.2126 0.0057 3.1322 9.8933 2.0125 28.9975 1.1663 0.5826
-11.5290 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
F 0.0727 0.0534 3.5392 10.2825 2.6412 4.2944 1.5170 0.2615 1.0243 26.1476
0.2776 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
P 0.2955 0.4335 6.4345 1.9067 4.1791 27.1570 1.7800 0.5260 1.4908 68.1645
1.1149 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Cl 0.3639 0.7018 11.4604 0.0104 7.1964 1.1662 6.2556 18.5194 1.6455 47.7784
-9.5574 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Ag 0.1306 4.2820 19.2808 0.6446 16.6885 7.4726 4.8045 24.6605 1.0463 99.8156
5.1790 'International Tables Vol C 4.2.6.8 and 6.1.1.4'


_cell_formula_units_Z            16

# Given Formula = C82 H62 Ag2 Cl4 F12 N6 P6 
# Dc =      1.58 Fooo =  15296.00 Mu =     69.57 M =   1902.80
# Found Formula = C83 H64 Ag2 Cl2 F12 N6 P6 
# Dc =      1.53 FOOO =  14880.00 Mu =     63.38 M =   1845.93

_chemical_formula_sum            'C83 H64 Ag2 Cl2 F12 N6 P6'
_chemical_formula_moiety         'C83 H64 Ag2 Cl2 F12 N6 P6'
_chemical_formula_weight         1845.93


_cell_measurement_reflns_used    9901
_cell_measurement_theta_min      4
_cell_measurement_theta_max      70
_cell_measurement_temperature    123

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_min          0.050
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_max          0.120

_exptl_crystal_density_diffrn    1.533
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
# Non-dispersive F(000): 
_exptl_crystal_F_000             14880
_exptl_absorpt_coefficient_mu    6.338

# Sheldrick geometric approximatio 0.64 0.73 
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Siemens, 1996)'
_exptl_absorpt_correction_T_min  0.64
_exptl_absorpt_correction_T_max  0.73
_diffrn_measurement_device_type  'Bruker Kappa Apex2'
_diffrn_measurement_device       Area
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54178
_diffrn_measurement_method       'φ & ω scans'

# If a reference occurs more than once, delete the author 
# and date from subsequent references. 
_computing_data_collection       'Apex2 (Bruker AXS, 2006)'
_computing_cell_refinement       'Apex2 (Bruker AXS, 2006)'
_computing_data_reduction        'Apex2 (Bruker AXS, 2006)'
_computing_structure_solution    'Superflip (Palatinus & Chapuis, 2007)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'

_diffrn_standards_interval_time  .
_diffrn_standards_interval_count .
_diffrn_standards_number         0
_diffrn_standards_decay_%        ?

_diffrn_ambient_temperature      123
_diffrn_reflns_number            226517
_reflns_number_total             59009
_diffrn_reflns_av_R_equivalents  0.045
# Number of reflections without Friedels Law is 0 
# Number of reflections with Friedels Law is 59009 
# Theoretical number of reflections is about122051 


_diffrn_reflns_theta_min         1.865
_diffrn_reflns_theta_max         70.318
_diffrn_measured_fraction_theta_max 0.967

_diffrn_reflns_theta_full        68.000
_diffrn_measured_fraction_theta_full 0.991


_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_l_min       -54
_diffrn_reflns_limit_l_max       52
_reflns_limit_h_min              -29
_reflns_limit_h_max              28
_reflns_limit_k_min              0
_reflns_limit_k_max              36
_reflns_limit_l_min              0
_reflns_limit_l_max              54

_oxford_diffrn_Wilson_B_factor   0.00
_oxford_diffrn_Wilson_scale      0.00

_atom_sites_solution_primary     Other #heavy,direct,difmap,geom,iterative
# _atom_sites_solution_secondary  difmap
_atom_sites_solution_hydrogens   difmap

_refine_diff_density_min         -3.69
_refine_diff_density_max         6.62


# The current dictionary definitions do not cover the 
# situation where the reflections used for refinement were 
# selected by a user-defined sigma threshold 


# The values actually used during refinement 
_oxford_reflns_threshold_expression_ref I>-3.0\s(I)
_refine_ls_number_reflns         57864
_refine_ls_number_restraints     4356
_refine_ls_number_parameters     4015
_oxford_refine_ls_R_factor_ref   0.0679
_refine_ls_wR_factor_ref         0.1040
_refine_ls_goodness_of_fit_ref   0.8961
_refine_ls_shift/su_max          0.0041746
_refine_ls_shift/su_mean         0.0000483


# The values computed with all filters except I/sigma 
_oxford_reflns_number_all        58756
_refine_ls_R_factor_all          0.0699
_refine_ls_wR_factor_all         0.1046

# The values computed with a 2 sigma cutoff - a la SHELX 
_reflns_threshold_expression     I>2.0σ(I)
_reflns_number_gt                52995
_refine_ls_R_factor_gt           0.0614
_refine_ls_wR_factor_gt          0.1030

# choose from: rm (reference molecule of known chirality), 
# ad (anomolous dispersion - Flack), rmad (rm and ad), 
# syn (from synthesis), unk (unknown) or . (not applicable). 
_chemical_absolute_configuration .


_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_hydrogen_treatment    mixed #undef, noref, refall,
# refxyz, refU, constr or mixed
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 Method, part 1, Chebychev polynomial, (Watkin, 1994, Prince, 1982) 
 [weight] = 1.0/[A₀*T₀(x)+A₁*T₁(x) ... +Aₙ₋₁]*Tₙ₋₁(x)] 
 where Ai are the Chebychev coefficients listed below and x= Fcalc/Fmax 
 Method = Robust Weighting (Prince, 1982) 
 W = [weight] * [1-(deltaF/6*sigmaF)²]² 
 Ai are: 
 3.03 4.56 2.11 0.521 
;

# Uequiv = arithmetic mean of Ui i.e. Ueqiv = (U1+U2+U3)/3

# Replace last . with number of unfound hydrogen atoms attached to an atom.

# ..._refinement_flags_... 
# . no refinement constraints           S special position constraint on site
# G rigid group refinement of site      R riding atom
# D distance or angle restraint on site T thermal displacement constraints
# U Uiso or Uij restraint (rigid bond)  P partial occupancy constraint


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_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_attached_hydrogens
Ag1 Ag 0.381736(10) 0.242563(8) 0.716008(6) 0.0187 1.0000 Uani . U . . . .
Ag2 Ag 0.604427(10) 0.241624(9) 0.813198(6) 0.0207 1.0000 Uani . U . . . .
Ag3 Ag 0.369481(10) 0.493154(9) 0.544435(6) 0.0206 1.0000 Uani . U . . . .
Ag4 Ag 0.147107(10) 0.495659(8) 0.441708(6) 0.0204 1.0000 Uani . U . . . .
Ag5 Ag 0.117458(10) 0.251951(9) 0.800343(6) 0.0216 1.0000 Uani . U . . . .
Ag6 Ag -0.103162(11) 0.250339(9) 0.707798(7) 0.0258 1.0000 Uani . U . . . .
Ag7 Ag 0.360310(10) -0.002533(9) 0.542385(6) 0.0221 1.0000 Uani . U . . . .
Ag8 Ag 0.132923(12) -0.001210(9) 0.446887(7) 0.0292 1.0000 Uani . U . . . .
P1 P 0.56870(4) 0.31596(3) 0.80188(2) 0.0184 1.0000 Uani . U . . . .
P2 P 0.43028(4) 0.31286(3) 0.719015(19) 0.0172 1.0000 Uani . U . . . .
P3 P 0.56510(4) 0.16741(3) 0.80164(2) 0.0177 1.0000 Uani . U . . . .
P4 P 0.43461(4) 0.17137(3) 0.715637(19) 0.0165 1.0000 Uani . U . . . .
P5 P 0.32341(4) 0.56383(3) 0.53917(2) 0.0176 1.0000 Uani . U . . . .
P6 P 0.18512(4) 0.56732(3) 0.45623(2) 0.0181 1.0000 Uani . U . . . .
P7 P 0.19629(4) 0.42535(3) 0.453403(19) 0.0168 1.0000 Uani . U . . . .
P8 P 0.31556(4) 0.42196(3) 0.54358(2) 0.0193 1.0000 Uani . U . . . .
P9 P 0.07042(4) 0.32524(3) 0.79487(2) 0.0174 1.0000 Uani . U . . . .
P10 P -0.05732(4) 0.32406(3) 0.70812(2) 0.0188 1.0000 Uani . U . . . .
P11 P -0.05286(4) 0.18020(3) 0.71075(2) 0.0229 1.0000 Uani . U . . . .
P12 P 0.07612(4) 0.17871(3) 0.79723(2) 0.0185 1.0000 Uani . U . . . .
P13 P 0.30599(4) -0.07204(3) 0.54067(2) 0.0194 1.0000 Uani . U . . . .
P14 P 0.18009(4) -0.07456(3) 0.45268(2) 0.0215 1.0000 Uani . U . . . .
P15 P 0.17934(4) 0.06931(3) 0.45791(2) 0.0224 1.0000 Uani . U . . . .
P16 P 0.31992(4) 0.07090(3) 0.53960(2) 0.0201 1.0000 Uani . U . . . .
P17 P 0.58364(4) 0.24101(3) 0.57242(2) 0.0242 1.0000 Uani . U . . . .
P18 P 0.09206(4) -0.24026(4) 0.57224(2) 0.0262 1.0000 Uani . U . . . .
P19 P 0.08642(4) 0.26671(4) 0.56675(2) 0.0305 1.0000 Uani . U . . . .
P20 P 0.34178(4) -0.02029(3) 0.82689(2) 0.0282 1.0000 Uani . U . . . .
P21 P 0.84363(4) -0.00735(4) 0.82072(2) 0.0308 1.0000 Uani . U . . . .
P22 P 0.66508(4) 0.01666(4) 0.67596(2) 0.0310 1.0000 Uani . U . . . .
P23 P 0.57227(4) -0.24564(4) 0.58210(3) 0.0325 1.0000 Uani . U . . . .
P24 P 0.16172(4) 0.00832(4) 0.68347(2) 0.0361 1.0000 Uani . U . . . .
F1 F 0.57937(10) 0.18803(8) 0.56935(6) 0.0361 1.0000 Uani . U . . . .
F2 F 0.64557(9) 0.23920(8) 0.56098(6) 0.0365 1.0000 Uani . U . . . .
F3 F 0.58778(11) 0.29371(8) 0.57556(6) 0.0442 1.0000 Uani . U . . . .
F4 F 0.55700(9) 0.24604(8) 0.53845(5) 0.0335 1.0000 Uani . U . . . .
F5 F 0.52158(9) 0.24213(8) 0.58363(5) 0.0344 1.0000 Uani . U . . . .
F6 F 0.61084(10) 0.23553(10) 0.60631(6) 0.0464 1.0000 Uani . U . . . .
F7 F 0.15368(10) -0.23197(10) 0.56160(5) 0.0442 1.0000 Uani . U . . . .
F8 F 0.07765(10) -0.18898(8) 0.56644(5) 0.0354 1.0000 Uani . U . . . .
F9 F 0.06828(10) -0.25205(8) 0.53859(5) 0.0375 1.0000 Uani . U . . . .
F10 F 0.10721(13) -0.29104(9) 0.57870(6) 0.0489 1.0000 Uani . U . . . .
F11 F 0.03055(9) -0.24753(8) 0.58321(6) 0.0370 1.0000 Uani . U . . . .
F12 F 0.11587(9) -0.22831(9) 0.60619(5) 0.0367 1.0000 Uani . U . . . .
F13 F 0.14848(10) 0.27246(10) 0.55617(6) 0.0489 1.0000 Uani . U . . . .
F14 F 0.06129(11) 0.25961(9) 0.53263(5) 0.0393 1.0000 Uani . U . . . .
F15 F 0.02445(10) 0.26137(9) 0.57735(6) 0.0411 1.0000 Uani . U . . . .
F16 F 0.11143(10) 0.27425(10) 0.60099(5) 0.0459 1.0000 Uani . U . . . .
F17 F 0.07669(10) 0.31904(8) 0.56316(6) 0.0418 1.0000 Uani . U . . . .
F18 F 0.09568(13) 0.21448(9) 0.57036(7) 0.0546 1.0000 Uani . U . . . .
F19 F 0.30928(11) -0.01547(8) 0.79430(5) 0.0398 1.0000 Uani . U . . . .
F20 F 0.28318(10) -0.01531(8) 0.84173(6) 0.0395 1.0000 Uani . U . . . .
F21 F 0.33296(10) -0.07302(8) 0.82524(6) 0.0430 1.0000 Uani . U . . . .
F22 F 0.40005(10) -0.02565(9) 0.81181(6) 0.0457 1.0000 Uani . U . . . .
F23 F 0.34995(11) 0.03221(8) 0.82818(6) 0.0394 1.0000 Uani . U . . . .
F24 F 0.37458(12) -0.02513(11) 0.85947(6) 0.0546 1.0000 Uani . U . . . .
F25 F 0.82406(11) 0.00269(8) 0.78614(5) 0.0393 1.0000 Uani . U . . . .
F26 F 0.77984(10) -0.00344(10) 0.82876(6) 0.0446 1.0000 Uani . U . . . .
F27 F 0.83420(13) -0.05944(9) 0.81477(6) 0.0506 1.0000 Uani . U . . . .
F28 F 0.86376(10) -0.01782(11) 0.85529(5) 0.0476 1.0000 Uani . U . . . .
F29 F 0.90702(10) -0.01181(12) 0.81290(6) 0.0597 1.0000 Uani . U . . . .
F30 F 0.85134(14) 0.04423(10) 0.82705(7) 0.0579 1.0000 Uani . U . . . .
F31 F 0.60387(10) 0.02287(12) 0.68755(7) 0.0573 1.0000 Uani . U . . . .
F32 F 0.67741(11) 0.06832(8) 0.68074(6) 0.0435 1.0000 Uani . U . . . .
F33 F 0.72593(10) 0.00994(8) 0.66449(6) 0.0375 1.0000 Uani . U . . . .
F34 F 0.65375(14) -0.03545(10) 0.67156(7) 0.0619 1.0000 Uani . U . . . .
F35 F 0.63927(12) 0.02639(13) 0.64229(6) 0.0661 1.0000 Uani . U . . . .
F36 F 0.69060(10) 0.00721(7) 0.70971(5) 0.0327 1.0000 Uani . U . . . .
F37 F 0.57156(11) -0.19473(8) 0.57351(5) 0.0384 1.0000 Uani . U . . . .
F38 F 0.51143(10) -0.24076(9) 0.59392(7) 0.0467 1.0000 Uani . U . . . .
F39 F 0.63351(9) -0.25054(8) 0.57013(6) 0.0406 1.0000 Uani . U . . . .
F40 F 0.57324(15) -0.29615(10) 0.59150(11) 0.0916 1.0000 Uani . U . . . .
F41 F 0.60103(12) -0.23277(13) 0.61481(6) 0.0666 1.0000 Uani . U . . . .
F42 F 0.54424(11) -0.25736(11) 0.54930(7) 0.0606 1.0000 Uani . U . . . .
F43 F 0.16726(13) 0.06098(10) 0.68722(8) 0.0598 1.0000 Uani . U . . . .
F44 F 0.13459(12) 0.01490(13) 0.64951(6) 0.0673 1.0000 Uani . U . . . .
F45 F 0.15850(16) -0.04432(11) 0.67956(7) 0.0700 1.0000 Uani . U . . . .
F46 F 0.18904(11) 0.00196(9) 0.71700(5) 0.0431 1.0000 Uani . U . . . .
F47 F 0.10068(12) 0.00870(15) 0.69464(7) 0.0762 1.0000 Uani . U . . . .
F48 F 0.22314(10) 0.00730(9) 0.67192(6) 0.0427 1.0000 Uani . U . . . .
Cl1 Cl 0.00026(7) 0.45437(5) 0.74813(3) 0.0642 1.0000 Uani . U . . . .
Cl2 Cl 0.01098(8) 0.54919(5) 0.74766(6) 0.0985 1.0000 Uani . U . . . .
Cl3 Cl 0.75280(11) 0.28636(8) 0.48699(5) 0.0673 0.6500 Uani . U . . 1 .
Cl4 Cl 0.78021(15) 0.21804(12) 0.52917(9) 0.1084 0.6500 Uani . U . . 1 .
Cl5 Cl 0.51090(12) -0.02123(12) 0.76796(6) 0.1552 1.0000 Uani . U . . . .
Cl6 Cl 0.4538(2) 0.01106(15) 0.71528(6) 0.2556 1.0000 Uani . U . . . .
N1 N 0.32002(13) 0.24880(11) 0.66835(7) 0.0295 1.0000 Uani . U . . . .
N2 N 0.28774(12) 0.21540(10) 0.72081(7) 0.0219 1.0000 Uani . U . . . .
N3 N 0.36588(13) 0.22265(11) 0.76884(7) 0.0252 1.0000 Uani . U . . . .
N4 N 0.65334(13) 0.24073(11) 0.86231(7) 0.0271 1.0000 Uani . U . . . .
N5 N 0.70391(12) 0.22545(10) 0.81031(7) 0.0215 1.0000 Uani . U . . . .
N6 N 0.63892(14) 0.23555(11) 0.75698(7) 0.0290 1.0000 Uani . U . . . .
N7 N 0.41112(14) 0.47347(11) 0.49871(7) 0.0303 1.0000 Uani . U . . . .
N8 N 0.45873(12) 0.46032(11) 0.55575(7) 0.0255 1.0000 Uani . U . . . .
N9 N 0.41821(14) 0.50988(12) 0.60177(7) 0.0322 1.0000 Uani . U . . . .
N10 N 0.10174(13) 0.49212(11) 0.39100(7) 0.0277 1.0000 Uani . U . . . .
N11 N 0.05020(12) 0.47685(10) 0.44234(7) 0.0234 1.0000 Uani . U . . . .
N12 N 0.11111(13) 0.48773(11) 0.49753(7) 0.0270 1.0000 Uani . U . . . .
N13 N 0.14706(13) 0.26477(11) 0.74703(7) 0.0278 1.0000 Uani . U . . . .
N14 N 0.21254(12) 0.27819(10) 0.79936(7) 0.0235 1.0000 Uani . U . . . .
N15 N 0.16851(13) 0.25141(11) 0.85113(7) 0.0312 1.0000 Uani . U . . . .
N16 N -0.12677(13) 0.26789(11) 0.76073(8) 0.0296 1.0000 Uani . U . . . .
N17 N -0.20019(12) 0.27382(10) 0.71062(8) 0.0279 1.0000 Uani . U . . . .
N18 N -0.16186(15) 0.24069(13) 0.65951(9) 0.0419 1.0000 Uani . U . . . .
N19 N 0.41557(14) 0.00416(12) 0.59151(7) 0.0315 1.0000 Uani . U . . . .
N20 N 0.45553(12) -0.02691(10) 0.54002(7) 0.0231 1.0000 Uani . U . . . .
N21 N 0.38409(13) -0.01913(11) 0.48955(7) 0.0276 1.0000 Uani . U . . . .
N22 N 0.09898(15) -0.01852(12) 0.49805(8) 0.0374 1.0000 Uani . U . . . .
N23 N 0.03670(13) -0.02900(11) 0.44441(8) 0.0297 1.0000 Uani . U . . . .
N24 N 0.08455(15) 0.00471(13) 0.39617(8) 0.0400 1.0000 Uani . U . . . .
C3 C 0.48163(14) 0.31428(11) 0.74997(8) 0.0190 1.0000 Uani . U . . . .
C4 C 0.51903(14) 0.31434(11) 0.76988(8) 0.0188 1.0000 Uani . U . . . .
C8 C 0.52541(14) 0.13439(12) 0.82637(8) 0.0211 1.0000 Uani . U . . . .
C9 C 0.51385(17) 0.14966(14) 0.85436(9) 0.0295 1.0000 Uani . U . . . .
C10 C 0.48461(18) 0.12326(16) 0.87304(9) 0.0366 1.0000 Uani . U . . . .
C11 C 0.46704(17) 0.08144(16) 0.86390(10) 0.0360 1.0000 Uani . U . . . .
C12 C 0.47869(18) 0.06521(15) 0.83650(10) 0.0348 1.0000 Uani . U . . . .
C13 C 0.50785(16) 0.09139(14) 0.81774(9) 0.0296 1.0000 Uani . U . . . .
C14 C 0.51962(14) 0.16569(11) 0.76792(8) 0.0186 1.0000 Uani . U . . . .
C15 C 0.48762(14) 0.16674(11) 0.74576(8) 0.0183 1.0000 Uani . U . . . .
C17 C 0.38835(15) 0.12503(12) 0.72265(8) 0.0207 1.0000 Uani . U . . . .
C18 C 0.38393(16) 0.10919(13) 0.75162(9) 0.0268 1.0000 Uani . U . . . .
C19 C 0.34356(19) 0.07724(14) 0.75653(11) 0.0375 1.0000 Uani . U . . . .
C20 C 0.30836(19) 0.06118(15) 0.73275(12) 0.0439 1.0000 Uani . U . . . .
C21 C 0.31248(18) 0.07675(16) 0.70419(11) 0.0414 1.0000 Uani . U . . . .
C22 C 0.35206(16) 0.10921(14) 0.69898(9) 0.0298 1.0000 Uani . U . . . .
C23 C 0.47095(15) 0.15736(11) 0.68283(8) 0.0207 1.0000 Uani . U . . . .
C24 C 0.44831(18) 0.17450(13) 0.65545(9) 0.0301 1.0000 Uani . U . . . .
C25 C 0.4762(2) 0.16790(15) 0.62980(10) 0.0423 1.0000 Uani . U . . . .
C26 C 0.5266(2) 0.14519(15) 0.63144(11) 0.0429 1.0000 Uani . U . . . .
C27 C 0.54869(18) 0.12765(15) 0.65846(10) 0.0379 1.0000 Uani . U . . . .
C28 C 0.52124(16) 0.13342(13) 0.68458(9) 0.0287 1.0000 Uani . U . . . .
C29 C 0.62109(14) 0.12906(12) 0.79401(8) 0.0210 1.0000 Uani . U . . . .
C30 C 0.62477(19) 0.10859(15) 0.76670(10) 0.0373 1.0000 Uani . U . . . .
C31 C 0.6689(2) 0.07960(18) 0.76280(11) 0.0496 1.0000 Uani . U . . . .
C32 C 0.70894(18) 0.07078(15) 0.78596(11) 0.0402 1.0000 Uani . U . . . .
C33 C 0.70580(16) 0.09136(14) 0.81315(10) 0.0335 1.0000 Uani . U . . . .
C34 C 0.66277(16) 0.12091(13) 0.81731(9) 0.0274 1.0000 Uani . U . . . .
C36 C 0.72444(15) 0.20941(12) 0.78547(9) 0.0242 1.0000 Uani . U . . . .
C37 C 0.77837(16) 0.19084(14) 0.78641(10) 0.0320 1.0000 Uani . U . . . .
C38 C 0.81091(17) 0.18850(15) 0.81337(10) 0.0364 1.0000 Uani . U . . . .
C39 C 0.78989(16) 0.20475(14) 0.83906(10) 0.0328 1.0000 Uani . U . . . .
C40 C 0.73578(15) 0.22301(13) 0.83679(9) 0.0248 1.0000 Uani . U . . . .
C41 C 0.71017(15) 0.23959(13) 0.86374(8) 0.0258 1.0000 Uani . U . . . .
C43 C 0.62930(17) 0.25291(16) 0.88682(9) 0.0360 1.0000 Uani . U . . . .
C44 C 0.65950(19) 0.26514(17) 0.91343(10) 0.0411 1.0000 Uani . U . . . .
C45 C 0.71788(19) 0.26489(17) 0.91455(10) 0.0419 1.0000 Uani . U . . . .
C46 C 0.74329(18) 0.25227(16) 0.88956(10) 0.0386 1.0000 Uani . U . . . .
C47 C 0.68711(16) 0.21239(13) 0.75665(9) 0.0262 1.0000 Uani . U . . . .
C49 C 0.60517(17) 0.23859(15) 0.73160(9) 0.0329 1.0000 Uani . U . . . .
C50 C 0.61692(19) 0.21932(15) 0.70486(9) 0.0365 1.0000 Uani . U . . . .
C51 C 0.6657(2) 0.19544(18) 0.70459(10) 0.0464 1.0000 Uani . U . . . .
C52 C 0.70151(19) 0.19204(16) 0.73072(10) 0.0404 1.0000 Uani . U . . . .
C53 C 0.52544(15) 0.34966(13) 0.82451(8) 0.0225 1.0000 Uani . U . . . .
C54 C 0.49876(17) 0.33129(15) 0.84790(9) 0.0334 1.0000 Uani . U . . . .
C55 C 0.45969(19) 0.35634(16) 0.86240(10) 0.0403 1.0000 Uani . U . . . .
C56 C 0.44724(19) 0.39902(16) 0.85284(10) 0.0380 1.0000 Uani . U . . . .
C57 C 0.47346(18) 0.41822(14) 0.83005(10) 0.0353 1.0000 Uani . U . . . .
C58 C 0.51267(17) 0.39388(13) 0.81622(9) 0.0308 1.0000 Uani . U . . . .
C59 C 0.62099(15) 0.35525(12) 0.79096(8) 0.0234 1.0000 Uani . U . . . .
C60 C 0.61553(17) 0.37875(15) 0.76429(10) 0.0338 1.0000 Uani . U . . . .
C61 C 0.6554(2) 0.41108(17) 0.75854(12) 0.0480 1.0000 Uani . U . . . .
C62 C 0.6999(2) 0.41981(18) 0.77932(14) 0.0535 1.0000 Uani . U . . . .
C63 C 0.70608(19) 0.39602(17) 0.80573(13) 0.0489 1.0000 Uani . U . . . .
C64 C 0.66737(17) 0.36338(15) 0.81131(10) 0.0362 1.0000 Uani . U . . . .
C65 C 0.38947(15) 0.36294(11) 0.72412(8) 0.0208 1.0000 Uani . U . . . .
C66 C 0.39981(17) 0.39076(14) 0.74875(10) 0.0334 1.0000 Uani . U . . . .
C67 C 0.36503(19) 0.42679(16) 0.75253(12) 0.0445 1.0000 Uani . U . . . .
C68 C 0.31944(19) 0.43532(15) 0.73175(11) 0.0412 1.0000 Uani . U . . . .
C69 C 0.30832(18) 0.40769(15) 0.70732(10) 0.0377 1.0000 Uani . U . . . .
C70 C 0.34287(17) 0.37132(14) 0.70368(9) 0.0302 1.0000 Uani . U . . . .
C71 C 0.47697(14) 0.32444(12) 0.68988(8) 0.0199 1.0000 Uani . U . . . .
C72 C 0.48681(17) 0.29096(14) 0.66985(9) 0.0294 1.0000 Uani . U . . . .
C73 C 0.5261(2) 0.29713(17) 0.64888(10) 0.0422 1.0000 Uani . U . . . .
C74 C 0.55526(19) 0.33637(19) 0.64870(11) 0.0474 1.0000 Uani . U . . . .
C75 C 0.54629(17) 0.36963(17) 0.66852(10) 0.0399 1.0000 Uani . U . . . .
C76 C 0.50706(16) 0.36418(14) 0.68926(9) 0.0290 1.0000 Uani . U . . . .
C78 C 0.25320(15) 0.20976(13) 0.69589(9) 0.0253 1.0000 Uani . U . . . .
C79 C 0.26686(15) 0.23443(12) 0.66851(9) 0.0255 1.0000 Uani . U . . . .
C81 C 0.33477(19) 0.26996(16) 0.64411(10) 0.0389 1.0000 Uani . U . . . .
C82 C 0.2973(2) 0.27799(17) 0.61881(10) 0.0429 1.0000 Uani . U . . . .
C83 C 0.24285(19) 0.26339(17) 0.61894(10) 0.0420 1.0000 Uani . U . . . .
C84 C 0.22681(17) 0.24198(15) 0.64420(9) 0.0346 1.0000 Uani . U . . . .
C85 C 0.20654(17) 0.18133(14) 0.69501(10) 0.0334 1.0000 Uani . U . . . .
C86 C 0.19701(18) 0.15802(16) 0.72074(11) 0.0406 1.0000 Uani . U . . . .
C87 C 0.23233(17) 0.16385(14) 0.74622(10) 0.0326 1.0000 Uani . U . . . .
C88 C 0.27782(15) 0.19318(12) 0.74581(9) 0.0249 1.0000 Uani . U . . . .
C89 C 0.31765(15) 0.20100(12) 0.77291(8) 0.0242 1.0000 Uani . U . . . .
C91 C 0.40377(17) 0.22942(13) 0.79236(8) 0.0280 1.0000 Uani . U . . . .
C92 C 0.39611(19) 0.21500(15) 0.82106(9) 0.0358 1.0000 Uani . U . . . .
C93 C 0.3468(2) 0.19300(17) 0.82547(10) 0.0422 1.0000 Uani . U . . . .
C94 C 0.30706(19) 0.18588(15) 0.80132(10) 0.0368 1.0000 Uani . U . . . .
C97 C 0.27390(14) 0.56307(11) 0.50734(8) 0.0186 1.0000 Uani . U . . . .
C98 C 0.23732(15) 0.56280(12) 0.48694(8) 0.0206 1.0000 Uani . U . . . .
C102 C 0.23613(15) 0.42096(12) 0.48875(8) 0.0201 1.0000 Uani . U . . . .
C103 C 0.26659(15) 0.41959(12) 0.51167(8) 0.0210 1.0000 Uani . U . . . .
C105 C 0.27429(15) 0.40701(12) 0.57429(8) 0.0229 1.0000 Uani . U . . . .
C106 C 0.22923(16) 0.37727(13) 0.57137(9) 0.0297 1.0000 Uani . U . . . .
C107 C 0.19791(18) 0.36999(15) 0.59542(11) 0.0377 1.0000 Uani . U . . . .
C108 C 0.2108(2) 0.39208(16) 0.62216(11) 0.0441 1.0000 Uani . U . . . .
C109 C 0.2554(2) 0.42102(16) 0.62499(10) 0.0455 1.0000 Uani . U . . . .
C110 C 0.28720(18) 0.42847(14) 0.60137(9) 0.0327 1.0000 Uani . U . . . .
C111 C 0.36148(16) 0.37472(13) 0.53836(10) 0.0280 1.0000 Uani . U . . . .
C112 C 0.37281(19) 0.36148(15) 0.50985(11) 0.0411 1.0000 Uani . U . . . .
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C172 C 0.48512(16) 0.44230(13) 0.53326(10) 0.0294 1.0000 Uani . U . . . .
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C334 C 0.00242(19) -0.00910(18) 0.36292(10) 0.0454 1.0000 Uani . U . . . .
C335 C 0.22328(16) -0.09495(13) 0.42416(9) 0.0251 1.0000 Uani . U . . . .
C336 C 0.21193(18) -0.07991(15) 0.39461(9) 0.0361 1.0000 Uani . U . . . .
C337 C 0.2451(2) -0.09455(18) 0.37263(10) 0.0469 1.0000 Uani . U . . . .
C338 C 0.2896(2) -0.12190(17) 0.37961(11) 0.0447 1.0000 Uani . U . . . .
C339 C 0.30214(19) -0.13639(15) 0.40861(10) 0.0379 1.0000 Uani . U . . . .
C340 C 0.26861(17) -0.12342(14) 0.43077(9) 0.0306 1.0000 Uani . U . . . .
C341 C 0.12964(15) -0.11864(12) 0.45809(8) 0.0227 1.0000 Uani . U . . . .
C342 C 0.12062(17) -0.13523(13) 0.48604(9) 0.0290 1.0000 Uani . U . . . .
C343 C 0.07885(18) -0.16640(14) 0.48914(11) 0.0374 1.0000 Uani . U . . . .
C344 C 0.0460(2) -0.18188(16) 0.46404(11) 0.0441 1.0000 Uani . U . . . .
C345 C 0.05367(19) -0.16510(16) 0.43601(11) 0.0407 1.0000 Uani . U . . . .
C346 C 0.09498(17) -0.13313(14) 0.43289(9) 0.0315 1.0000 Uani . U . . . .
C347 C 0.35339(15) -0.11863(12) 0.53838(8) 0.0223 1.0000 Uani . U . . . .
C348 C 0.3540(3) -0.1463(2) 0.51434(11) 0.0650 1.0000 Uani . U . . . .
C349 C 0.3961(3) -0.1777(2) 0.51313(12) 0.0727 1.0000 Uani . U . . . .
C350 C 0.4388(2) -0.18110(17) 0.53550(11) 0.0473 1.0000 Uani . U . . . .
C351 C 0.43839(18) -0.15404(15) 0.55979(12) 0.0407 1.0000 Uani . U . . . .
C352 C 0.39688(18) -0.12267(14) 0.56130(10) 0.0345 1.0000 Uani . U . . . .
C353 C 0.26237(15) -0.08501(12) 0.57067(8) 0.0236 1.0000 Uani . U . . . .
C354 C 0.2663(2) -0.05737(15) 0.59532(10) 0.0390 1.0000 Uani . U . . . .
C355 C 0.2329(2) -0.06498(18) 0.61866(11) 0.0527 1.0000 Uani . U . . . .
C356 C 0.1963(2) -0.10016(17) 0.61736(10) 0.0465 1.0000 Uani . U . . . .
C357 C 0.1920(2) -0.12806(16) 0.59289(11) 0.0422 1.0000 Uani . U . . . .
C358 C 0.22482(17) -0.12067(14) 0.56939(9) 0.0315 1.0000 Uani . U . . . .
C360 C 0.46995(15) -0.04789(13) 0.51540(9) 0.0254 1.0000 Uani . U . . . .
C361 C 0.43082(15) -0.04355(13) 0.48760(9) 0.0254 1.0000 Uani . U . . . .
C363 C 0.34816(16) -0.01428(15) 0.46490(9) 0.0319 1.0000 Uani . U . . . .
C364 C 0.35642(17) -0.03321(14) 0.43763(9) 0.0318 1.0000 Uani . U . . . .
C365 C 0.40368(19) -0.05866(16) 0.43564(10) 0.0397 1.0000 Uani . U . . . .
C366 C 0.44109(18) -0.06403(15) 0.46065(10) 0.0359 1.0000 Uani . U . . . .
C367 C 0.51969(17) -0.07234(15) 0.51608(10) 0.0360 1.0000 Uani . U . . . .
C368 C 0.55458(18) -0.07544(16) 0.54248(10) 0.0408 1.0000 Uani . U . . . .
C369 C 0.53944(17) -0.05357(15) 0.56756(10) 0.0353 1.0000 Uani . U . . . .
C370 C 0.48918(16) -0.02926(13) 0.56566(9) 0.0269 1.0000 Uani . U . . . .
C371 C 0.47071(16) -0.00509(12) 0.59178(9) 0.0266 1.0000 Uani . U . . . .
C373 C 0.39706(19) 0.02543(16) 0.61497(10) 0.0394 1.0000 Uani . U . . . .
C374 C 0.4321(2) 0.03787(16) 0.64005(10) 0.0431 1.0000 Uani . U . . . .
C375 C 0.4888(2) 0.02849(14) 0.64049(10) 0.0409 1.0000 Uani . U . . . .
C376 C 0.50847(18) 0.00689(13) 0.6164(1) 0.0336 1.0000 Uani . U . . . .
C378 C 0.0474(2) 0.49945(16) 0.75258(12) 0.0459 1.0000 Uani . U . . . .
C381 C 0.8081(3) 0.2522(2) 0.50418(13) 0.0654 1.0000 Uani . U . . . .
C440 C 0.4538(3) 0.0047(3) 0.75171(14) 0.0848 1.0000 Uani . U . . . .
Cl7 Cl 0.27098(16) 0.28277(11) 0.04445(6) 0.1567 1.0000 Uani . U . . . .
Cl8 Cl 0.25156(15) 0.25179(13) -0.01632(7) 0.1672 1.0000 Uani . U . . . .
Cl9 Cl 0.8330(3) 0.25630(18) 0.54071(9) 0.0853 0.3500 Uani . . . . 2 .
Cl10 Cl 0.7466(5) 0.2269(8) 0.4998(2) 0.3201 0.3500 Uani . . . . 2 .
C1 C 0.2835(4) 0.2312(4) 0.0286(3) 0.1548 1.0000 Uani . U . . . .
H91 H 0.5260 0.1784 0.8608 0.0354 1.0000 Uiso R . . . . .
H101 H 0.4767 0.1340 0.8922 0.0438 1.0000 Uiso R . . . . .
H111 H 0.4466 0.0637 0.8767 0.0432 1.0000 Uiso R . . . . .
H121 H 0.4668 0.0362 0.8304 0.0418 1.0000 Uiso R . . . . .
H131 H 0.5161 0.0801 0.7988 0.0356 1.0000 Uiso R . . . . .
H181 H 0.4084 0.1202 0.7679 0.0322 1.0000 Uiso R . . . . .
H191 H 0.3403 0.0665 0.7762 0.0450 1.0000 Uiso R . . . . .
H201 H 0.2811 0.0392 0.7361 0.0526 1.0000 Uiso R . . . . .
H211 H 0.2882 0.0653 0.6879 0.0497 1.0000 Uiso R . . . . .
H221 H 0.3542 0.1205 0.6793 0.0359 1.0000 Uiso R . . . . .
H241 H 0.4139 0.1907 0.6543 0.0362 1.0000 Uiso R . . . . .
H251 H 0.4603 0.1791 0.6111 0.0508 1.0000 Uiso R . . . . .
H261 H 0.5460 0.1416 0.6140 0.0516 1.0000 Uiso R . . . . .
H271 H 0.5830 0.1114 0.6594 0.0456 1.0000 Uiso R . . . . .
H281 H 0.5367 0.1213 0.7031 0.0345 1.0000 Uiso R . . . . .
H301 H 0.5970 0.1143 0.7505 0.0448 1.0000 Uiso R . . . . .
H311 H 0.6712 0.0658 0.7439 0.0597 1.0000 Uiso R . . . . .
H321 H 0.7387 0.0506 0.7833 0.0482 1.0000 Uiso R . . . . .
H331 H 0.7335 0.0852 0.8293 0.0402 1.0000 Uiso R . . . . .
H341 H 0.6617 0.1356 0.8360 0.0330 1.0000 Uiso R . . . . .
H371 H 0.7924 0.1800 0.7686 0.0385 1.0000 Uiso R . . . . .
H381 H 0.8476 0.1758 0.8144 0.0437 1.0000 Uiso R . . . . .
H391 H 0.8119 0.2035 0.8579 0.0394 1.0000 Uiso R . . . . .
H431 H 0.5893 0.2532 0.8859 0.0433 1.0000 Uiso R . . . . .
H441 H 0.6408 0.2735 0.9304 0.0493 1.0000 Uiso R . . . . .
H451 H 0.7401 0.2733 0.9324 0.0502 1.0000 Uiso R . . . . .
H461 H 0.7833 0.2522 0.8899 0.0465 1.0000 Uiso R . . . . .
H491 H 0.5710 0.2549 0.7319 0.0394 1.0000 Uiso R . . . . .
H501 H 0.5919 0.2226 0.6872 0.0437 1.0000 Uiso R . . . . .
H511 H 0.6750 0.1814 0.6867 0.0556 1.0000 Uiso R . . . . .
H521 H 0.7357 0.1758 0.7309 0.0487 1.0000 Uiso R . . . . .
H541 H 0.5070 0.3017 0.8541 0.0401 1.0000 Uiso R . . . . .
H551 H 0.4420 0.3440 0.8787 0.0483 1.0000 Uiso R . . . . .
H561 H 0.4198 0.4155 0.8622 0.0456 1.0000 Uiso R . . . . .
H571 H 0.4647 0.4478 0.8239 0.0423 1.0000 Uiso R . . . . .
H581 H 0.5315 0.4072 0.8007 0.0370 1.0000 Uiso R . . . . .
H601 H 0.5846 0.3729 0.7498 0.0406 1.0000 Uiso R . . . . .
H611 H 0.6515 0.4270 0.7401 0.0575 1.0000 Uiso R . . . . .
H621 H 0.7265 0.4421 0.7756 0.0642 1.0000 Uiso R . . . . .
H631 H 0.7370 0.4020 0.8202 0.0585 1.0000 Uiso R . . . . .
H641 H 0.6727 0.3464 0.8292 0.0435 1.0000 Uiso R . . . . .
H661 H 0.4310 0.3851 0.7631 0.0401 1.0000 Uiso R . . . . .
H671 H 0.3724 0.4457 0.7694 0.0534 1.0000 Uiso R . . . . .
H681 H 0.2958 0.4602 0.7343 0.0495 1.0000 Uiso R . . . . .
H691 H 0.2771 0.4135 0.6930 0.0452 1.0000 Uiso R . . . . .
H701 H 0.3346 0.3520 0.6871 0.0363 1.0000 Uiso R . . . . .
H721 H 0.4668 0.2637 0.6704 0.0354 1.0000 Uiso R . . . . .
H731 H 0.5325 0.2744 0.6349 0.0507 1.0000 Uiso R . . . . .
H741 H 0.5822 0.3405 0.6346 0.0571 1.0000 Uiso R . . . . .
H751 H 0.5670 0.3965 0.6681 0.0479 1.0000 Uiso R . . . . .
H761 H 0.5007 0.3873 0.7029 0.0349 1.0000 Uiso R . . . . .
H811 H 0.3726 0.2800 0.6441 0.0467 1.0000 Uiso R . . . . .
H821 H 0.3092 0.2932 0.6019 0.0517 1.0000 Uiso R . . . . .
H831 H 0.2164 0.2679 0.6020 0.0504 1.0000 Uiso R . . . . .
H841 H 0.1889 0.2325 0.6449 0.0416 1.0000 Uiso R . . . . .
H851 H 0.1820 0.1781 0.6772 0.0402 1.0000 Uiso R . . . . .
H861 H 0.1660 0.1381 0.7206 0.0486 1.0000 Uiso R . . . . .
H871 H 0.2262 0.1482 0.7640 0.0392 1.0000 Uiso R . . . . .
H911 H 0.4376 0.2448 0.7892 0.0337 1.0000 Uiso R . . . . .
H921 H 0.4241 0.2201 0.8373 0.0431 1.0000 Uiso R . . . . .
H931 H 0.3401 0.1828 0.8449 0.0507 1.0000 Uiso R . . . . .
H941 H 0.2729 0.1708 0.8041 0.0443 1.0000 Uiso R . . . . .
H1061 H 0.2201 0.3621 0.5530 0.0358 1.0000 Uiso R . . . . .
H1071 H 0.1673 0.3497 0.5935 0.0453 1.0000 Uiso R . . . . .
H1081 H 0.1889 0.3872 0.6386 0.0529 1.0000 Uiso R . . . . .
H1091 H 0.2644 0.4361 0.6434 0.0548 1.0000 Uiso R . . . . .
H1101 H 0.3182 0.4484 0.6037 0.0392 1.0000 Uiso R . . . . .
H1121 H 0.3529 0.3744 0.4926 0.0493 1.0000 Uiso R . . . . .
H1131 H 0.4216 0.3197 0.4872 0.0737 1.0000 Uiso R . . . . .
H1141 H 0.4701 0.2879 0.5298 0.0800 1.0000 Uiso R . . . . .
H1151 H 0.4525 0.3119 0.5773 0.0718 1.0000 Uiso R . . . . .
H1161 H 0.3847 0.3661 0.5831 0.0506 1.0000 Uiso R . . . . .
H1181 H 0.1719 0.3521 0.4941 0.0528 1.0000 Uiso R . . . . .
H1191 H 0.1034 0.2968 0.4922 0.0774 1.0000 Uiso R . . . . .
H1201 H 0.0350 0.2926 0.4518 0.0659 1.0000 Uiso R . . . . .
H1211 H 0.0378 0.3412 0.4118 0.0541 1.0000 Uiso R . . . . .
H1221 H 0.1069 0.3963 0.4128 0.0395 1.0000 Uiso R . . . . .
H1241 H 0.2456 0.4635 0.4039 0.0389 1.0000 Uiso R . . . . .
H1251 H 0.3173 0.4433 0.3742 0.0522 1.0000 Uiso R . . . . .
H1261 H 0.3646 0.3769 0.3827 0.0641 1.0000 Uiso R . . . . .
H1271 H 0.3403 0.3295 0.4203 0.0793 1.0000 Uiso R . . . . .
H1281 H 0.2684 0.3491 0.4496 0.0566 1.0000 Uiso R . . . . .
H1331 H 0.1765 0.5073 0.5249 0.0357 1.0000 Uiso R . . . . .
H1341 H 0.1605 0.4640 0.5657 0.0443 1.0000 Uiso R . . . . .
H1351 H 0.0853 0.4139 0.5614 0.0626 1.0000 Uiso R . . . . .
H1361 H 0.0247 0.4131 0.5168 0.0556 1.0000 Uiso R . . . . .
H1371 H -0.0411 0.4337 0.4835 0.0428 1.0000 Uiso R . . . . .
H1381 H -0.0968 0.4348 0.4379 0.0498 1.0000 Uiso R . . . . .
H1391 H -0.0603 0.4628 0.3953 0.0432 1.0000 Uiso R . . . . .
H1431 H 0.1669 0.5011 0.3672 0.0423 1.0000 Uiso R . . . . .
H1441 H 0.1170 0.5191 0.3220 0.0469 1.0000 Uiso R . . . . .
H1451 H 0.0178 0.5232 0.3195 0.0484 1.0000 Uiso R . . . . .
H1461 H -0.0273 0.5056 0.3622 0.0432 1.0000 Uiso R . . . . .
H1481 H 0.1730 0.6140 0.5131 0.0346 1.0000 Uiso R . . . . .
H1491 H 0.1065 0.6636 0.5293 0.0452 1.0000 Uiso R . . . . .
H1501 H 0.0307 0.6866 0.4960 0.0469 1.0000 Uiso R . . . . .
H1511 H 0.0194 0.6576 0.4478 0.0491 1.0000 Uiso R . . . . .
H1521 H 0.0839 0.6062 0.4319 0.0435 1.0000 Uiso R . . . . .
H1541 H 0.2337 0.5535 0.4006 0.0410 1.0000 Uiso R . . . . .
H1551 H 0.2956 0.5937 0.3729 0.0519 1.0000 Uiso R . . . . .
H1561 H 0.3243 0.6642 0.3883 0.0450 1.0000 Uiso R . . . . .
H1571 H 0.2912 0.6961 0.4309 0.0423 1.0000 Uiso R . . . . .
H1581 H 0.2289 0.6567 0.4579 0.0337 1.0000 Uiso R . . . . .
H1601 H 0.3293 0.6286 0.4908 0.0364 1.0000 Uiso R . . . . .
H1611 H 0.3854 0.6901 0.4840 0.0495 1.0000 Uiso R . . . . .
H1621 H 0.4531 0.7129 0.5220 0.0525 1.0000 Uiso R . . . . .
H1631 H 0.4633 0.6743 0.5670 0.0485 1.0000 Uiso R . . . . .
H1641 H 0.4091 0.6116 0.5740 0.0398 1.0000 Uiso R . . . . .
H1661 H 0.2668 0.5149 0.5809 0.0376 1.0000 Uiso R . . . . .
H1671 H 0.2023 0.5299 0.6159 0.0479 1.0000 Uiso R . . . . .
H1681 H 0.1758 0.6020 0.6245 0.0555 1.0000 Uiso R . . . . .
H1691 H 0.2082 0.6598 0.5956 0.0671 1.0000 Uiso R . . . . .
H1701 H 0.2723 0.6453 0.5606 0.0478 1.0000 Uiso R . . . . .
H1751 H 0.3525 0.4968 0.4690 0.0452 1.0000 Uiso R . . . . .
H1761 H 0.3950 0.4766 0.4261 0.0568 1.0000 Uiso R . . . . .
H1771 H 0.4818 0.4403 0.4317 0.0630 1.0000 Uiso R . . . . .
H1781 H 0.5231 0.4241 0.4798 0.0521 1.0000 Uiso R . . . . .
H1791 H 0.5500 0.4018 0.5233 0.0530 1.0000 Uiso R . . . . .
H1801 H 0.5886 0.3930 0.5729 0.0627 1.0000 Uiso R . . . . .
H1811 H 0.5434 0.4255 0.6115 0.0494 1.0000 Uiso R . . . . .
H1851 H 0.3698 0.5539 0.6195 0.0444 1.0000 Uiso R . . . . .
H1861 H 0.3650 0.5211 0.6658 0.0519 1.0000 Uiso R . . . . .
H1871 H 0.4120 0.4539 0.6758 0.0567 1.0000 Uiso R . . . . .
H1881 H 0.4649 0.4233 0.6393 0.0508 1.0000 Uiso R . . . . .
H2001 H 0.0153 0.2264 0.8385 0.0331 1.0000 Uiso R . . . . .
H2011 H -0.0543 0.2097 0.8701 0.0448 1.0000 Uiso R . . . . .
H2021 H -0.0837 0.1372 0.8752 0.0518 1.0000 Uiso R . . . . .
H2031 H -0.0465 0.0811 0.8475 0.0570 1.0000 Uiso R . . . . .
H2041 H 0.0235 0.0967 0.8156 0.0470 1.0000 Uiso R . . . . .
H2061 H 0.0899 0.1023 0.7576 0.0388 1.0000 Uiso R . . . . .
H2071 H 0.1535 0.0426 0.7592 0.0537 1.0000 Uiso R . . . . .
H2081 H 0.2233 0.0363 0.7984 0.0601 1.0000 Uiso R . . . . .
H2091 H 0.2307 0.0882 0.8367 0.0535 1.0000 Uiso R . . . . .
H2101 H 0.1690 0.1490 0.8353 0.0403 1.0000 Uiso R . . . . .
H2121 H -0.0157 0.2296 0.6631 0.0398 1.0000 Uiso R . . . . .
H2131 H 0.0464 0.2212 0.6264 0.0556 1.0000 Uiso R . . . . .
H2141 H 0.0978 0.1558 0.6245 0.0637 1.0000 Uiso R . . . . .
H2151 H 0.0850 0.0989 0.6575 0.0625 1.0000 Uiso R . . . . .
H2161 H 0.0201 0.1061 0.6939 0.0513 1.0000 Uiso R . . . . .
H2181 H -0.1080 0.1441 0.7572 0.0661 1.0000 Uiso R . . . . .
H2191 H -0.1719 0.0863 0.7636 0.0834 1.0000 Uiso R . . . . .
H2201 H -0.2005 0.0408 0.7229 0.0774 1.0000 Uiso R . . . . .
H2211 H -0.1589 0.0476 0.6778 0.0726 1.0000 Uiso R . . . . .
H2221 H -0.0951 0.1060 0.6715 0.0603 1.0000 Uiso R . . . . .
H2251 H -0.3059 0.3060 0.6650 0.0537 1.0000 Uiso R . . . . .
H2261 H -0.3312 0.3414 0.7080 0.0612 1.0000 Uiso R . . . . .
H2271 H -0.2738 0.3338 0.7532 0.0497 1.0000 Uiso R . . . . .
H2311 H -0.0562 0.2487 0.7835 0.0398 1.0000 Uiso R . . . . .
H2321 H -0.0733 0.2768 0.8299 0.0451 1.0000 Uiso R . . . . .
H2331 H -0.1597 0.3134 0.8346 0.0521 1.0000 Uiso R . . . . .
H2341 H -0.2235 0.3213 0.7923 0.0487 1.0000 Uiso R . . . . .
H2371 H -0.1066 0.2104 0.6364 0.0692 1.0000 Uiso R . . . . .
H2381 H -0.1646 0.1989 0.5929 0.0663 1.0000 Uiso R . . . . .
H2391 H -0.2581 0.2235 0.5904 0.0601 1.0000 Uiso R . . . . .
H2401 H -0.2910 0.2561 0.6326 0.0522 1.0000 Uiso R . . . . .
H2421 H 0.0332 0.3872 0.6973 0.0335 1.0000 Uiso R . . . . .
H2431 H 0.0778 0.4066 0.6548 0.0463 1.0000 Uiso R . . . . .
H2441 H 0.0498 0.3732 0.6088 0.0561 1.0000 Uiso R . . . . .
H2451 H -0.0240 0.3229 0.6045 0.0592 1.0000 Uiso R . . . . .
H2461 H -0.0679 0.3022 0.6472 0.0425 1.0000 Uiso R . . . . .
H2481 H -0.0887 0.3755 0.7590 0.0469 1.0000 Uiso R . . . . .
H2491 H -0.1597 0.4271 0.7661 0.0587 1.0000 Uiso R . . . . .
H2501 H -0.2218 0.4493 0.7252 0.0604 1.0000 Uiso R . . . . .
H2511 H -0.2159 0.4179 0.6788 0.0553 1.0000 Uiso R . . . . .
H2521 H -0.1449 0.3663 0.6713 0.0450 1.0000 Uiso R . . . . .
H2541 H 0.0611 0.3002 0.8548 0.0390 1.0000 Uiso R . . . . .
H2551 H 0.0055 0.3208 0.8928 0.0531 1.0000 Uiso R . . . . .
H2561 H -0.0622 0.3747 0.8843 0.0596 1.0000 Uiso R . . . . .
H2571 H -0.0729 0.4130 0.8385 0.0553 1.0000 Uiso R . . . . .
H2581 H -0.0172 0.3933 0.8001 0.0402 1.0000 Uiso R . . . . .
H2601 H 0.1048 0.3858 0.7482 0.0322 1.0000 Uiso R . . . . .
H2611 H 0.1780 0.4369 0.7467 0.0460 1.0000 Uiso R . . . . .
H2621 H 0.2388 0.4511 0.7894 0.0456 1.0000 Uiso R . . . . .
H2631 H 0.2271 0.4141 0.8342 0.0435 1.0000 Uiso R . . . . .
H2641 H 0.1549 0.3618 0.8360 0.0363 1.0000 Uiso R . . . . .
H2691 H 0.0807 0.2405 0.7226 0.0382 1.0000 Uiso R . . . . .
H2701 H 0.0908 0.2787 0.6788 0.0392 1.0000 Uiso R . . . . .
H2711 H 0.1671 0.3275 0.6772 0.0472 1.0000 Uiso R . . . . .
H2721 H 0.2298 0.3364 0.7200 0.0437 1.0000 Uiso R . . . . .
H2731 H 0.2915 0.3327 0.7571 0.0407 1.0000 Uiso R . . . . .
H2741 H 0.3489 0.3390 0.8023 0.0455 1.0000 Uiso R . . . . .
H2751 H 0.3191 0.3070 0.8457 0.0400 1.0000 Uiso R . . . . .
H2791 H 0.1096 0.2268 0.8744 0.0457 1.0000 Uiso R . . . . .
H2801 H 0.1645 0.2151 0.9191 0.0518 1.0000 Uiso R . . . . .
H2811 H 0.2622 0.2306 0.9211 0.0561 1.0000 Uiso R . . . . .
H2821 H 0.2990 0.2592 0.8785 0.0488 1.0000 Uiso R . . . . .
H2941 H 0.3194 0.1377 0.4920 0.0410 1.0000 Uiso R . . . . .
H2951 H 0.3831 0.1931 0.4803 0.0544 1.0000 Uiso R . . . . .
H2961 H 0.4640 0.2067 0.5131 0.0565 1.0000 Uiso R . . . . .
H2971 H 0.4822 0.1641 0.5559 0.0491 1.0000 Uiso R . . . . .
H2981 H 0.4224 0.1061 0.5659 0.0387 1.0000 Uiso R . . . . .
H3001 H 0.2343 0.0344 0.5710 0.0507 1.0000 Uiso R . . . . .
H3011 H 0.1882 0.0524 0.6133 0.0690 1.0000 Uiso R . . . . .
H3021 H 0.2180 0.1121 0.6424 0.0739 1.0000 Uiso R . . . . .
H3031 H 0.2883 0.1586 0.6280 0.0733 1.0000 Uiso R . . . . .
H3041 H 0.3297 0.1448 0.5833 0.0585 1.0000 Uiso R . . . . .
H3061 H 0.2358 0.0281 0.4112 0.0412 1.0000 Uiso R . . . . .
H3071 H 0.3055 0.0503 0.3805 0.0558 1.0000 Uiso R . . . . .
H3081 H 0.3409 0.1216 0.3833 0.0685 1.0000 Uiso R . . . . .
H3091 H 0.3054 0.1730 0.4156 0.0628 1.0000 Uiso R . . . . .
H3101 H 0.2345 0.1529 0.4449 0.0451 1.0000 Uiso R . . . . .
H3121 H 0.1808 0.1397 0.5030 0.0619 1.0000 Uiso R . . . . .
H3131 H 0.1206 0.1977 0.5126 0.0756 1.0000 Uiso R . . . . .
H3141 H 0.0399 0.2104 0.4808 0.0657 1.0000 Uiso R . . . . .
H3151 H 0.0164 0.1619 0.4417 0.0753 1.0000 Uiso R . . . . .
H3161 H 0.0754 0.1022 0.4324 0.0567 1.0000 Uiso R . . . . .
H3211 H 0.1655 0.0028 0.5234 0.0515 1.0000 Uiso R . . . . .
H3221 H 0.1423 -0.0257 0.5688 0.0585 1.0000 Uiso R . . . . .
H3231 H 0.0561 -0.0650 0.5689 0.0666 1.0000 Uiso R . . . . .
H3241 H -0.0010 -0.0731 0.5243 0.0588 1.0000 Uiso R . . . . .
H3251 H -0.0439 -0.0890 0.4827 0.0551 1.0000 Uiso R . . . . .
H3261 H -0.0921 -0.0979 0.4353 0.0642 1.0000 Uiso R . . . . .
H3271 H -0.0598 -0.0638 0.3939 0.0571 1.0000 Uiso R . . . . .
H3311 H 0.1443 0.0358 0.3762 0.0568 1.0000 Uiso R . . . . .
H3321 H 0.0978 0.0406 0.3286 0.0530 1.0000 Uiso R . . . . .
H3331 H 0.0058 0.0125 0.3203 0.0569 1.0000 Uiso R . . . . .
H3341 H -0.0350 -0.0203 0.3599 0.0544 1.0000 Uiso R . . . . .
H3361 H 0.1817 -0.0598 0.3896 0.0433 1.0000 Uiso R . . . . .
H3371 H 0.2364 -0.0852 0.3524 0.0562 1.0000 Uiso R . . . . .
H3381 H 0.3122 -0.1311 0.3644 0.0537 1.0000 Uiso R . . . . .
H3391 H 0.3337 -0.1552 0.4134 0.0457 1.0000 Uiso R . . . . .
H3401 H 0.2767 -0.1341 0.4507 0.0367 1.0000 Uiso R . . . . .
H3421 H 0.1433 -0.1251 0.5033 0.0350 1.0000 Uiso R . . . . .
H3431 H 0.0727 -0.1772 0.5085 0.0451 1.0000 Uiso R . . . . .
H3441 H 0.0182 -0.2040 0.4662 0.0531 1.0000 Uiso R . . . . .
H3451 H 0.0308 -0.1753 0.4189 0.0489 1.0000 Uiso R . . . . .
H3461 H 0.0997 -0.1211 0.4137 0.0379 1.0000 Uiso R . . . . .
H3481 H 0.3251 -0.1440 0.4982 0.0783 1.0000 Uiso R . . . . .
H3491 H 0.3953 -0.1972 0.4964 0.0873 1.0000 Uiso R . . . . .
H3501 H 0.4683 -0.2020 0.5342 0.0568 1.0000 Uiso R . . . . .
H3511 H 0.4671 -0.1569 0.5759 0.0489 1.0000 Uiso R . . . . .
H3521 H 0.3979 -0.1035 0.5782 0.0414 1.0000 Uiso R . . . . .
H3541 H 0.2918 -0.0331 0.5963 0.0469 1.0000 Uiso R . . . . .
H3551 H 0.2355 -0.0458 0.6356 0.0634 1.0000 Uiso R . . . . .
H3561 H 0.1738 -0.1053 0.6334 0.0559 1.0000 Uiso R . . . . .
H3571 H 0.1664 -0.1523 0.5921 0.0506 1.0000 Uiso R . . . . .
H3581 H 0.2218 -0.1398 0.5525 0.0378 1.0000 Uiso R . . . . .
H3631 H 0.3152 0.0031 0.4663 0.0384 1.0000 Uiso R . . . . .
H3641 H 0.3300 -0.0288 0.4206 0.0382 1.0000 Uiso R . . . . .
H3651 H 0.4104 -0.0724 0.4172 0.0478 1.0000 Uiso R . . . . .
H3661 H 0.4739 -0.0817 0.4596 0.0431 1.0000 Uiso R . . . . .
H3671 H 0.5296 -0.0868 0.4985 0.0432 1.0000 Uiso R . . . . .
H3681 H 0.5884 -0.0924 0.5433 0.0490 1.0000 Uiso R . . . . .
H3691 H 0.5629 -0.0550 0.5859 0.0423 1.0000 Uiso R . . . . .
H3731 H 0.3580 0.0323 0.6144 0.0473 1.0000 Uiso R . . . . .
H3741 H 0.4175 0.0525 0.6565 0.0518 1.0000 Uiso R . . . . .
H3751 H 0.5141 0.0368 0.6572 0.0491 1.0000 Uiso R . . . . .
H3761 H 0.5475 0.0002 0.6164 0.0405 1.0000 Uiso R . . . . .
H3781 H 0.0665 0.4986 0.7722 0.0549 1.0000 Uiso R . . . . .
H3782 H 0.0741 0.4973 0.7381 0.0549 1.0000 Uiso R . . . . .
H3811 H 0.8364 0.2703 0.5144 0.0778 0.6500 Uiso R . . . 1 .
H3812 H 0.8242 0.2351 0.4893 0.0778 0.6500 Uiso R . . . 1 .
H3814 H 0.8345 0.2361 0.4939 0.0778 0.3500 Uiso . . . . 2 .
H3815 H 0.8039 0.2812 0.4961 0.0778 0.3500 Uiso . . . . 2 .
H4401 H 0.4507 0.0330 0.7607 0.0995 1.0000 Uiso R . . . . .
H4402 H 0.4217 -0.0127 0.7551 0.0995 1.0000 Uiso R . . . . .
H10 H 0.3225 0.2239 0.0301 0.1847 1.0000 Uiso R . . . . .
H11 H 0.2629 0.2075 0.0363 0.1847 1.0000 Uiso R . . . . .

_refine_ls_extinction_method     None
_oxford_refine_ls_scale          0.009(0)
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ag1 . P2 . 2.4120(9) yes
Ag1 . P4 . 2.4892(9) yes
Ag1 . N1 . 2.481(3) yes
Ag1 . N2 . 2.410(3) yes
Ag1 . N3 . 2.503(3) yes
Ag2 . P1 . 2.4341(9) yes
Ag2 . P3 . 2.4620(9) yes
Ag2 . N4 . 2.389(3) yes
Ag2 . N5 . 2.432(3) yes
Ag2 . N6 . 2.726(3) yes
Ag3 . P5 . 2.3984(9) yes
Ag3 . P8 . 2.4997(9) yes
Ag3 . N7 . 2.430(3) yes
Ag3 . N8 . 2.355(3) yes
Ag3 . N9 . 2.762(3) yes
Ag4 . P6 . 2.4086(9) yes
Ag4 . P7 . 2.4545(9) yes
Ag4 . N10 . 2.423(3) yes
Ag4 . N11 . 2.377(3) yes
Ag4 . N12 . 2.727(3) yes
Ag5 . P9 . 2.4792(9) yes
Ag5 . P12 . 2.4166(9) yes
Ag5 . N13 . 2.580(3) yes
Ag5 . N14 . 2.401(3) yes
Ag5 . N15 . 2.475(3) yes
Ag6 . P10 . 2.4760(9) yes
Ag6 . P11 . 2.4279(10) yes
Ag6 . N16 . 2.542(3) yes
Ag6 . N17 . 2.430(3) yes
Ag6 . N18 . 2.478(4) yes
Ag7 . P13 . 2.4600(9) yes
Ag7 . P16 . 2.4127(9) yes
Ag7 . N19 . 2.462(3) yes
Ag7 . N20 . 2.394(3) yes
Ag7 . N21 . 2.533(3) yes
Ag8 . P14 . 2.4830(10) yes
Ag8 . P15 . 2.4257(10) yes
Ag8 . N22 . 2.553(4) yes
Ag8 . N23 . 2.431(3) yes
Ag8 . N24 . 2.454(4) yes
P1 . C4 . 1.770(3) yes
P1 . C53 . 1.821(4) yes
P1 . C59 . 1.818(4) yes
P2 . C3 . 1.760(3) yes
P2 . C65 . 1.821(4) yes
P2 . C71 . 1.825(4) yes
P3 . C8 . 1.818(4) yes
P3 . C14 . 1.774(3) yes
P3 . C29 . 1.821(4) yes
P4 . C15 . 1.764(3) yes
P4 . C17 . 1.824(4) yes
P4 . C23 . 1.823(4) yes
P5 . C97 . 1.762(4) yes
P5 . C159 . 1.815(4) yes
P5 . C165 . 1.822(4) yes
P6 . C98 . 1.769(4) yes
P6 . C147 . 1.822(4) yes
P6 . C153 . 1.819(4) yes
P7 . C102 . 1.772(4) yes
P7 . C117 . 1.818(4) yes
P7 . C123 . 1.815(4) yes
P8 . C103 . 1.758(4) yes
P8 . C105 . 1.820(4) yes
P8 . C111 . 1.824(4) yes
P9 . C191 . 1.765(4) yes
P9 . C253 . 1.815(4) yes
P9 . C259 . 1.821(3) yes
P10 . C192 . 1.771(4) yes
P10 . C241 . 1.810(4) yes
P10 . C247 . 1.816(4) yes
P11 . C196 . 1.764(4) yes
P11 . C211 . 1.836(4) yes
P11 . C217 . 1.820(4) yes
P12 . C197 . 1.754(4) yes
P12 . C199 . 1.830(4) yes
P12 . C205 . 1.819(4) yes
P13 . C285 . 1.766(4) yes
P13 . C347 . 1.811(4) yes
P13 . C353 . 1.815(4) yes
P14 . C286 . 1.759(4) yes
P14 . C335 . 1.819(4) yes
P14 . C341 . 1.822(4) yes
P15 . C290 . 1.775(4) yes
P15 . C305 . 1.822(4) yes
P15 . C311 . 1.823(4) yes
P16 . C291 . 1.759(4) yes
P16 . C293 . 1.813(4) yes
P16 . C299 . 1.824(4) yes
P17 . F1 . 1.606(2) yes
P17 . F2 . 1.606(2) yes
P17 . F3 . 1.598(3) yes
P17 . F4 . 1.599(2) yes
P17 . F5 . 1.604(2) yes
P17 . F6 . 1.601(3) yes
P18 . F7 . 1.603(2) yes
P18 . F8 . 1.600(3) yes
P18 . F9 . 1.598(2) yes
P18 . F10 . 1.594(3) yes
P18 . F11 . 1.602(2) yes
P18 . F12 . 1.612(2) yes
P19 . F13 . 1.602(2) yes
P19 . F14 . 1.602(3) yes
P19 . F15 . 1.599(2) yes
P19 . F16 . 1.607(3) yes
P19 . F17 . 1.601(3) yes
P19 . F18 . 1.596(3) yes
P20 . F19 . 1.593(3) yes
P20 . F20 . 1.607(2) yes
P20 . F21 . 1.605(3) yes
P20 . F22 . 1.606(3) yes
P20 . F23 . 1.596(3) yes
P20 . F24 . 1.595(3) yes
P21 . F25 . 1.603(3) yes
P21 . F26 . 1.597(2) yes
P21 . F27 . 1.606(3) yes
P21 . F28 . 1.608(3) yes
P21 . F29 . 1.586(3) yes
P21 . F30 . 1.589(3) yes
P22 . F31 . 1.602(3) yes
P22 . F32 . 1.596(3) yes
P22 . F33 . 1.594(2) yes
P22 . F34 . 1.604(3) yes
P22 . F35 . 1.600(3) yes
P22 . F36 . 1.600(2) yes
P23 . F37 . 1.582(3) yes
P23 . F38 . 1.594(3) yes
P23 . F39 . 1.606(3) yes
P23 . F40 . 1.580(3) yes
P23 . F41 . 1.605(3) yes
P23 . F42 . 1.594(3) yes
P24 . F43 . 1.601(3) yes
P24 . F44 . 1.607(3) yes
P24 . F45 . 1.598(3) yes
P24 . F46 . 1.590(3) yes
P24 . F47 . 1.580(3) yes
P24 . F48 . 1.596(3) yes
Cl1 . C378 . 1.762(5) yes
Cl2 . C378 . 1.736(5) yes
Cl3 . C381 . 1.787(6) yes
Cl4 . C381 . 1.700(7) yes
Cl5 . C440 . 1.674(7) yes
Cl6 . C440 . 1.642(7) yes
N1 . C79 . 1.338(5) yes
N1 . C81 . 1.334(5) yes
N2 . C78 . 1.333(5) yes
N2 . C88 . 1.344(5) yes
N3 . C89 . 1.348(5) yes
N3 . C91 . 1.336(5) yes
N4 . C41 . 1.348(5) yes
N4 . C43 . 1.336(5) yes
N5 . C36 . 1.345(5) yes
N5 . C40 . 1.348(5) yes
N6 . C47 . 1.344(5) yes
N6 . C49 . 1.331(5) yes
N7 . C173 . 1.350(5) yes
N7 . C175 . 1.325(5) yes
N8 . C172 . 1.350(5) yes
N8 . C182 . 1.337(5) yes
N9 . C183 . 1.345(5) yes
N9 . C185 . 1.343(5) yes
N10 . C141 . 1.346(5) yes
N10 . C143 . 1.347(5) yes
N11 . C130 . 1.349(5) yes
N11 . C140 . 1.338(5) yes
N12 . C131 . 1.345(5) yes
N12 . C133 . 1.344(5) yes
N13 . C267 . 1.337(5) yes
N13 . C269 . 1.343(5) yes
N14 . C266 . 1.345(5) yes
N14 . C276 . 1.332(5) yes
N15 . C277 . 1.351(5) yes
N15 . C279 . 1.334(5) yes
N16 . C229 . 1.352(5) yes
N16 . C231 . 1.335(5) yes
N17 . C224 . 1.335(5) yes
N17 . C228 . 1.337(6) yes
N18 . C235 . 1.331(5) yes
N18 . C237 . 1.335(6) yes
N19 . C371 . 1.340(5) yes
N19 . C373 . 1.340(5) yes
N20 . C360 . 1.343(5) yes
N20 . C370 . 1.338(5) yes
N21 . C361 . 1.343(5) yes
N21 . C363 . 1.339(5) yes
N22 . C319 . 1.349(5) yes
N22 . C321 . 1.332(6) yes
N23 . C318 . 1.327(6) yes
N23 . C328 . 1.335(5) yes
N24 . C329 . 1.338(5) yes
N24 . C331 . 1.351(6) yes
C3 . C4 . 1.199(5) yes
C8 . C9 . 1.386(5) yes
C8 . C13 . 1.406(5) yes
C9 . C10 . 1.388(6) yes
C9 . H91 . 0.950 no
C10 . C11 . 1.379(6) yes
C10 . H101 . 0.950 no
C11 . C12 . 1.373(6) yes
C11 . H111 . 0.950 no
C12 . C13 . 1.386(6) yes
C12 . H121 . 0.950 no
C13 . H131 . 0.950 no
C14 . C15 . 1.193(5) yes
C17 . C18 . 1.395(5) yes
C17 . C22 . 1.387(5) yes
C18 . C19 . 1.392(5) yes
C18 . H181 . 0.950 no
C19 . C20 . 1.379(7) yes
C19 . H191 . 0.950 no
C20 . C21 . 1.374(7) yes
C20 . H201 . 0.950 no
C21 . C22 . 1.393(6) yes
C21 . H211 . 0.950 no
C22 . H221 . 0.950 no
C23 . C24 . 1.391(5) yes
C23 . C28 . 1.393(5) yes
C24 . C25 . 1.393(6) yes
C24 . H241 . 0.950 no
C25 . C26 . 1.376(7) yes
C25 . H251 . 0.950 no
C26 . C27 . 1.379(7) yes
C26 . H261 . 0.950 no
C27 . C28 . 1.403(6) yes
C27 . H271 . 0.950 no
C28 . H281 . 0.950 no
C29 . C30 . 1.380(5) yes
C29 . C34 . 1.392(5) yes
C30 . C31 . 1.389(6) yes
C30 . H301 . 0.950 no
C31 . C32 . 1.367(7) yes
C31 . H311 . 0.950 no
C32 . C33 . 1.375(6) yes
C32 . H321 . 0.950 no
C33 . C34 . 1.383(6) yes
C33 . H331 . 0.950 no
C34 . H341 . 0.950 no
C36 . C37 . 1.397(5) yes
C36 . C47 . 1.499(5) yes
C37 . C38 . 1.373(6) yes
C37 . H371 . 0.950 no
C38 . C39 . 1.386(6) yes
C38 . H381 . 0.950 no
C39 . C40 . 1.395(5) yes
C39 . H391 . 0.950 no
C40 . C41 . 1.489(5) yes
C41 . C46 . 1.390(6) yes
C43 . C44 . 1.382(6) yes
C43 . H431 . 0.950 no
C44 . C45 . 1.385(6) yes
C44 . H441 . 0.950 no
C45 . C46 . 1.374(6) yes
C45 . H451 . 0.950 no
C46 . H461 . 0.950 no
C47 . C52 . 1.385(6) yes
C49 . C50 . 1.383(6) yes
C49 . H491 . 0.950 no
C50 . C51 . 1.367(6) yes
C50 . H501 . 0.950 no
C51 . C52 . 1.385(7) yes
C51 . H511 . 0.950 no
C52 . H521 . 0.950 no
C53 . C54 . 1.390(5) yes
C53 . C58 . 1.410(6) yes
C54 . C55 . 1.403(6) yes
C54 . H541 . 0.950 no
C55 . C56 . 1.380(6) yes
C55 . H551 . 0.950 no
C56 . C57 . 1.373(6) yes
C56 . H561 . 0.950 no
C57 . C58 . 1.379(6) yes
C57 . H571 . 0.950 no
C58 . H581 . 0.950 no
C59 . C60 . 1.384(6) yes
C59 . C64 . 1.386(6) yes
C60 . C61 . 1.401(6) yes
C60 . H601 . 0.950 no
C61 . C62 . 1.369(8) yes
C61 . H611 . 0.950 no
C62 . C63 . 1.379(8) yes
C62 . H621 . 0.950 no
C63 . C64 . 1.387(6) yes
C63 . H631 . 0.950 no
C64 . H641 . 0.950 no
C65 . C66 . 1.389(5) yes
C65 . C70 . 1.393(5) yes
C66 . C67 . 1.386(6) yes
C66 . H661 . 0.950 no
C67 . C68 . 1.385(7) yes
C67 . H671 . 0.950 no
C68 . C69 . 1.381(7) yes
C68 . H681 . 0.950 no
C69 . C70 . 1.389(6) yes
C69 . H691 . 0.950 no
C70 . H701 . 0.950 no
C71 . C72 . 1.385(5) yes
C71 . C76 . 1.398(5) yes
C72 . C73 . 1.398(6) yes
C72 . H721 . 0.950 no
C73 . C74 . 1.373(7) yes
C73 . H731 . 0.950 no
C74 . C75 . 1.369(7) yes
C74 . H741 . 0.950 no
C75 . C76 . 1.386(6) yes
C75 . H751 . 0.950 no
C76 . H761 . 0.950 no
C78 . C79 . 1.495(6) yes
C78 . C85 . 1.400(5) yes
C79 . C84 . 1.396(5) yes
C81 . C82 . 1.395(6) yes
C81 . H811 . 0.950 no
C82 . C83 . 1.369(7) yes
C82 . H821 . 0.950 no
C83 . C84 . 1.386(6) yes
C83 . H831 . 0.950 no
C84 . H841 . 0.950 no
C85 . C86 . 1.386(6) yes
C85 . H851 . 0.950 no
C86 . C87 . 1.363(6) yes
C86 . H861 . 0.950 no
C87 . C88 . 1.399(5) yes
C87 . H871 . 0.950 no
C88 . C89 . 1.487(5) yes
C89 . C94 . 1.396(5) yes
C91 . C92 . 1.384(6) yes
C91 . H911 . 0.950 no
C92 . C93 . 1.378(6) yes
C92 . H921 . 0.950 no
C93 . C94 . 1.385(6) yes
C93 . H931 . 0.950 no
C94 . H941 . 0.950 no
C97 . C98 . 1.201(5) yes
C102 . C103 . 1.200(5) yes
C105 . C106 . 1.395(5) yes
C105 . C110 . 1.383(5) yes
C106 . C107 . 1.383(6) yes
C106 . H1061 . 0.950 no
C107 . C108 . 1.379(7) yes
C107 . H1071 . 0.950 no
C108 . C109 . 1.371(7) yes
C108 . H1081 . 0.950 no
C109 . C110 . 1.375(6) yes
C109 . H1091 . 0.950 no
C110 . H1101 . 0.950 no
C111 . C112 . 1.388(6) yes
C111 . C116 . 1.394(6) yes
C112 . C113 . 1.397(6) yes
C112 . H1121 . 0.950 no
C113 . C114 . 1.390(9) yes
C113 . H1131 . 0.950 no
C114 . C115 . 1.376(9) yes
C114 . H1141 . 0.950 no
C115 . C116 . 1.382(7) yes
C115 . H1151 . 0.950 no
C116 . H1161 . 0.950 no
C117 . C118 . 1.381(6) yes
C117 . C122 . 1.393(6) yes
C118 . C119 . 1.384(6) yes
C118 . H1181 . 0.950 no
C119 . C120 . 1.370(8) yes
C119 . H1191 . 0.950 no
C120 . C121 . 1.371(8) yes
C120 . H1201 . 0.950 no
C121 . C122 . 1.388(6) yes
C121 . H1211 . 0.950 no
C122 . H1221 . 0.950 no
C123 . C124 . 1.385(5) yes
C123 . C128 . 1.367(6) yes
C124 . C125 . 1.390(6) yes
C124 . H1241 . 0.950 no
C125 . C126 . 1.361(8) yes
C125 . H1251 . 0.950 no
C126 . C127 . 1.374(8) yes
C126 . H1261 . 0.950 no
C127 . C128 . 1.381(6) yes
C127 . H1271 . 0.950 no
C128 . H1281 . 0.950 no
C130 . C131 . 1.492(6) yes
C130 . C137 . 1.397(5) yes
C131 . C136 . 1.371(6) yes
C133 . C134 . 1.373(6) yes
C133 . H1331 . 0.950 no
C134 . C135 . 1.366(7) yes
C134 . H1341 . 0.950 no
C135 . C136 . 1.391(7) yes
C135 . H1351 . 0.950 no
C136 . H1361 . 0.950 no
C137 . C138 . 1.369(6) yes
C137 . H1371 . 0.950 no
C138 . C139 . 1.371(6) yes
C138 . H1381 . 0.950 no
C139 . C140 . 1.400(5) yes
C139 . H1391 . 0.950 no
C140 . C141 . 1.487(5) yes
C141 . C146 . 1.396(5) yes
C143 . C144 . 1.375(6) yes
C143 . H1431 . 0.950 no
C144 . C145 . 1.387(6) yes
C144 . H1441 . 0.950 no
C145 . C146 . 1.378(6) yes
C145 . H1451 . 0.950 no
C146 . H1461 . 0.950 no
C147 . C148 . 1.386(5) yes
C147 . C152 . 1.384(5) yes
C148 . C149 . 1.392(6) yes
C148 . H1481 . 0.950 no
C149 . C150 . 1.380(6) yes
C149 . H1491 . 0.950 no
C150 . C151 . 1.376(7) yes
C150 . H1501 . 0.950 no
C151 . C152 . 1.392(6) yes
C151 . H1511 . 0.950 no
C152 . H1521 . 0.950 no
C153 . C154 . 1.379(5) yes
C153 . C158 . 1.398(5) yes
C154 . C155 . 1.399(6) yes
C154 . H1541 . 0.950 no
C155 . C156 . 1.371(7) yes
C155 . H1551 . 0.950 no
C156 . C157 . 1.387(6) yes
C156 . H1561 . 0.950 no
C157 . C158 . 1.378(5) yes
C157 . H1571 . 0.950 no
C158 . H1581 . 0.950 no
C159 . C160 . 1.384(5) yes
C159 . C164 . 1.403(5) yes
C160 . C161 . 1.380(6) yes
C160 . H1601 . 0.950 no
C161 . C162 . 1.384(7) yes
C161 . H1611 . 0.950 no
C162 . C163 . 1.374(7) yes
C162 . H1621 . 0.950 no
C163 . C164 . 1.381(6) yes
C163 . H1631 . 0.950 no
C164 . H1641 . 0.950 no
C165 . C166 . 1.378(5) yes
C165 . C170 . 1.397(6) yes
C166 . C167 . 1.393(6) yes
C166 . H1661 . 0.950 no
C167 . C168 . 1.357(7) yes
C167 . H1671 . 0.950 no
C168 . C169 . 1.394(7) yes
C168 . H1681 . 0.950 no
C169 . C170 . 1.381(6) yes
C169 . H1691 . 0.950 no
C170 . H1701 . 0.950 no
C172 . C173 . 1.485(6) yes
C172 . C179 . 1.399(6) yes
C173 . C178 . 1.390(6) yes
C175 . C176 . 1.395(6) yes
C175 . H1751 . 0.950 no
C176 . C177 . 1.364(7) yes
C176 . H1761 . 0.950 no
C177 . C178 . 1.378(7) yes
C177 . H1771 . 0.950 no
C178 . H1781 . 0.950 no
C179 . C180 . 1.373(7) yes
C179 . H1791 . 0.950 no
C180 . C181 . 1.376(7) yes
C180 . H1801 . 0.950 no
C181 . C182 . 1.386(6) yes
C181 . H1811 . 0.950 no
C182 . C183 . 1.496(6) yes
C183 . C188 . 1.395(6) yes
C185 . C186 . 1.381(6) yes
C185 . H1851 . 0.950 no
C186 . C187 . 1.366(7) yes
C186 . H1861 . 0.950 no
C187 . C188 . 1.384(7) yes
C187 . H1871 . 0.950 no
C188 . H1881 . 0.950 no
C191 . C192 . 1.189(5) yes
C196 . C197 . 1.208(5) yes
C199 . C200 . 1.381(5) yes
C199 . C204 . 1.393(6) yes
C200 . C201 . 1.385(6) yes
C200 . H2001 . 0.950 no
C201 . C202 . 1.366(7) yes
C201 . H2011 . 0.950 no
C202 . C203 . 1.380(7) yes
C202 . H2021 . 0.950 no
C203 . C204 . 1.387(6) yes
C203 . H2031 . 0.950 no
C204 . H2041 . 0.950 no
C205 . C206 . 1.383(6) yes
C205 . C210 . 1.390(6) yes
C206 . C207 . 1.399(6) yes
C206 . H2061 . 0.950 no
C207 . C208 . 1.364(7) yes
C207 . H2071 . 0.950 no
C208 . C209 . 1.373(8) yes
C208 . H2081 . 0.950 no
C209 . C210 . 1.395(6) yes
C209 . H2091 . 0.950 no
C210 . H2101 . 0.950 no
C211 . C212 . 1.379(6) yes
C211 . C216 . 1.392(6) yes
C212 . C213 . 1.385(6) yes
C212 . H2121 . 0.950 no
C213 . C214 . 1.372(8) yes
C213 . H2131 . 0.950 no
C214 . C215 . 1.363(8) yes
C214 . H2141 . 0.950 no
C215 . C216 . 1.409(7) yes
C215 . H2151 . 0.950 no
C216 . H2161 . 0.950 no
C217 . C218 . 1.359(7) yes
C217 . C222 . 1.416(7) yes
C218 . C219 . 1.401(7) yes
C218 . H2181 . 0.950 no
C219 . C220 . 1.376(9) yes
C219 . H2191 . 0.950 no
C220 . C221 . 1.397(9) yes
C220 . H2201 . 0.950 no
C221 . C222 . 1.399(7) yes
C221 . H2211 . 0.950 no
C222 . H2221 . 0.950 no
C224 . C225 . 1.398(6) yes
C224 . C235 . 1.491(7) yes
C225 . C226 . 1.373(7) yes
C225 . H2251 . 0.950 no
C226 . C227 . 1.378(7) yes
C226 . H2261 . 0.950 no
C227 . C228 . 1.409(6) yes
C227 . H2271 . 0.950 no
C228 . C229 . 1.495(6) yes
C229 . C234 . 1.389(6) yes
C231 . C232 . 1.381(6) yes
C231 . H2311 . 0.950 no
C232 . C233 . 1.386(6) yes
C232 . H2321 . 0.950 no
C233 . C234 . 1.371(7) yes
C233 . H2331 . 0.950 no
C234 . H2341 . 0.950 no
C235 . C240 . 1.395(6) yes
C237 . C238 . 1.369(7) yes
C237 . H2371 . 0.950 no
C238 . C239 . 1.371(7) yes
C238 . H2381 . 0.950 no
C239 . C240 . 1.369(7) yes
C239 . H2391 . 0.950 no
C240 . H2401 . 0.950 no
C241 . C242 . 1.392(5) yes
C241 . C246 . 1.384(5) yes
C242 . C243 . 1.386(6) yes
C242 . H2421 . 0.950 no
C243 . C244 . 1.388(7) yes
C243 . H2431 . 0.950 no
C244 . C245 . 1.368(7) yes
C244 . H2441 . 0.950 no
C245 . C246 . 1.396(6) yes
C245 . H2451 . 0.950 no
C246 . H2461 . 0.950 no
C247 . C248 . 1.387(6) yes
C247 . C252 . 1.385(6) yes
C248 . C249 . 1.393(6) yes
C248 . H2481 . 0.950 no
C249 . C250 . 1.387(8) yes
C249 . H2491 . 0.950 no
C250 . C251 . 1.357(8) yes
C250 . H2501 . 0.950 no
C251 . C252 . 1.400(6) yes
C251 . H2511 . 0.950 no
C252 . H2521 . 0.950 no
C253 . C254 . 1.397(5) yes
C253 . C258 . 1.392(6) yes
C254 . C255 . 1.387(6) yes
C254 . H2541 . 0.950 no
C255 . C256 . 1.353(7) yes
C255 . H2551 . 0.950 no
C256 . C257 . 1.398(7) yes
C256 . H2561 . 0.950 no
C257 . C258 . 1.389(6) yes
C257 . H2571 . 0.950 no
C258 . H2581 . 0.950 no
C259 . C260 . 1.393(5) yes
C259 . C264 . 1.399(5) yes
C260 . C261 . 1.383(5) yes
C260 . H2601 . 0.950 no
C261 . C262 . 1.382(6) yes
C261 . H2611 . 0.950 no
C262 . C263 . 1.384(6) yes
C262 . H2621 . 0.950 no
C263 . C264 . 1.388(6) yes
C263 . H2631 . 0.950 no
C264 . H2641 . 0.950 no
C266 . C267 . 1.487(6) yes
C266 . C273 . 1.396(5) yes
C267 . C272 . 1.403(6) yes
C269 . C270 . 1.371(6) yes
C269 . H2691 . 0.950 no
C270 . C271 . 1.373(6) yes
C270 . H2701 . 0.950 no
C271 . C272 . 1.373(6) yes
C271 . H2711 . 0.950 no
C272 . H2721 . 0.950 no
C273 . C274 . 1.382(6) yes
C273 . H2731 . 0.950 no
C274 . C275 . 1.373(6) yes
C274 . H2741 . 0.950 no
C275 . C276 . 1.400(5) yes
C275 . H2751 . 0.950 no
C276 . C277 . 1.488(6) yes
C277 . C282 . 1.396(6) yes
C279 . C280 . 1.375(6) yes
C279 . H2791 . 0.950 no
C280 . C281 . 1.392(6) yes
C280 . H2801 . 0.950 no
C281 . C282 . 1.381(6) yes
C281 . H2811 . 0.950 no
C282 . H2821 . 0.950 no
C285 . C286 . 1.206(5) yes
C290 . C291 . 1.193(5) yes
C293 . C294 . 1.383(6) yes
C293 . C298 . 1.394(5) yes
C294 . C295 . 1.397(6) yes
C294 . H2941 . 0.950 no
C295 . C296 . 1.391(7) yes
C295 . H2951 . 0.950 no
C296 . C297 . 1.371(7) yes
C296 . H2961 . 0.950 no
C297 . C298 . 1.380(6) yes
C297 . H2971 . 0.950 no
C298 . H2981 . 0.950 no
C299 . C300 . 1.382(6) yes
C299 . C304 . 1.391(6) yes
C300 . C301 . 1.393(7) yes
C300 . H3001 . 0.950 no
C301 . C302 . 1.352(8) yes
C301 . H3011 . 0.950 no
C302 . C303 . 1.375(8) yes
C302 . H3021 . 0.950 no
C303 . C304 . 1.400(7) yes
C303 . H3031 . 0.950 no
C304 . H3041 . 0.950 no
C305 . C306 . 1.398(6) yes
C305 . C310 . 1.397(6) yes
C306 . C307 . 1.402(6) yes
C306 . H3061 . 0.950 no
C307 . C308 . 1.362(8) yes
C307 . H3071 . 0.950 no
C308 . C309 . 1.384(8) yes
C308 . H3081 . 0.950 no
C309 . C310 . 1.372(6) yes
C309 . H3091 . 0.950 no
C310 . H3101 . 0.950 no
C311 . C312 . 1.360(6) yes
C311 . C316 . 1.379(6) yes
C312 . C313 . 1.387(7) yes
C312 . H3121 . 0.950 no
C313 . C314 . 1.354(8) yes
C313 . H3131 . 0.950 no
C314 . C315 . 1.361(8) yes
C314 . H3141 . 0.950 no
C315 . C316 . 1.400(7) yes
C315 . H3151 . 0.950 no
C316 . H3161 . 0.950 no
C318 . C319 . 1.502(6) yes
C318 . C325 . 1.406(6) yes
C319 . C324 . 1.363(7) yes
C321 . C322 . 1.378(7) yes
C321 . H3211 . 0.950 no
C322 . C323 . 1.390(8) yes
C322 . H3221 . 0.950 no
C323 . C324 . 1.372(8) yes
C323 . H3231 . 0.950 no
C324 . H3241 . 0.950 no
C325 . C326 . 1.375(7) yes
C325 . H3251 . 0.950 no
C326 . C327 . 1.357(7) yes
C326 . H3261 . 0.950 no
C327 . C328 . 1.400(6) yes
C327 . H3271 . 0.950 no
C328 . C329 . 1.497(6) yes
C329 . C334 . 1.406(6) yes
C331 . C332 . 1.376(6) yes
C331 . H3311 . 0.950 no
C332 . C333 . 1.374(7) yes
C332 . H3321 . 0.950 no
C333 . C334 . 1.367(7) yes
C333 . H3331 . 0.950 no
C334 . H3341 . 0.950 no
C335 . C336 . 1.401(6) yes
C335 . C340 . 1.389(5) yes
C336 . C337 . 1.389(6) yes
C336 . H3361 . 0.950 no
C337 . C338 . 1.356(7) yes
C337 . H3371 . 0.950 no
C338 . C339 . 1.376(7) yes
C338 . H3381 . 0.950 no
C339 . C340 . 1.386(6) yes
C339 . H3391 . 0.950 no
C340 . H3401 . 0.950 no
C341 . C342 . 1.383(5) yes
C341 . C346 . 1.403(5) yes
C342 . C343 . 1.385(6) yes
C342 . H3421 . 0.950 no
C343 . C344 . 1.388(7) yes
C343 . H3431 . 0.950 no
C344 . C345 . 1.381(7) yes
C344 . H3441 . 0.950 no
C345 . C346 . 1.393(6) yes
C345 . H3451 . 0.950 no
C346 . H3461 . 0.950 no
C347 . C348 . 1.363(6) yes
C347 . C352 . 1.392(5) yes
C348 . C349 . 1.384(7) yes
C348 . H3481 . 0.950 no
C349 . C350 . 1.361(8) yes
C349 . H3491 . 0.950 no
C350 . C351 . 1.360(7) yes
C350 . H3501 . 0.950 no
C351 . C352 . 1.374(6) yes
C351 . H3511 . 0.950 no
C352 . H3521 . 0.950 no
C353 . C354 . 1.379(5) yes
C353 . C358 . 1.396(5) yes
C354 . C355 . 1.389(6) yes
C354 . H3541 . 0.950 no
C355 . C356 . 1.372(7) yes
C355 . H3551 . 0.950 no
C356 . C357 . 1.377(7) yes
C356 . H3561 . 0.950 no
C357 . C358 . 1.386(6) yes
C357 . H3571 . 0.950 no
C358 . H3581 . 0.950 no
C360 . C361 . 1.488(5) yes
C360 . C367 . 1.392(5) yes
C361 . C366 . 1.397(6) yes
C363 . C364 . 1.378(6) yes
C363 . H3631 . 0.950 no
C364 . C365 . 1.371(6) yes
C364 . H3641 . 0.950 no
C365 . C366 . 1.373(6) yes
C365 . H3651 . 0.950 no
C366 . H3661 . 0.950 no
C367 . C368 . 1.382(6) yes
C367 . H3671 . 0.950 no
C368 . C369 . 1.379(6) yes
C368 . H3681 . 0.950 no
C369 . C370 . 1.399(5) yes
C369 . H3691 . 0.950 no
C370 . C371 . 1.479(6) yes
C371 . C376 . 1.401(5) yes
C373 . C374 . 1.387(6) yes
C373 . H3731 . 0.950 no
C374 . C375 . 1.375(7) yes
C374 . H3741 . 0.950 no
C375 . C376 . 1.381(6) yes
C375 . H3751 . 0.950 no
C376 . H3761 . 0.950 no
C378 . H3781 . 0.950 no
C378 . H3782 . 0.950 no
C381 . H3811 . 0.950 no
C381 . H3812 . 0.950 no
C440 . H4401 . 0.950 no
C440 . H4402 . 0.950 no
Cl7 . C1 . 1.749(11) yes
Cl8 . C1 . 2.171(12) yes
C1 . H10 . 0.950 no
C1 . H11 . 0.950 no
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_site_symmetry_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
P2 . Ag1 . P4 . 121.25(3) yes
P2 . Ag1 . N1 . 102.89(8) yes
P4 . Ag1 . N1 . 108.56(8) yes
P2 . Ag1 . N2 . 137.50(7) yes
P4 . Ag1 . N2 . 100.44(7) yes
N1 . Ag1 . N2 . 67.86(11) yes
P2 . Ag1 . N3 . 105.78(8) yes
P4 . Ag1 . N3 . 85.44(8) yes
N1 . Ag1 . N3 . 134.52(10) yes
N2 . Ag1 . N3 . 67.09(10) yes
P1 . Ag2 . P3 . 132.46(3) yes
P1 . Ag2 . N4 . 109.42(8) yes
P3 . Ag2 . N4 . 109.02(9) yes
P1 . Ag2 . N5 . 119.75(7) yes
P3 . Ag2 . N5 . 99.15(7) yes
N4 . Ag2 . N5 . 69.77(10) yes
P1 . Ag2 . N6 . 89.95(7) yes
P3 . Ag2 . N6 . 83.47(7) yes
N4 . Ag2 . N6 . 133.32(10) yes
N5 . Ag2 . N6 . 63.80(10) yes
P5 . Ag3 . P8 . 122.18(3) yes
P5 . Ag3 . N7 . 110.68(8) yes
P8 . Ag3 . N7 . 91.52(8) yes
P5 . Ag3 . N8 . 142.14(8) yes
P8 . Ag3 . N8 . 95.36(8) yes
N7 . Ag3 . N8 . 69.37(11) yes
P5 . Ag3 . N9 . 94.43(8) yes
P8 . Ag3 . N9 . 109.95(8) yes
N7 . Ag3 . N9 . 131.20(11) yes
N8 . Ag3 . N9 . 65.51(11) yes
P6 . Ag4 . P7 . 123.92(3) yes
P6 . Ag4 . N10 . 114.55(8) yes
P7 . Ag4 . N10 . 108.87(8) yes
P6 . Ag4 . N11 . 123.43(8) yes
P7 . Ag4 . N11 . 103.59(8) yes
N10 . Ag4 . N11 . 69.71(11) yes
P6 . Ag4 . N12 . 88.49(7) yes
P7 . Ag4 . N12 . 85.02(7) yes
N10 . Ag4 . N12 . 134.75(10) yes
N11 . Ag4 . N12 . 65.15(10) yes
P9 . Ag5 . P12 . 129.17(3) yes
P9 . Ag5 . N13 . 86.27(8) yes
P12 . Ag5 . N13 . 103.22(8) yes
P9 . Ag5 . N14 . 96.99(7) yes
P12 . Ag5 . N14 . 132.79(8) yes
N13 . Ag5 . N14 . 66.05(10) yes
P9 . Ag5 . N15 . 105.94(9) yes
P12 . Ag5 . N15 . 102.06(8) yes
N13 . Ag5 . N15 . 134.23(10) yes
N14 . Ag5 . N15 . 68.72(11) yes
P10 . Ag6 . P11 . 124.57(3) yes
P10 . Ag6 . N16 . 86.76(8) yes
P11 . Ag6 . N16 . 106.35(8) yes
P10 . Ag6 . N17 . 99.10(8) yes
P11 . Ag6 . N17 . 135.82(8) yes
N16 . Ag6 . N17 . 66.21(11) yes
P10 . Ag6 . N18 . 108.81(10) yes
P11 . Ag6 . N18 . 100.36(9) yes
N16 . Ag6 . N18 . 132.99(12) yes
N17 . Ag6 . N18 . 67.60(12) yes
P13 . Ag7 . P16 . 125.09(3) yes
P13 . Ag7 . N19 . 109.43(9) yes
P16 . Ag7 . N19 . 98.49(8) yes
P13 . Ag7 . N20 . 103.51(7) yes
P16 . Ag7 . N20 . 130.83(7) yes
N19 . Ag7 . N20 . 68.68(11) yes
P13 . Ag7 . N21 . 88.01(8) yes
P16 . Ag7 . N21 . 104.83(8) yes
N19 . Ag7 . N21 . 134.65(11) yes
N20 . Ag7 . N21 . 66.59(10) yes
P14 . Ag8 . P15 . 124.55(3) yes
P14 . Ag8 . N22 . 84.39(9) yes
P15 . Ag8 . N22 . 99.97(8) yes
P14 . Ag8 . N23 . 96.44(8) yes
P15 . Ag8 . N23 . 136.09(8) yes
N22 . Ag8 . N23 . 66.08(12) yes
P14 . Ag8 . N24 . 109.24(10) yes
P15 . Ag8 . N24 . 106.83(9) yes
N22 . Ag8 . N24 . 133.20(12) yes
N23 . Ag8 . N24 . 67.97(12) yes
Ag2 . P1 . C4 . 109.68(12) yes
Ag2 . P1 . C53 . 127.08(13) yes
C4 . P1 . C53 . 95.54(16) yes
Ag2 . P1 . C59 . 114.95(12) yes
C4 . P1 . C59 . 102.84(17) yes
C53 . P1 . C59 . 102.87(17) yes
Ag1 . P2 . C3 . 111.03(12) yes
Ag1 . P2 . C65 . 118.53(12) yes
C3 . P2 . C65 . 102.71(17) yes
Ag1 . P2 . C71 . 116.67(12) yes
C3 . P2 . C71 . 97.70(16) yes
C65 . P2 . C71 . 107.37(16) yes
Ag2 . P3 . C8 . 125.36(12) yes
Ag2 . P3 . C14 . 113.26(12) yes
C8 . P3 . C14 . 101.07(16) yes
Ag2 . P3 . C29 . 110.28(12) yes
C8 . P3 . C29 . 101.38(16) yes
C14 . P3 . C29 . 102.75(16) yes
Ag1 . P4 . C15 . 112.88(12) yes
Ag1 . P4 . C17 . 110.25(12) yes
C15 . P4 . C17 . 101.98(16) yes
Ag1 . P4 . C23 . 118.93(12) yes
C15 . P4 . C23 . 103.79(16) yes
C17 . P4 . C23 . 107.49(16) yes
Ag3 . P5 . C97 . 109.42(12) yes
Ag3 . P5 . C159 . 120.80(12) yes
C97 . P5 . C159 . 101.82(17) yes
Ag3 . P5 . C165 . 116.75(12) yes
C97 . P5 . C165 . 98.98(16) yes
C159 . P5 . C165 . 105.90(17) yes
Ag4 . P6 . C98 . 111.04(12) yes
Ag4 . P6 . C147 . 115.38(12) yes
C98 . P6 . C147 . 101.63(17) yes
Ag4 . P6 . C153 . 122.95(12) yes
C98 . P6 . C153 . 97.39(16) yes
C147 . P6 . C153 . 105.10(16) yes
Ag4 . P7 . C102 . 117.35(12) yes
Ag4 . P7 . C117 . 111.28(12) yes
C102 . P7 . C117 . 103.33(17) yes
Ag4 . P7 . C123 . 118.31(13) yes
C102 . P7 . C123 . 98.81(17) yes
C117 . P7 . C123 . 105.92(17) yes
Ag3 . P8 . C103 . 110.34(12) yes
Ag3 . P8 . C105 . 120.91(13) yes
C103 . P8 . C105 . 103.91(17) yes
Ag3 . P8 . C111 . 111.10(13) yes
C103 . P8 . C111 . 102.92(18) yes
C105 . P8 . C111 . 106.00(18) yes
Ag5 . P9 . C191 . 113.72(12) yes
Ag5 . P9 . C253 . 119.64(13) yes
C191 . P9 . C253 . 102.78(16) yes
Ag5 . P9 . C259 . 110.60(11) yes
C191 . P9 . C259 . 103.92(16) yes
C253 . P9 . C259 . 104.64(16) yes
Ag6 . P10 . C192 . 111.63(12) yes
Ag6 . P10 . C241 . 120.50(12) yes
C192 . P10 . C241 . 104.10(16) yes
Ag6 . P10 . C247 . 110.48(12) yes
C192 . P10 . C247 . 102.80(18) yes
C241 . P10 . C247 . 105.69(17) yes
Ag6 . P11 . C196 . 114.11(13) yes
Ag6 . P11 . C211 . 117.19(13) yes
C196 . P11 . C211 . 99.13(17) yes
Ag6 . P11 . C217 . 114.40(14) yes
C196 . P11 . C217 . 101.98(18) yes
C211 . P11 . C217 . 108.0(2) yes
Ag5 . P12 . C197 . 109.53(13) yes
Ag5 . P12 . C199 . 118.60(13) yes
C197 . P12 . C199 . 98.71(17) yes
Ag5 . P12 . C205 . 118.35(12) yes
C197 . P12 . C205 . 104.43(18) yes
C199 . P12 . C205 . 104.66(17) yes
Ag7 . P13 . C285 . 113.87(13) yes
Ag7 . P13 . C347 . 109.56(12) yes
C285 . P13 . C347 . 103.75(17) yes
Ag7 . P13 . C353 . 119.72(12) yes
C285 . P13 . C353 . 102.42(17) yes
C347 . P13 . C353 . 106.08(17) yes
Ag8 . P14 . C286 . 112.40(13) yes
Ag8 . P14 . C335 . 120.49(13) yes
C286 . P14 . C335 . 102.38(18) yes
Ag8 . P14 . C341 . 111.51(12) yes
C286 . P14 . C341 . 102.62(17) yes
C335 . P14 . C341 . 105.61(17) yes
Ag8 . P15 . C290 . 114.28(12) yes
Ag8 . P15 . C305 . 116.57(14) yes
C290 . P15 . C305 . 96.99(17) yes
Ag8 . P15 . C311 . 118.28(13) yes
C290 . P15 . C311 . 100.84(18) yes
C305 . P15 . C311 . 106.80(18) yes
Ag7 . P16 . C291 . 107.97(12) yes
Ag7 . P16 . C293 . 118.30(12) yes
C291 . P16 . C293 . 103.58(18) yes
Ag7 . P16 . C299 . 116.44(14) yes
C291 . P16 . C299 . 102.32(18) yes
C293 . P16 . C299 . 106.31(18) yes
F1 . P17 . F2 . 89.51(13) yes
F1 . P17 . F3 . 179.84(15) yes
F2 . P17 . F3 . 90.63(14) yes
F1 . P17 . F4 . 89.81(13) yes
F2 . P17 . F4 . 89.62(13) yes
F3 . P17 . F4 . 90.29(15) yes
F1 . P17 . F5 . 89.72(13) yes
F2 . P17 . F5 . 179.17(14) yes
F3 . P17 . F5 . 90.15(14) yes
F4 . P17 . F5 . 90.07(12) yes
F1 . P17 . F6 . 89.73(15) yes
F2 . P17 . F6 . 89.85(14) yes
F3 . P17 . F6 . 90.18(16) yes
F4 . P17 . F6 . 179.30(15) yes
F5 . P17 . F6 . 90.45(13) yes
F7 . P18 . F8 . 89.38(15) yes
F7 . P18 . F9 . 90.42(14) yes
F8 . P18 . F9 . 90.62(13) yes
F7 . P18 . F10 . 90.35(16) yes
F8 . P18 . F10 . 178.71(15) yes
F9 . P18 . F10 . 90.65(14) yes
F7 . P18 . F11 . 178.79(16) yes
F8 . P18 . F11 . 89.66(13) yes
F9 . P18 . F11 . 90.32(14) yes
F10 . P18 . F11 . 90.60(15) yes
F7 . P18 . F12 . 89.71(13) yes
F8 . P18 . F12 . 89.31(14) yes
F9 . P18 . F12 . 179.85(14) yes
F10 . P18 . F12 . 89.43(15) yes
F11 . P18 . F12 . 89.54(13) yes
F13 . P19 . F14 . 90.25(14) yes
F13 . P19 . F15 . 179.56(17) yes
F14 . P19 . F15 . 89.84(14) yes
F13 . P19 . F16 . 89.85(14) yes
F14 . P19 . F16 . 179.53(16) yes
F15 . P19 . F16 . 90.04(14) yes
F13 . P19 . F17 . 89.55(15) yes
F14 . P19 . F17 . 89.91(14) yes
F15 . P19 . F17 . 90.03(15) yes
F16 . P19 . F17 . 89.62(15) yes
F13 . P19 . F18 . 90.83(17) yes
F14 . P19 . F18 . 90.02(16) yes
F15 . P19 . F18 . 89.60(16) yes
F16 . P19 . F18 . 90.44(17) yes
F17 . P19 . F18 . 179.62(16) yes
F19 . P20 . F20 . 90.26(14) yes
F19 . P20 . F21 . 89.89(15) yes
F20 . P20 . F21 . 89.82(13) yes
F19 . P20 . F22 . 89.32(15) yes
F20 . P20 . F22 . 179.39(15) yes
F21 . P20 . F22 . 89.74(14) yes
F19 . P20 . F23 . 89.39(14) yes
F20 . P20 . F23 . 89.99(14) yes
F21 . P20 . F23 . 179.26(16) yes
F22 . P20 . F23 . 90.45(14) yes
F19 . P20 . F24 . 179.75(16) yes
F20 . P20 . F24 . 89.99(15) yes
F21 . P20 . F24 . 90.12(16) yes
F22 . P20 . F24 . 90.43(16) yes
F23 . P20 . F24 . 90.59(16) yes
F25 . P21 . F26 . 90.44(14) yes
F25 . P21 . F27 . 90.07(14) yes
F26 . P21 . F27 . 89.35(16) yes
F25 . P21 . F28 . 179.35(15) yes
F26 . P21 . F28 . 90.06(14) yes
F27 . P21 . F28 . 89.53(16) yes
F25 . P21 . F29 . 89.95(14) yes
F26 . P21 . F29 . 179.31(18) yes
F27 . P21 . F29 . 90.08(18) yes
F28 . P21 . F29 . 89.54(14) yes
F25 . P21 . F30 . 90.32(16) yes
F26 . P21 . F30 . 89.07(16) yes
F27 . P21 . F30 . 178.38(17) yes
F28 . P21 . F30 . 90.09(17) yes
F29 . P21 . F30 . 91.49(19) yes
F31 . P22 . F32 . 90.22(17) yes
F31 . P22 . F33 . 179.39(17) yes
F32 . P22 . F33 . 90.37(14) yes
F31 . P22 . F34 . 90.38(18) yes
F32 . P22 . F34 . 178.92(18) yes
F33 . P22 . F34 . 89.03(15) yes
F31 . P22 . F35 . 90.19(16) yes
F32 . P22 . F35 . 89.82(18) yes
F33 . P22 . F35 . 90.00(15) yes
F34 . P22 . F35 . 91.08(19) yes
F31 . P22 . F36 . 89.48(14) yes
F32 . P22 . F36 . 89.92(14) yes
F33 . P22 . F36 . 90.33(13) yes
F34 . P22 . F36 . 89.19(16) yes
F35 . P22 . F36 . 179.58(17) yes
F37 . P23 . F38 . 90.11(14) yes
F37 . P23 . F39 . 89.85(14) yes
F38 . P23 . F39 . 179.89(16) yes
F37 . P23 . F40 . 178.6(2) yes
F38 . P23 . F40 . 89.52(16) yes
F39 . P23 . F40 . 90.52(15) yes
F37 . P23 . F41 . 88.91(17) yes
F38 . P23 . F41 . 89.86(16) yes
F39 . P23 . F41 . 90.24(15) yes
F40 . P23 . F41 . 89.8(2) yes
F37 . P23 . F42 . 89.84(16) yes
F38 . P23 . F42 . 90.67(15) yes
F39 . P23 . F42 . 89.22(15) yes
F40 . P23 . F42 . 91.5(2) yes
F41 . P23 . F42 . 178.6(2) yes
F43 . P24 . F44 . 89.9(2) yes
F43 . P24 . F45 . 177.98(19) yes
F44 . P24 . F45 . 90.5(2) yes
F43 . P24 . F46 . 89.89(16) yes
F44 . P24 . F46 . 179.54(15) yes
F45 . P24 . F46 . 89.70(17) yes
F43 . P24 . F47 . 91.6(2) yes
F44 . P24 . F47 . 89.94(16) yes
F45 . P24 . F47 . 90.3(2) yes
F46 . P24 . F47 . 90.49(16) yes
F43 . P24 . F48 . 89.09(16) yes
F44 . P24 . F48 . 89.70(15) yes
F45 . P24 . F48 . 88.94(17) yes
F46 . P24 . F48 . 89.87(14) yes
F47 . P24 . F48 . 179.19(19) yes
Ag1 . N1 . C79 . 117.0(3) yes
Ag1 . N1 . C81 . 123.8(3) yes
C79 . N1 . C81 . 118.7(3) yes
Ag1 . N2 . C78 . 118.2(2) yes
Ag1 . N2 . C88 . 118.7(2) yes
C78 . N2 . C88 . 119.4(3) yes
Ag1 . N3 . C89 . 116.7(2) yes
Ag1 . N3 . C91 . 123.9(3) yes
C89 . N3 . C91 . 119.2(3) yes
Ag2 . N4 . C41 . 116.4(2) yes
Ag2 . N4 . C43 . 122.9(2) yes
C41 . N4 . C43 . 118.2(3) yes
Ag2 . N5 . C36 . 123.1(2) yes
Ag2 . N5 . C40 . 115.7(2) yes
C36 . N5 . C40 . 119.3(3) yes
Ag2 . N6 . C47 . 112.1(2) yes
Ag2 . N6 . C49 . 125.0(3) yes
C47 . N6 . C49 . 118.3(3) yes
Ag3 . N7 . C173 . 116.5(3) yes
Ag3 . N7 . C175 . 124.5(3) yes
C173 . N7 . C175 . 119.0(4) yes
Ag3 . N8 . C172 . 118.8(3) yes
Ag3 . N8 . C182 . 121.2(3) yes
C172 . N8 . C182 . 119.2(3) yes
Ag3 . N9 . C183 . 101.9(2) yes
Ag3 . N9 . C185 . 122.9(3) yes
C183 . N9 . C185 . 116.9(4) yes
Ag4 . N10 . C141 . 114.3(2) yes
Ag4 . N10 . C143 . 124.9(3) yes
C141 . N10 . C143 . 118.2(3) yes
Ag4 . N11 . C130 . 122.4(2) yes
Ag4 . N11 . C140 . 117.5(2) yes
C130 . N11 . C140 . 119.5(3) yes
Ag4 . N12 . C131 . 108.1(2) yes
Ag4 . N12 . C133 . 125.0(2) yes
C131 . N12 . C133 . 117.6(3) yes
Ag5 . N13 . C267 . 113.5(2) yes
Ag5 . N13 . C269 . 123.3(3) yes
C267 . N13 . C269 . 118.1(3) yes
Ag5 . N14 . C266 . 120.2(2) yes
Ag5 . N14 . C276 . 118.9(2) yes
C266 . N14 . C276 . 119.7(3) yes
Ag5 . N15 . C277 . 115.2(3) yes
Ag5 . N15 . C279 . 124.8(3) yes
C277 . N15 . C279 . 118.6(3) yes
Ag6 . N16 . C229 . 117.0(3) yes
Ag6 . N16 . C231 . 124.6(3) yes
C229 . N16 . C231 . 117.6(4) yes
Ag6 . N17 . C224 . 118.2(3) yes
Ag6 . N17 . C228 . 119.6(2) yes
C224 . N17 . C228 . 119.4(3) yes
Ag6 . N18 . C235 . 117.2(3) yes
Ag6 . N18 . C237 . 124.5(3) yes
C235 . N18 . C237 . 118.2(4) yes
Ag7 . N19 . C371 . 115.5(3) yes
Ag7 . N19 . C373 . 123.5(3) yes
C371 . N19 . C373 . 119.1(3) yes
Ag7 . N20 . C360 . 119.8(2) yes
Ag7 . N20 . C370 . 118.1(3) yes
C360 . N20 . C370 . 120.0(3) yes
Ag7 . N21 . C361 . 115.3(2) yes
Ag7 . N21 . C363 . 124.5(3) yes
C361 . N21 . C363 . 118.3(3) yes
Ag8 . N22 . C319 . 116.8(3) yes
Ag8 . N22 . C321 . 123.1(3) yes
C319 . N22 . C321 . 118.8(4) yes
Ag8 . N23 . C318 . 120.4(3) yes
Ag8 . N23 . C328 . 118.0(3) yes
C318 . N23 . C328 . 119.6(4) yes
Ag8 . N24 . C329 . 117.8(3) yes
Ag8 . N24 . C331 . 124.0(3) yes
C329 . N24 . C331 . 118.2(4) yes
P2 . C3 . C4 . 175.9(3) yes
P1 . C4 . C3 . 173.8(3) yes
P3 . C8 . C9 . 121.8(3) yes
P3 . C8 . C13 . 119.7(3) yes
C9 . C8 . C13 . 118.4(3) yes
C8 . C9 . C10 . 120.5(4) yes
C8 . C9 . H91 . 119.8 no
C10 . C9 . H91 . 119.7 no
C9 . C10 . C11 . 120.1(4) yes
C9 . C10 . H101 . 120.0 no
C11 . C10 . H101 . 120.0 no
C10 . C11 . C12 . 120.7(4) yes
C10 . C11 . H111 . 119.7 no
C12 . C11 . H111 . 119.6 no
C11 . C12 . C13 . 119.5(4) yes
C11 . C12 . H121 . 120.2 no
C13 . C12 . H121 . 120.2 no
C8 . C13 . C12 . 120.8(4) yes
C8 . C13 . H131 . 119.6 no
C12 . C13 . H131 . 119.6 no
P3 . C14 . C15 . 176.2(3) yes
P4 . C15 . C14 . 173.2(3) yes
P4 . C17 . C18 . 121.4(3) yes
P4 . C17 . C22 . 118.3(3) yes
C18 . C17 . C22 . 119.7(3) yes
C17 . C18 . C19 . 119.8(4) yes
C17 . C18 . H181 . 120.1 no
C19 . C18 . H181 . 120.1 no
C18 . C19 . C20 . 119.9(4) yes
C18 . C19 . H191 . 120.0 no
C20 . C19 . H191 . 120.0 no
C19 . C20 . C21 . 120.5(4) yes
C19 . C20 . H201 . 119.8 no
C21 . C20 . H201 . 119.8 no
C20 . C21 . C22 . 120.3(4) yes
C20 . C21 . H211 . 119.8 no
C22 . C21 . H211 . 119.9 no
C21 . C22 . C17 . 119.7(4) yes
C21 . C22 . H221 . 120.1 no
C17 . C22 . H221 . 120.1 no
P4 . C23 . C24 . 116.7(3) yes
P4 . C23 . C28 . 123.0(3) yes
C24 . C23 . C28 . 120.1(3) yes
C23 . C24 . C25 . 119.9(4) yes
C23 . C24 . H241 . 120.1 no
C25 . C24 . H241 . 120.1 no
C24 . C25 . C26 . 120.5(4) yes
C24 . C25 . H251 . 119.8 no
C26 . C25 . H251 . 119.8 no
C25 . C26 . C27 . 119.8(4) yes
C25 . C26 . H261 . 120.1 no
C27 . C26 . H261 . 120.2 no
C26 . C27 . C28 . 121.0(4) yes
C26 . C27 . H271 . 119.5 no
C28 . C27 . H271 . 119.6 no
C27 . C28 . C23 . 118.8(4) yes
C27 . C28 . H281 . 120.6 no
C23 . C28 . H281 . 120.6 no
P3 . C29 . C30 . 124.0(3) yes
P3 . C29 . C34 . 117.0(3) yes
C30 . C29 . C34 . 119.0(3) yes
C29 . C30 . C31 . 120.3(4) yes
C29 . C30 . H301 . 119.9 no
C31 . C30 . H301 . 119.8 no
C30 . C31 . C32 . 120.6(4) yes
C30 . C31 . H311 . 119.7 no
C32 . C31 . H311 . 119.7 no
C31 . C32 . C33 . 119.5(4) yes
C31 . C32 . H321 . 120.3 no
C33 . C32 . H321 . 120.3 no
C32 . C33 . C34 . 120.8(4) yes
C32 . C33 . H331 . 119.6 no
C34 . C33 . H331 . 119.6 no
C29 . C34 . C33 . 119.8(4) yes
C29 . C34 . H341 . 120.1 no
C33 . C34 . H341 . 120.1 no
N5 . C36 . C37 . 121.5(4) yes
N5 . C36 . C47 . 117.3(3) yes
C37 . C36 . C47 . 121.2(3) yes
C36 . C37 . C38 . 119.2(4) yes
C36 . C37 . H371 . 120.4 no
C38 . C37 . H371 . 120.4 no
C37 . C38 . C39 . 119.6(4) yes
C37 . C38 . H381 . 120.2 no
C39 . C38 . H381 . 120.2 no
C38 . C39 . C40 . 118.8(4) yes
C38 . C39 . H391 . 120.6 no
C40 . C39 . H391 . 120.6 no
C39 . C40 . N5 . 121.7(4) yes
C39 . C40 . C41 . 121.2(3) yes
N5 . C40 . C41 . 117.1(3) yes
C40 . C41 . N4 . 117.1(3) yes
C40 . C41 . C46 . 121.5(3) yes
N4 . C41 . C46 . 121.4(4) yes
N4 . C43 . C44 . 123.6(4) yes
N4 . C43 . H431 . 118.2 no
C44 . C43 . H431 . 118.2 no
C43 . C44 . C45 . 117.9(4) yes
C43 . C44 . H441 . 121.0 no
C45 . C44 . H441 . 121.0 no
C44 . C45 . C46 . 119.2(4) yes
C44 . C45 . H451 . 120.4 no
C46 . C45 . H451 . 120.4 no
C41 . C46 . C45 . 119.6(4) yes
C41 . C46 . H461 . 120.2 no
C45 . C46 . H461 . 120.2 no
C36 . C47 . N6 . 117.3(3) yes
C36 . C47 . C52 . 121.5(4) yes
N6 . C47 . C52 . 121.2(4) yes
N6 . C49 . C50 . 123.7(4) yes
N6 . C49 . H491 . 118.1 no
C50 . C49 . H491 . 118.2 no
C49 . C50 . C51 . 118.0(4) yes
C49 . C50 . H501 . 121.0 no
C51 . C50 . H501 . 121.0 no
C50 . C51 . C52 . 119.1(4) yes
C50 . C51 . H511 . 120.4 no
C52 . C51 . H511 . 120.4 no
C51 . C52 . C47 . 119.7(4) yes
C51 . C52 . H521 . 120.2 no
C47 . C52 . H521 . 120.2 no
P1 . C53 . C54 . 121.3(3) yes
P1 . C53 . C58 . 120.0(3) yes
C54 . C53 . C58 . 118.2(4) yes
C53 . C54 . C55 . 120.2(4) yes
C53 . C54 . H541 . 119.9 no
C55 . C54 . H541 . 119.9 no
C54 . C55 . C56 . 119.4(4) yes
C54 . C55 . H551 . 120.3 no
C56 . C55 . H551 . 120.3 no
C55 . C56 . C57 . 121.7(4) yes
C55 . C56 . H561 . 119.2 no
C57 . C56 . H561 . 119.2 no
C56 . C57 . C58 . 118.9(4) yes
C56 . C57 . H571 . 120.5 no
C58 . C57 . H571 . 120.6 no
C53 . C58 . C57 . 121.6(4) yes
C53 . C58 . H581 . 119.2 no
C57 . C58 . H581 . 119.2 no
P1 . C59 . C60 . 123.7(3) yes
P1 . C59 . C64 . 117.5(3) yes
C60 . C59 . C64 . 118.8(4) yes
C59 . C60 . C61 . 120.3(4) yes
C59 . C60 . H601 . 119.8 no
C61 . C60 . H601 . 119.9 no
C60 . C61 . C62 . 120.2(5) yes
C60 . C61 . H611 . 119.9 no
C62 . C61 . H611 . 119.9 no
C61 . C62 . C63 . 119.7(4) yes
C61 . C62 . H621 . 120.1 no
C63 . C62 . H621 . 120.2 no
C62 . C63 . C64 . 120.3(5) yes
C62 . C63 . H631 . 119.8 no
C64 . C63 . H631 . 119.8 no
C63 . C64 . C59 . 120.6(4) yes
C63 . C64 . H641 . 119.7 no
C59 . C64 . H641 . 119.7 no
P2 . C65 . C66 . 122.9(3) yes
P2 . C65 . C70 . 118.0(3) yes
C66 . C65 . C70 . 118.9(3) yes
C65 . C66 . C67 . 120.5(4) yes
C65 . C66 . H661 . 119.8 no
C67 . C66 . H661 . 119.8 no
C66 . C67 . C68 . 120.2(4) yes
C66 . C67 . H671 . 119.9 no
C68 . C67 . H671 . 119.9 no
C67 . C68 . C69 . 120.0(4) yes
C67 . C68 . H681 . 120.0 no
C69 . C68 . H681 . 120.0 no
C68 . C69 . C70 . 119.9(4) yes
C68 . C69 . H691 . 120.1 no
C70 . C69 . H691 . 120.1 no
C65 . C70 . C69 . 120.6(4) yes
C65 . C70 . H701 . 119.7 no
C69 . C70 . H701 . 119.7 no
P2 . C71 . C72 . 118.3(3) yes
P2 . C71 . C76 . 121.7(3) yes
C72 . C71 . C76 . 119.6(3) yes
C71 . C72 . C73 . 120.1(4) yes
C71 . C72 . H721 . 119.9 no
C73 . C72 . H721 . 119.9 no
C72 . C73 . C74 . 119.3(4) yes
C72 . C73 . H731 . 120.4 no
C74 . C73 . H731 . 120.4 no
C73 . C74 . C75 . 121.2(4) yes
C73 . C74 . H741 . 119.4 no
C75 . C74 . H741 . 119.4 no
C74 . C75 . C76 . 120.2(4) yes
C74 . C75 . H751 . 119.9 no
C76 . C75 . H751 . 119.9 no
C71 . C76 . C75 . 119.6(4) yes
C71 . C76 . H761 . 120.2 no
C75 . C76 . H761 . 120.2 no
N2 . C78 . C79 . 117.3(3) yes
N2 . C78 . C85 . 121.8(4) yes
C79 . C78 . C85 . 121.0(3) yes
C78 . C79 . N1 . 116.4(3) yes
C78 . C79 . C84 . 122.3(4) yes
N1 . C79 . C84 . 121.3(4) yes
N1 . C81 . C82 . 123.1(4) yes
N1 . C81 . H811 . 118.4 no
C82 . C81 . H811 . 118.4 no
C81 . C82 . C83 . 118.3(4) yes
C81 . C82 . H821 . 120.9 no
C83 . C82 . H821 . 120.8 no
C82 . C83 . C84 . 119.1(4) yes
C82 . C83 . H831 . 120.4 no
C84 . C83 . H831 . 120.5 no
C79 . C84 . C83 . 119.5(4) yes
C79 . C84 . H841 . 120.3 no
C83 . C84 . H841 . 120.3 no
C78 . C85 . C86 . 118.6(4) yes
C78 . C85 . H851 . 120.7 no
C86 . C85 . H851 . 120.7 no
C85 . C86 . C87 . 119.6(4) yes
C85 . C86 . H861 . 120.2 no
C87 . C86 . H861 . 120.2 no
C86 . C87 . C88 . 119.2(4) yes
C86 . C87 . H871 . 120.4 no
C88 . C87 . H871 . 120.4 no
C87 . C88 . N2 . 121.5(4) yes
C87 . C88 . C89 . 121.6(4) yes
N2 . C88 . C89 . 116.9(3) yes
C88 . C89 . N3 . 116.9(3) yes
C88 . C89 . C94 . 122.4(4) yes
N3 . C89 . C94 . 120.7(4) yes
N3 . C91 . C92 . 123.1(4) yes
N3 . C91 . H911 . 118.5 no
C92 . C91 . H911 . 118.5 no
C91 . C92 . C93 . 118.2(4) yes
C91 . C92 . H921 . 120.9 no
C93 . C92 . H921 . 120.9 no
C92 . C93 . C94 . 119.4(4) yes
C92 . C93 . H931 . 120.3 no
C94 . C93 . H931 . 120.3 no
C89 . C94 . C93 . 119.5(4) yes
C89 . C94 . H941 . 120.3 no
C93 . C94 . H941 . 120.2 no
P5 . C97 . C98 . 175.5(3) yes
P6 . C98 . C97 . 174.9(3) yes
P7 . C102 . C103 . 174.8(3) yes
P8 . C103 . C102 . 173.9(3) yes
P8 . C105 . C106 . 123.6(3) yes
P8 . C105 . C110 . 117.1(3) yes
C106 . C105 . C110 . 119.3(4) yes
C105 . C106 . C107 . 119.7(4) yes
C105 . C106 . H1061 . 120.2 no
C107 . C106 . H1061 . 120.2 no
C106 . C107 . C108 . 120.5(4) yes
C106 . C107 . H1071 . 119.8 no
C108 . C107 . H1071 . 119.8 no
C107 . C108 . C109 . 119.6(4) yes
C107 . C108 . H1081 . 120.2 no
C109 . C108 . H1081 . 120.2 no
C108 . C109 . C110 . 120.7(4) yes
C108 . C109 . H1091 . 119.7 no
C110 . C109 . H1091 . 119.6 no
C105 . C110 . C109 . 120.3(4) yes
C105 . C110 . H1101 . 119.8 no
C109 . C110 . H1101 . 119.9 no
P8 . C111 . C112 . 120.9(3) yes
P8 . C111 . C116 . 118.3(3) yes
C112 . C111 . C116 . 120.1(4) yes
C111 . C112 . C113 . 119.6(5) yes
C111 . C112 . H1121 . 120.3 no
C113 . C112 . H1121 . 120.2 no
C112 . C113 . C114 . 119.9(5) yes
C112 . C113 . H1131 . 120.1 no
C114 . C113 . H1131 . 120.0 no
C113 . C114 . C115 . 120.1(5) yes
C113 . C114 . H1141 . 120.0 no
C115 . C114 . H1141 . 120.0 no
C114 . C115 . C116 . 120.6(5) yes
C114 . C115 . H1151 . 119.7 no
C116 . C115 . H1151 . 119.7 no
C111 . C116 . C115 . 119.8(5) yes
C111 . C116 . H1161 . 120.2 no
C115 . C116 . H1161 . 120.1 no
P7 . C117 . C118 . 124.3(3) yes
P7 . C117 . C122 . 116.7(3) yes
C118 . C117 . C122 . 118.9(4) yes
C117 . C118 . C119 . 120.5(5) yes
C117 . C118 . H1181 . 119.7 no
C119 . C118 . H1181 . 119.8 no
C118 . C119 . C120 . 120.4(5) yes
C118 . C119 . H1191 . 119.8 no
C120 . C119 . H1191 . 119.8 no
C119 . C120 . C121 . 119.8(4) yes
C119 . C120 . H1201 . 120.1 no
C121 . C120 . H1201 . 120.1 no
C120 . C121 . C122 . 120.5(4) yes
C120 . C121 . H1211 . 119.7 no
C122 . C121 . H1211 . 119.7 no
C117 . C122 . C121 . 119.9(4) yes
C117 . C122 . H1221 . 120.1 no
C121 . C122 . H1221 . 120.1 no
P7 . C123 . C124 . 119.1(3) yes
P7 . C123 . C128 . 121.9(3) yes
C124 . C123 . C128 . 118.9(4) yes
C123 . C124 . C125 . 120.0(4) yes
C123 . C124 . H1241 . 120.0 no
C125 . C124 . H1241 . 120.0 no
C124 . C125 . C126 . 120.0(4) yes
C124 . C125 . H1251 . 120.0 no
C126 . C125 . H1251 . 120.0 no
C125 . C126 . C127 . 120.3(4) yes
C125 . C126 . H1261 . 119.9 no
C127 . C126 . H1261 . 119.8 no
C126 . C127 . C128 . 119.5(5) yes
C126 . C127 . H1271 . 120.2 no
C128 . C127 . H1271 . 120.2 no
C127 . C128 . C123 . 121.1(5) yes
C127 . C128 . H1281 . 119.4 no
C123 . C128 . H1281 . 119.5 no
N11 . C130 . C131 . 117.8(3) yes
N11 . C130 . C137 . 121.4(4) yes
C131 . C130 . C137 . 120.8(4) yes
C130 . C131 . N12 . 117.1(3) yes
C130 . C131 . C136 . 121.3(4) yes
N12 . C131 . C136 . 121.6(4) yes
N12 . C133 . C134 . 123.9(4) yes
N12 . C133 . H1331 . 118.1 no
C134 . C133 . H1331 . 118.1 no
C133 . C134 . C135 . 118.2(4) yes
C133 . C134 . H1341 . 120.9 no
C135 . C134 . H1341 . 120.9 no
C134 . C135 . C136 . 118.7(4) yes
C134 . C135 . H1351 . 120.6 no
C136 . C135 . H1351 . 120.7 no
C135 . C136 . C131 . 120.0(4) yes
C135 . C136 . H1361 . 120.0 no
C131 . C136 . H1361 . 120.0 no
C130 . C137 . C138 . 118.7(4) yes
C130 . C137 . H1371 . 120.6 no
C138 . C137 . H1371 . 120.6 no
C137 . C138 . C139 . 120.1(4) yes
C137 . C138 . H1381 . 119.9 no
C139 . C138 . H1381 . 120.0 no
C138 . C139 . C140 . 119.0(4) yes
C138 . C139 . H1391 . 120.4 no
C140 . C139 . H1391 . 120.5 no
C139 . C140 . N11 . 121.2(4) yes
C139 . C140 . C141 . 121.4(4) yes
N11 . C140 . C141 . 117.3(3) yes
C140 . C141 . N10 . 117.1(3) yes
C140 . C141 . C146 . 121.5(3) yes
N10 . C141 . C146 . 121.3(4) yes
N10 . C143 . C144 . 123.4(4) yes
N10 . C143 . H1431 . 118.3 no
C144 . C143 . H1431 . 118.3 no
C143 . C144 . C145 . 118.5(4) yes
C143 . C144 . H1441 . 120.8 no
C145 . C144 . H1441 . 120.8 no
C144 . C145 . C146 . 118.8(4) yes
C144 . C145 . H1451 . 120.6 no
C146 . C145 . H1451 . 120.6 no
C141 . C146 . C145 . 119.7(4) yes
C141 . C146 . H1461 . 120.1 no
C145 . C146 . H1461 . 120.1 no
P6 . C147 . C148 . 123.7(3) yes
P6 . C147 . C152 . 117.0(3) yes
C148 . C147 . C152 . 119.3(4) yes
C147 . C148 . C149 . 120.7(4) yes
C147 . C148 . H1481 . 119.6 no
C149 . C148 . H1481 . 119.7 no
C148 . C149 . C150 . 119.7(4) yes
C148 . C149 . H1491 . 120.2 no
C150 . C149 . H1491 . 120.2 no
C149 . C150 . C151 . 119.8(4) yes
C149 . C150 . H1501 . 120.1 no
C151 . C150 . H1501 . 120.1 no
C150 . C151 . C152 . 120.8(4) yes
C150 . C151 . H1511 . 119.6 no
C152 . C151 . H1511 . 119.6 no
C151 . C152 . C147 . 119.7(4) yes
C151 . C152 . H1521 . 120.2 no
C147 . C152 . H1521 . 120.2 no
P6 . C153 . C154 . 120.4(3) yes
P6 . C153 . C158 . 120.3(3) yes
C154 . C153 . C158 . 119.0(4) yes
C153 . C154 . C155 . 120.4(4) yes
C153 . C154 . H1541 . 119.8 no
C155 . C154 . H1541 . 119.8 no
C154 . C155 . C156 . 119.5(4) yes
C154 . C155 . H1551 . 120.2 no
C156 . C155 . H1551 . 120.2 no
C155 . C156 . C157 . 120.9(4) yes
C155 . C156 . H1561 . 119.5 no
C157 . C156 . H1561 . 119.6 no
C156 . C157 . C158 . 119.3(4) yes
C156 . C157 . H1571 . 120.4 no
C158 . C157 . H1571 . 120.3 no
C153 . C158 . C157 . 120.8(4) yes
C153 . C158 . H1581 . 119.6 no
C157 . C158 . H1581 . 119.6 no
P5 . C159 . C160 . 123.1(3) yes
P5 . C159 . C164 . 117.9(3) yes
C160 . C159 . C164 . 118.9(3) yes
C159 . C160 . C161 . 120.6(4) yes
C159 . C160 . H1601 . 119.7 no
C161 . C160 . H1601 . 119.7 no
C160 . C161 . C162 . 120.4(4) yes
C160 . C161 . H1611 . 119.8 no
C162 . C161 . H1611 . 119.8 no
C161 . C162 . C163 . 119.3(4) yes
C161 . C162 . H1621 . 120.3 no
C163 . C162 . H1621 . 120.3 no
C162 . C163 . C164 . 121.1(4) yes
C162 . C163 . H1631 . 119.5 no
C164 . C163 . H1631 . 119.4 no
C159 . C164 . C163 . 119.6(4) yes
C159 . C164 . H1641 . 120.2 no
C163 . C164 . H1641 . 120.2 no
P5 . C165 . C166 . 118.3(3) yes
P5 . C165 . C170 . 122.6(3) yes
C166 . C165 . C170 . 119.1(4) yes
C165 . C166 . C167 . 120.7(4) yes
C165 . C166 . H1661 . 119.6 no
C167 . C166 . H1661 . 119.6 no
C166 . C167 . C168 . 120.0(4) yes
C166 . C167 . H1671 . 120.0 no
C168 . C167 . H1671 . 119.9 no
C167 . C168 . C169 . 120.1(4) yes
C167 . C168 . H1681 . 120.0 no
C169 . C168 . H1681 . 119.9 no
C168 . C169 . C170 . 120.1(5) yes
C168 . C169 . H1691 . 119.9 no
C170 . C169 . H1691 . 119.9 no
C165 . C170 . C169 . 119.9(4) yes
C165 . C170 . H1701 . 120.1 no
C169 . C170 . H1701 . 120.0 no
N8 . C172 . C173 . 117.2(3) yes
N8 . C172 . C179 . 121.0(4) yes
C173 . C172 . C179 . 121.8(4) yes
C172 . C173 . N7 . 117.3(3) yes
C172 . C173 . C178 . 122.1(4) yes
N7 . C173 . C178 . 120.5(4) yes
N7 . C175 . C176 . 123.0(4) yes
N7 . C175 . H1751 . 118.5 no
C176 . C175 . H1751 . 118.5 no
C175 . C176 . C177 . 118.1(5) yes
C175 . C176 . H1761 . 120.9 no
C177 . C176 . H1761 . 120.9 no
C176 . C177 . C178 . 119.4(4) yes
C176 . C177 . H1771 . 120.3 no
C178 . C177 . H1771 . 120.3 no
C173 . C178 . C177 . 119.8(5) yes
C173 . C178 . H1781 . 120.1 no
C177 . C178 . H1781 . 120.1 no
C172 . C179 . C180 . 119.2(4) yes
C172 . C179 . H1791 . 120.4 no
C180 . C179 . H1791 . 120.4 no
C179 . C180 . C181 . 119.3(4) yes
C179 . C180 . H1801 . 120.4 no
C181 . C180 . H1801 . 120.4 no
C180 . C181 . C182 . 119.2(4) yes
C180 . C181 . H1811 . 120.4 no
C182 . C181 . H1811 . 120.4 no
C181 . C182 . N8 . 122.0(4) yes
C181 . C182 . C183 . 121.1(4) yes
N8 . C182 . C183 . 116.9(3) yes
C182 . C183 . N9 . 117.2(4) yes
C182 . C183 . C188 . 121.0(4) yes
N9 . C183 . C188 . 121.7(4) yes
N9 . C185 . C186 . 124.6(4) yes
N9 . C185 . H1851 . 117.7 no
C186 . C185 . H1851 . 117.7 no
C185 . C186 . C187 . 117.9(4) yes
C185 . C186 . H1861 . 121.1 no
C187 . C186 . H1861 . 121.1 no
C186 . C187 . C188 . 119.3(4) yes
C186 . C187 . H1871 . 120.3 no
C188 . C187 . H1871 . 120.4 no
C183 . C188 . C187 . 119.5(4) yes
C183 . C188 . H1881 . 120.3 no
C187 . C188 . H1881 . 120.3 no
P9 . C191 . C192 . 173.6(3) yes
P10 . C192 . C191 . 173.1(3) yes
P11 . C196 . C197 . 175.5(3) yes
P12 . C197 . C196 . 172.5(3) yes
P12 . C199 . C200 . 118.6(3) yes
P12 . C199 . C204 . 121.3(3) yes
C200 . C199 . C204 . 119.9(4) yes
C199 . C200 . C201 . 120.2(4) yes
C199 . C200 . H2001 . 119.9 no
C201 . C200 . H2001 . 119.9 no
C200 . C201 . C202 . 120.1(4) yes
C200 . C201 . H2011 . 120.0 no
C202 . C201 . H2011 . 119.9 no
C201 . C202 . C203 . 120.1(4) yes
C201 . C202 . H2021 . 120.0 no
C203 . C202 . H2021 . 120.0 no
C202 . C203 . C204 . 120.8(4) yes
C202 . C203 . H2031 . 119.6 no
C204 . C203 . H2031 . 119.6 no
C199 . C204 . C203 . 118.9(4) yes
C199 . C204 . H2041 . 120.6 no
C203 . C204 . H2041 . 120.6 no
P12 . C205 . C206 . 123.4(3) yes
P12 . C205 . C210 . 116.8(3) yes
C206 . C205 . C210 . 119.7(4) yes
C205 . C206 . C207 . 119.9(4) yes
C205 . C206 . H2061 . 120.1 no
C207 . C206 . H2061 . 120.1 no
C206 . C207 . C208 . 120.1(5) yes
C206 . C207 . H2071 . 120.0 no
C208 . C207 . H2071 . 119.9 no
C207 . C208 . C209 . 120.5(4) yes
C207 . C208 . H2081 . 119.7 no
C209 . C208 . H2081 . 119.7 no
C208 . C209 . C210 . 120.3(4) yes
C208 . C209 . H2091 . 119.8 no
C210 . C209 . H2091 . 119.8 no
C209 . C210 . C205 . 119.5(4) yes
C209 . C210 . H2101 . 120.3 no
C205 . C210 . H2101 . 120.3 no
P11 . C211 . C212 . 117.8(3) yes
P11 . C211 . C216 . 123.2(3) yes
C212 . C211 . C216 . 118.6(4) yes
C211 . C212 . C213 . 122.2(4) yes
C211 . C212 . H2121 . 118.9 no
C213 . C212 . H2121 . 118.9 no
C212 . C213 . C214 . 118.8(5) yes
C212 . C213 . H2131 . 120.6 no
C214 . C213 . H2131 . 120.6 no
C213 . C214 . C215 . 120.5(5) yes
C213 . C214 . H2141 . 119.7 no
C215 . C214 . H2141 . 119.7 no
C214 . C215 . C216 . 120.9(5) yes
C214 . C215 . H2151 . 119.5 no
C216 . C215 . H2151 . 119.5 no
C215 . C216 . C211 . 118.9(5) yes
C215 . C216 . H2161 . 120.6 no
C211 . C216 . H2161 . 120.6 no
P11 . C217 . C218 . 117.8(4) yes
P11 . C217 . C222 . 122.3(4) yes
C218 . C217 . C222 . 119.9(4) yes
C217 . C218 . C219 . 121.9(5) yes
C217 . C218 . H2181 . 119.1 no
C219 . C218 . H2181 . 119.0 no
C218 . C219 . C220 . 118.6(6) yes
C218 . C219 . H2191 . 120.7 no
C220 . C219 . H2191 . 120.7 no
C219 . C220 . C221 . 120.9(5) yes
C219 . C220 . H2201 . 119.5 no
C221 . C220 . H2201 . 119.5 no
C220 . C221 . C222 . 120.0(5) yes
C220 . C221 . H2211 . 120.1 no
C222 . C221 . H2211 . 120.0 no
C217 . C222 . C221 . 118.7(5) yes
C217 . C222 . H2221 . 120.7 no
C221 . C222 . H2221 . 120.6 no
N17 . C224 . C225 . 121.5(4) yes
N17 . C224 . C235 . 116.8(4) yes
C225 . C224 . C235 . 121.7(4) yes
C224 . C225 . C226 . 119.2(4) yes
C224 . C225 . H2251 . 120.4 no
C226 . C225 . H2251 . 120.4 no
C225 . C226 . C227 . 119.9(4) yes
C225 . C226 . H2261 . 120.0 no
C227 . C226 . H2261 . 120.1 no
C226 . C227 . C228 . 117.8(5) yes
C226 . C227 . H2271 . 121.1 no
C228 . C227 . H2271 . 121.1 no
C227 . C228 . N17 . 122.2(4) yes
C227 . C228 . C229 . 119.9(4) yes
N17 . C228 . C229 . 117.9(3) yes
C228 . C229 . N16 . 116.0(4) yes
C228 . C229 . C234 . 122.6(4) yes
N16 . C229 . C234 . 121.4(4) yes
N16 . C231 . C232 . 124.1(4) yes
N16 . C231 . H2311 . 118.0 no
C232 . C231 . H2311 . 118.0 no
C231 . C232 . C233 . 118.0(4) yes
C231 . C232 . H2321 . 121.0 no
C233 . C232 . H2321 . 121.0 no
C232 . C233 . C234 . 118.7(4) yes
C232 . C233 . H2331 . 120.7 no
C234 . C233 . H2331 . 120.6 no
C229 . C234 . C233 . 120.2(4) yes
C229 . C234 . H2341 . 119.9 no
C233 . C234 . H2341 . 119.9 no
C224 . C235 . N18 . 117.6(4) yes
C224 . C235 . C240 . 121.1(4) yes
N18 . C235 . C240 . 121.3(4) yes
N18 . C237 . C238 . 123.6(5) yes
N18 . C237 . H2371 . 118.2 no
C238 . C237 . H2371 . 118.2 no
C237 . C238 . C239 . 118.3(5) yes
C237 . C238 . H2381 . 120.8 no
C239 . C238 . H2381 . 120.9 no
C238 . C239 . C240 . 119.1(4) yes
C238 . C239 . H2391 . 120.4 no
C240 . C239 . H2391 . 120.5 no
C235 . C240 . C239 . 119.4(4) yes
C235 . C240 . H2401 . 120.3 no
C239 . C240 . H2401 . 120.3 no
P10 . C241 . C242 . 123.6(3) yes
P10 . C241 . C246 . 117.0(3) yes
C242 . C241 . C246 . 119.4(4) yes
C241 . C242 . C243 . 120.2(4) yes
C241 . C242 . H2421 . 119.9 no
C243 . C242 . H2421 . 119.9 no
C242 . C243 . C244 . 119.7(4) yes
C242 . C243 . H2431 . 120.2 no
C244 . C243 . H2431 . 120.1 no
C243 . C244 . C245 . 120.5(4) yes
C243 . C244 . H2441 . 119.7 no
C245 . C244 . H2441 . 119.7 no
C244 . C245 . C246 . 119.9(4) yes
C244 . C245 . H2451 . 120.0 no
C246 . C245 . H2451 . 120.1 no
C245 . C246 . C241 . 120.2(4) yes
C245 . C246 . H2461 . 119.9 no
C241 . C246 . H2461 . 119.9 no
P10 . C247 . C248 . 122.0(3) yes
P10 . C247 . C252 . 118.4(3) yes
C248 . C247 . C252 . 119.0(4) yes
C247 . C248 . C249 . 120.7(5) yes
C247 . C248 . H2481 . 119.6 no
C249 . C248 . H2481 . 119.6 no
C248 . C249 . C250 . 119.4(5) yes
C248 . C249 . H2491 . 120.3 no
C250 . C249 . H2491 . 120.3 no
C249 . C250 . C251 . 120.2(4) yes
C249 . C250 . H2501 . 119.9 no
C251 . C250 . H2501 . 119.9 no
C250 . C251 . C252 . 120.8(5) yes
C250 . C251 . H2511 . 119.6 no
C252 . C251 . H2511 . 119.6 no
C251 . C252 . C247 . 119.8(5) yes
C251 . C252 . H2521 . 120.1 no
C247 . C252 . H2521 . 120.1 no
P9 . C253 . C254 . 117.1(3) yes
P9 . C253 . C258 . 123.4(3) yes
C254 . C253 . C258 . 119.4(4) yes
C253 . C254 . C255 . 120.0(4) yes
C253 . C254 . H2541 . 120.0 no
C255 . C254 . H2541 . 120.0 no
C254 . C255 . C256 . 120.3(4) yes
C254 . C255 . H2551 . 119.9 no
C256 . C255 . H2551 . 119.8 no
C255 . C256 . C257 . 120.9(4) yes
C255 . C256 . H2561 . 119.6 no
C257 . C256 . H2561 . 119.5 no
C256 . C257 . C258 . 119.3(4) yes
C256 . C257 . H2571 . 120.3 no
C258 . C257 . H2571 . 120.3 no
C253 . C258 . C257 . 120.0(4) yes
C253 . C258 . H2581 . 120.0 no
C257 . C258 . H2581 . 120.0 no
P9 . C259 . C260 . 123.0(3) yes
P9 . C259 . C264 . 117.0(3) yes
C260 . C259 . C264 . 119.8(3) yes
C259 . C260 . C261 . 119.7(4) yes
C259 . C260 . H2601 . 120.1 no
C261 . C260 . H2601 . 120.2 no
C260 . C261 . C262 . 120.5(4) yes
C260 . C261 . H2611 . 119.7 no
C262 . C261 . H2611 . 119.7 no
C261 . C262 . C263 . 120.2(4) yes
C261 . C262 . H2621 . 119.9 no
C263 . C262 . H2621 . 119.9 no
C262 . C263 . C264 . 120.1(4) yes
C262 . C263 . H2631 . 120.0 no
C264 . C263 . H2631 . 120.0 no
C259 . C264 . C263 . 119.7(4) yes
C259 . C264 . H2641 . 120.1 no
C263 . C264 . H2641 . 120.2 no
N14 . C266 . C267 . 117.5(3) yes
N14 . C266 . C273 . 121.0(4) yes
C267 . C266 . C273 . 121.5(4) yes
C266 . C267 . N13 . 116.9(3) yes
C266 . C267 . C272 . 122.3(4) yes
N13 . C267 . C272 . 120.8(4) yes
N13 . C269 . C270 . 123.9(4) yes
N13 . C269 . H2691 . 118.0 no
C270 . C269 . H2691 . 118.1 no
C269 . C270 . C271 . 118.2(4) yes
C269 . C270 . H2701 . 120.9 no
C271 . C270 . H2701 . 120.9 no
C270 . C271 . C272 . 119.1(4) yes
C270 . C271 . H2711 . 120.5 no
C272 . C271 . H2711 . 120.5 no
C267 . C272 . C271 . 119.8(4) yes
C267 . C272 . H2721 . 120.1 no
C271 . C272 . H2721 . 120.1 no
C266 . C273 . C274 . 119.5(4) yes
C266 . C273 . H2731 . 120.3 no
C274 . C273 . H2731 . 120.3 no
C273 . C274 . C275 . 119.1(4) yes
C273 . C274 . H2741 . 120.4 no
C275 . C274 . H2741 . 120.4 no
C274 . C275 . C276 . 118.9(4) yes
C274 . C275 . H2751 . 120.5 no
C276 . C275 . H2751 . 120.5 no
C275 . C276 . N14 . 121.8(4) yes
C275 . C276 . C277 . 120.9(4) yes
N14 . C276 . C277 . 117.3(3) yes
C276 . C277 . N15 . 117.7(3) yes
C276 . C277 . C282 . 121.7(4) yes
N15 . C277 . C282 . 120.5(4) yes
N15 . C279 . C280 . 124.1(4) yes
N15 . C279 . H2791 . 117.9 no
C280 . C279 . H2791 . 118.0 no
C279 . C280 . C281 . 117.7(4) yes
C279 . C280 . H2801 . 121.1 no
C281 . C280 . H2801 . 121.1 no
C280 . C281 . C282 . 118.9(4) yes
C280 . C281 . H2811 . 120.5 no
C282 . C281 . H2811 . 120.5 no
C277 . C282 . C281 . 120.0(4) yes
C277 . C282 . H2821 . 120.0 no
C281 . C282 . H2821 . 120.0 no
P13 . C285 . C286 . 174.3(3) yes
P14 . C286 . C285 . 176.3(3) yes
P15 . C290 . C291 . 174.0(3) yes
P16 . C291 . C290 . 175.6(3) yes
P16 . C293 . C294 . 123.2(3) yes
P16 . C293 . C298 . 117.5(3) yes
C294 . C293 . C298 . 119.2(4) yes
C293 . C294 . C295 . 120.4(4) yes
C293 . C294 . H2941 . 119.8 no
C295 . C294 . H2941 . 119.8 no
C294 . C295 . C296 . 119.5(5) yes
C294 . C295 . H2951 . 120.3 no
C296 . C295 . H2951 . 120.2 no
C295 . C296 . C297 . 120.1(4) yes
C295 . C296 . H2961 . 120.0 no
C297 . C296 . H2961 . 119.9 no
C296 . C297 . C298 . 120.6(4) yes
C296 . C297 . H2971 . 119.7 no
C298 . C297 . H2971 . 119.7 no
C293 . C298 . C297 . 120.2(4) yes
C293 . C298 . H2981 . 119.9 no
C297 . C298 . H2981 . 119.9 no
P16 . C299 . C300 . 117.4(3) yes
P16 . C299 . C304 . 123.3(3) yes
C300 . C299 . C304 . 118.6(4) yes
C299 . C300 . C301 . 120.9(5) yes
C299 . C300 . H3001 . 119.6 no
C301 . C300 . H3001 . 119.5 no
C300 . C301 . C302 . 119.9(5) yes
C300 . C301 . H3011 . 120.1 no
C302 . C301 . H3011 . 120.1 no
C301 . C302 . C303 . 120.7(5) yes
C301 . C302 . H3021 . 119.6 no
C303 . C302 . H3021 . 119.7 no
C302 . C303 . C304 . 120.0(5) yes
C302 . C303 . H3031 . 120.0 no
C304 . C303 . H3031 . 120.0 no
C303 . C304 . C299 . 119.8(5) yes
C303 . C304 . H3041 . 120.1 no
C299 . C304 . H3041 . 120.1 no
P15 . C305 . C306 . 119.2(3) yes
P15 . C305 . C310 . 122.0(3) yes
C306 . C305 . C310 . 118.3(4) yes
C305 . C306 . C307 . 119.6(4) yes
C305 . C306 . H3061 . 120.2 no
C307 . C306 . H3061 . 120.2 no
C306 . C307 . C308 . 120.7(5) yes
C306 . C307 . H3071 . 119.6 no
C308 . C307 . H3071 . 119.6 no
C307 . C308 . C309 . 120.1(5) yes
C307 . C308 . H3081 . 120.0 no
C309 . C308 . H3081 . 120.0 no
C308 . C309 . C310 . 120.1(5) yes
C308 . C309 . H3091 . 120.0 no
C310 . C309 . H3091 . 120.0 no
C305 . C310 . C309 . 121.1(4) yes
C305 . C310 . H3101 . 119.4 no
C309 . C310 . H3101 . 119.4 no
P15 . C311 . C312 . 124.2(3) yes
P15 . C311 . C316 . 116.9(3) yes
C312 . C311 . C316 . 118.7(4) yes
C311 . C312 . C313 . 121.6(5) yes
C311 . C312 . H3121 . 119.2 no
C313 . C312 . H3121 . 119.2 no
C312 . C313 . C314 . 120.1(5) yes
C312 . C313 . H3131 . 119.9 no
C314 . C313 . H3131 . 120.0 no
C313 . C314 . C315 . 119.0(5) yes
C313 . C314 . H3141 . 120.5 no
C315 . C314 . H3141 . 120.5 no
C314 . C315 . C316 . 121.5(5) yes
C314 . C315 . H3151 . 119.3 no
C316 . C315 . H3151 . 119.2 no
C315 . C316 . C311 . 119.0(5) yes
C315 . C316 . H3161 . 120.5 no
C311 . C316 . H3161 . 120.5 no
N23 . C318 . C319 . 118.0(4) yes
N23 . C318 . C325 . 121.8(4) yes
C319 . C318 . C325 . 120.1(4) yes
C318 . C319 . N22 . 116.1(4) yes
C318 . C319 . C324 . 123.6(4) yes
N22 . C319 . C324 . 120.3(4) yes
N22 . C321 . C322 . 124.0(5) yes
N22 . C321 . H3211 . 118.0 no
C322 . C321 . H3211 . 118.0 no
C321 . C322 . C323 . 116.5(5) yes
C321 . C322 . H3221 . 121.8 no
C323 . C322 . H3221 . 121.7 no
C322 . C323 . C324 . 119.4(5) yes
C322 . C323 . H3231 . 120.3 no
C324 . C323 . H3231 . 120.3 no
C323 . C324 . C319 . 120.9(5) yes
C323 . C324 . H3241 . 119.6 no
C319 . C324 . H3241 . 119.6 no
C318 . C325 . C326 . 117.6(5) yes
C318 . C325 . H3251 . 121.2 no
C326 . C325 . H3251 . 121.2 no
C325 . C326 . C327 . 121.1(5) yes
C325 . C326 . H3261 . 119.4 no
C327 . C326 . H3261 . 119.4 no
C326 . C327 . C328 . 118.1(5) yes
C326 . C327 . H3271 . 120.9 no
C328 . C327 . H3271 . 120.9 no
C327 . C328 . N23 . 121.8(4) yes
C327 . C328 . C329 . 120.9(4) yes
N23 . C328 . C329 . 117.3(4) yes
C328 . C329 . N24 . 117.3(4) yes
C328 . C329 . C334 . 122.5(4) yes
N24 . C329 . C334 . 120.2(4) yes
N24 . C331 . C332 . 123.7(4) yes
N24 . C331 . H3311 . 118.1 no
C332 . C331 . H3311 . 118.1 no
C331 . C332 . C333 . 118.2(4) yes
C331 . C332 . H3321 . 120.9 no
C333 . C332 . H3321 . 120.9 no
C332 . C333 . C334 . 118.9(4) yes
C332 . C333 . H3331 . 120.6 no
C334 . C333 . H3331 . 120.6 no
C329 . C334 . C333 . 120.7(4) yes
C329 . C334 . H3341 . 119.7 no
C333 . C334 . H3341 . 119.7 no
P14 . C335 . C336 . 118.8(3) yes
P14 . C335 . C340 . 122.6(3) yes
C336 . C335 . C340 . 118.6(4) yes
C335 . C336 . C337 . 119.6(4) yes
C335 . C336 . H3361 . 120.2 no
C337 . C336 . H3361 . 120.2 no
C336 . C337 . C338 . 120.9(4) yes
C336 . C337 . H3371 . 119.5 no
C338 . C337 . H3371 . 119.6 no
C337 . C338 . C339 . 120.4(4) yes
C337 . C338 . H3381 . 119.7 no
C339 . C338 . H3381 . 119.8 no
C338 . C339 . C340 . 119.8(4) yes
C338 . C339 . H3391 . 120.1 no
C340 . C339 . H3391 . 120.1 no
C335 . C340 . C339 . 120.7(4) yes
C335 . C340 . H3401 . 119.7 no
C339 . C340 . H3401 . 119.7 no
P14 . C341 . C342 . 123.0(3) yes
P14 . C341 . C346 . 117.7(3) yes
C342 . C341 . C346 . 119.0(4) yes
C341 . C342 . C343 . 120.7(4) yes
C341 . C342 . H3421 . 119.7 no
C343 . C342 . H3421 . 119.7 no
C342 . C343 . C344 . 120.2(4) yes
C342 . C343 . H3431 . 119.9 no
C344 . C343 . H3431 . 119.9 no
C343 . C344 . C345 . 120.0(4) yes
C343 . C344 . H3441 . 120.0 no
C345 . C344 . H3441 . 120.0 no
C344 . C345 . C346 . 120.0(4) yes
C344 . C345 . H3451 . 120.0 no
C346 . C345 . H3451 . 120.0 no
C341 . C346 . C345 . 120.1(4) yes
C341 . C346 . H3461 . 119.9 no
C345 . C346 . H3461 . 119.9 no
P13 . C347 . C348 . 124.9(3) yes
P13 . C347 . C352 . 116.7(3) yes
C348 . C347 . C352 . 117.8(4) yes
C347 . C348 . C349 . 120.7(5) yes
C347 . C348 . H3481 . 119.7 no
C349 . C348 . H3481 . 119.6 no
C348 . C349 . C350 . 121.1(5) yes
C348 . C349 . H3491 . 119.5 no
C350 . C349 . H3491 . 119.5 no
C349 . C350 . C351 . 118.9(4) yes
C349 . C350 . H3501 . 120.6 no
C351 . C350 . H3501 . 120.6 no
C350 . C351 . C352 . 120.7(4) yes
C350 . C351 . H3511 . 119.6 no
C352 . C351 . H3511 . 119.6 no
C347 . C352 . C351 . 120.8(4) yes
C347 . C352 . H3521 . 119.6 no
C351 . C352 . H3521 . 119.6 no
P13 . C353 . C354 . 117.5(3) yes
P13 . C353 . C358 . 122.9(3) yes
C354 . C353 . C358 . 119.6(4) yes
C353 . C354 . C355 . 120.1(4) yes
C353 . C354 . H3541 . 119.9 no
C355 . C354 . H3541 . 119.9 no
C354 . C355 . C356 . 120.1(4) yes
C354 . C355 . H3551 . 119.9 no
C356 . C355 . H3551 . 119.9 no
C355 . C356 . C357 . 120.4(4) yes
C355 . C356 . H3561 . 119.8 no
C357 . C356 . H3561 . 119.8 no
C356 . C357 . C358 . 120.0(4) yes
C356 . C357 . H3571 . 120.0 no
C358 . C357 . H3571 . 120.0 no
C353 . C358 . C357 . 119.8(4) yes
C353 . C358 . H3581 . 120.1 no
C357 . C358 . H3581 . 120.1 no
N20 . C360 . C361 . 117.2(3) yes
N20 . C360 . C367 . 120.9(4) yes
C361 . C360 . C367 . 121.9(4) yes
C360 . C361 . N21 . 116.8(3) yes
C360 . C361 . C366 . 122.5(4) yes
N21 . C361 . C366 . 120.8(4) yes
N21 . C363 . C364 . 123.5(4) yes
N21 . C363 . H3631 . 118.3 no
C364 . C363 . H3631 . 118.3 no
C363 . C364 . C365 . 118.4(4) yes
C363 . C364 . H3641 . 120.8 no
C365 . C364 . H3641 . 120.8 no
C364 . C365 . C366 . 119.1(4) yes
C364 . C365 . H3651 . 120.5 no
C366 . C365 . H3651 . 120.5 no
C361 . C366 . C365 . 120.0(4) yes
C361 . C366 . H3661 . 120.0 no
C365 . C366 . H3661 . 120.0 no
C360 . C367 . C368 . 119.7(4) yes
C360 . C367 . H3671 . 120.1 no
C368 . C367 . H3671 . 120.2 no
C367 . C368 . C369 . 118.8(4) yes
C367 . C368 . H3681 . 120.6 no
C369 . C368 . H3681 . 120.6 no
C368 . C369 . C370 . 119.2(4) yes
C368 . C369 . H3691 . 120.4 no
C370 . C369 . H3691 . 120.4 no
C369 . C370 . N20 . 121.3(4) yes
C369 . C370 . C371 . 121.7(4) yes
N20 . C370 . C371 . 117.0(3) yes
C370 . C371 . N19 . 117.3(3) yes
C370 . C371 . C376 . 122.1(4) yes
N19 . C371 . C376 . 120.6(4) yes
N19 . C373 . C374 . 123.2(4) yes
N19 . C373 . H3731 . 118.4 no
C374 . C373 . H3731 . 118.4 no
C373 . C374 . C375 . 118.1(4) yes
C373 . C374 . H3741 . 121.0 no
C375 . C374 . H3741 . 120.9 no
C374 . C375 . C376 . 119.3(4) yes
C374 . C375 . H3751 . 120.3 no
C376 . C375 . H3751 . 120.3 no
C371 . C376 . C375 . 119.8(4) yes
C371 . C376 . H3761 . 120.1 no
C375 . C376 . H3761 . 120.1 no
Cl1 . C378 . Cl2 . 110.3(3) yes
Cl1 . C378 . H3781 . 109.3 no
Cl2 . C378 . H3781 . 109.3 no
Cl1 . C378 . H3782 . 109.3 no
Cl2 . C378 . H3782 . 109.3 no
H3781 . C378 . H3782 . 109.5 no
Cl3 . C381 . Cl4 . 108.4(4) yes
Cl3 . C381 . H3811 . 109.6 no
Cl4 . C381 . H3811 . 109.6 no
Cl3 . C381 . H3812 . 109.9 no
Cl4 . C381 . H3812 . 109.9 no
H3811 . C381 . H3812 . 109.5 no
Cl5 . C440 . Cl6 . 114.2(4) yes
Cl5 . C440 . H4401 . 109.0 no
Cl6 . C440 . H4401 . 108.9 no
Cl5 . C440 . H4402 . 107.6 no
Cl6 . C440 . H4402 . 107.5 no
H4401 . C440 . H4402 . 109.5 no
Cl7 . C1 . Cl8 . 93.6(5) yes
Cl7 . C1 . H10 . 112.3 no
Cl8 . C1 . H10 . 112.7 no
Cl7 . C1 . H11 . 114.0 no
Cl8 . C1 . H11 . 114.1 no
H10 . C1 . H11 . 109.5 no


