# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2016

####################################################################### 
# 
# 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_auto
_database_code_depnum_ccdc_archive 'CCDC 1472558'
_audit_update_record             
;
2016-04-06 deposited with the CCDC.
2016-08-26 downloaded from the CCDC.
;

_audit_creation_date             2014-03-15T14:27:59-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'

#==============================================================================

# CHEMICAL DATA

_chemical_name_systematic        
;
 ?
;
_chemical_formula_sum            'C83 H80 Ag B Cl4 F4 N2 P2'
_chemical_formula_analytical     ?
_chemical_formula_weight         1503.91

#==============================================================================

# CRYSTAL DATA

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

_cell_length_a                   13.9331(13)
_cell_length_b                   14.8995(13)
_cell_length_c                   19.1156(17)
_cell_angle_alpha                88.373(13)
_cell_angle_beta                 85.477(12)
_cell_angle_gamma                71.782(10)
_cell_volume                     3757.6(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7120
_cell_measurement_theta_min      3.0494
_cell_measurement_theta_max      27.4835
_cell_measurement_temperature    123(2)
_exptl_crystal_description       Prism
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.2
_exptl_crystal_density_diffrn    1.329
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1556
_exptl_absorpt_coefficient_mu    0.508
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.9307
_exptl_absorpt_correction_T_max  1

#==============================================================================

# EXPERIMENTAL DATA

_exptl_special_details           
;
 ?
;
_diffrn_ambient_temperature      123(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       
;
	Saturn70 CCD (4*4 bin mode)
;
_diffrn_measurement_method       dtprofit.ref
_diffrn_detector_area_resol_mean 28.5714
_diffrn_reflns_number            35148
_diffrn_reflns_av_R_equivalents  0.0527
_diffrn_reflns_av_unetI/netI     0.059
_diffrn_reflns_theta_min         3.05
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_full        25
_diffrn_measured_fraction_theta_max 0.928
_diffrn_measured_fraction_theta_full 0.971
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_reduction_process 'Lp corrections applied'

#==============================================================================

# STRUCTURE SOLUTION

_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom

#==============================================================================

# REFINEMENT DATA

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total             16005
_reflns_number_gt                13834
_reflns_threshold_expression     >2sigma(I)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.1055
_refine_ls_R_factor_gt           0.0935
_refine_ls_wR_factor_ref         0.2426
_refine_ls_goodness_of_fit_ref   1.105
_refine_ls_restrained_S_all      1.105
_refine_ls_number_reflns         16005
_refine_ls_number_parameters     874
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1020P)²+17.9485P] where P=(Fo²+2Fc²)/3'
_refine_ls_shift/su_max          0.029
_refine_ls_shift/su_mean         0.001
_refine_diff_density_max         1.492
_refine_diff_density_min         -1.867
_refine_diff_density_rms         0.13
_refine_ls_extinction_method     none
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2000)'
_computing_structure_solution    
;
        ????
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'

#==============================================================================

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Ag1 0.69276(3) 0.24754(3) 0.23297(2) 0.02807(13) Uani d . 1 . . Ag
P1 0.59029(10) 0.25842(9) 0.34742(6) 0.0240(3) Uani d . 1 . . P
P2 0.81978(10) 0.25610(10) 0.31661(7) 0.0291(3) Uani d . 1 . . P
Cl1 0.8072(3) 0.6675(2) 0.1685(2) 0.1184(11) Uani d . 1 . . Cl
F2 0.6473(3) -0.1173(2) 0.4787(2) 0.0527(10) Uani d . 1 . . F
F1 0.1558(3) 0.4742(3) 0.3818(2) 0.0513(10) Uani d . 1 . . F
Cl4 0.9564(4) 0.6855(5) 0.5104(3) 0.179(2) Uani d . 1 . . Cl
F4 1.1387(3) 0.4322(3) 0.2398(2) 0.0592(11) Uani d . 1 . . F
N1 0.6083(3) 0.2814(3) 0.0837(2) 0.0261(9) Uani d . 1 . . N
Cl2 0.8257(3) 0.7617(5) 0.2926(4) 0.214(3) Uani d . 1 . . Cl
N2 0.7522(4) 0.1756(3) 0.0769(2) 0.0321(10) Uani d . 1 . . N
C34 0.5223(4) 0.3595(3) 0.1086(2) 0.0251(10) Uani d . 1 . . C
C7 0.6072(4) 0.1443(4) 0.3905(3) 0.0268(10) Uani d . 1 . . C
C43 0.4146(4) 0.2487(4) 0.1180(3) 0.0342(12) Uani d . 1 . . C
H43 0.4694 0.2098 0.0844 0.041 Uiso calc R 1 . . H
C1 0.4559(4) 0.3200(4) 0.3586(2) 0.0242(10) Uani d . 1 . . C
C25 0.6453(4) 0.3205(3) 0.4064(3) 0.0244(10) Uani d . 1 . . C
C40 0.6403(5) 0.4619(4) 0.0959(3) 0.0345(12) Uani d . 1 . . C
H40 0.6865 0.4028 0.0732 0.041 Uiso calc R 1 . . H
C14 0.8947(5) 0.4033(4) 0.2828(3) 0.0399(13) Uani d . 1 . . C
H14 0.8251 0.4397 0.2842 0.048 Uiso calc R 1 . . H
C37 0.3618(5) 0.5122(4) 0.1518(3) 0.0391(13) Uani d . 1 . . C
H37 0.3059 0.5647 0.1673 0.047 Uiso calc R 1 . . H
C36 0.4550(5) 0.5236(4) 0.1361(3) 0.0341(12) Uani d . 1 . . C
H36 0.4629 0.5842 0.1405 0.041 Uiso calc R 1 . . H
C63 0.5067(5) 0.7879(4) 0.1602(3) 0.0346(12) Uani d . 1 . . C
H63 0.5431 0.732 0.1837 0.041 Uiso calc R 1 . . H
C35 0.5388(4) 0.4470(4) 0.1135(3) 0.0301(11) Uani d . 1 . . C
C26 0.7466(4) 0.3182(4) 0.3936(3) 0.0271(10) Uani d . 1 . . C
C58 0.4149(5) 0.8435(4) 0.1911(3) 0.0315(11) Uani d . 1 . . C
C29 0.6345(4) 0.4071(4) 0.5131(3) 0.0325(12) Uani d . 1 . . C
H29 0.5968 0.4368 0.5543 0.039 Uiso calc R 1 . . H
C32 0.6279(5) 0.2531(4) 0.0142(3) 0.0346(12) Uani d . 1 . . C
H32 0.5856 0.2764 -0.0232 0.042 Uiso calc R 1 . . H
C38 0.3487(4) 0.4245(4) 0.1453(3) 0.0364(13) Uani d . 1 . . C
H38 0.2835 0.4178 0.1559 0.044 Uiso calc R 1 . . H
C46 0.8493(4) 0.1110(4) 0.0938(3) 0.0384(13) Uani d . 1 . . C
C2 0.4190(4) 0.4024(4) 0.3201(3) 0.0312(11) Uani d . 1 . . C
H2 0.4637 0.4226 0.2879 0.037 Uiso calc R 1 . . H
C75 0.3747(5) 0.9875(4) 0.3081(3) 0.0348(12) Uani d . 1 . . C
H75 0.4404 0.9696 0.2845 0.042 Uiso calc R 1 . . H
C71 0.2230(5) 0.9541(4) 0.3446(3) 0.0353(12) Uani d . 1 . . C
H71 0.1824 0.9132 0.3476 0.042 Uiso calc R 1 . . H
C12 0.6148(5) 0.0675(4) 0.3491(3) 0.0383(13) Uani d . 1 . . C
H12 0.611 0.0755 0.2998 0.046 Uiso calc R 1 . . H
C19 0.8754(4) 0.1363(4) 0.3484(3) 0.0366(12) Uani d . 1 . . C
C3 0.3168(4) 0.4559(4) 0.3282(3) 0.0342(12) Uani d . 1 . . C
H3 0.2912 0.5132 0.303 0.041 Uiso calc R 1 . . H
C4 0.2546(4) 0.4228(4) 0.3738(3) 0.0373(13) Uani d . 1 . . C
C28 0.7337(5) 0.4045(5) 0.5003(3) 0.0394(13) Uani d . 1 . . C
H28 0.7641 0.4327 0.5325 0.047 Uiso calc R 1 . . H
F3 0.9797(6) -0.1402(4) 0.4101(4) 0.126(3) Uani d . 1 . . F
C67 0.6121(5) 0.6162(4) 0.3839(3) 0.0410(14) Uani d . 1 . . C
H67 0.665 0.5728 0.4074 0.049 Uiso calc R 1 . . H
C9 0.6275(5) 0.0432(4) 0.4925(3) 0.0377(13) Uani d . 1 . . C
H9 0.6328 0.0339 0.5416 0.045 Uiso calc R 1 . . H
C13 0.9213(4) 0.3078(4) 0.3004(3) 0.0325(12) Uani d . 1 . . C
C64 0.4543(4) 0.7472(4) 0.3124(3) 0.0300(11) Uani d . 1 . . C
C10 0.6340(5) -0.0301(4) 0.4496(3) 0.0371(13) Uani d . 1 . . C
C5 0.2879(5) 0.3404(5) 0.4117(3) 0.0404(14) Uani d . 1 . . C
H5 0.2421 0.3194 0.4423 0.049 Uiso calc R 1 . . H
C60 0.4041(6) 0.9463(4) 0.0879(3) 0.0440(15) Uani d . 1 . . C
H60 0.3676 1.0013 0.0634 0.053 Uiso calc R 1 . . H
C30 0.5888(4) 0.3666(4) 0.4664(3) 0.0285(11) Uani d . 1 . . C
H30 0.5197 0.3701 0.475 0.034 Uiso calc R 1 . . H
C8 0.6128(5) 0.1325(4) 0.4623(3) 0.0360(13) Uani d . 1 . . C
H8 0.6065 0.1853 0.4911 0.043 Uiso calc R 1 . . H
C24 0.8707(5) 0.1128(5) 0.4190(4) 0.0524(18) Uani d . 1 . . C
H24 0.8436 0.1609 0.4533 0.063 Uiso calc R 1 . . H
C66 0.5848(5) 0.7113(4) 0.3966(3) 0.0389(13) Uani d . 1 . . C
H66 0.6187 0.7339 0.43 0.047 Uiso calc R 1 . . H
C76 0.2757(4) 0.7741(4) 0.2596(3) 0.0333(12) Uani d . 1 . . C
C69 0.4825(4) 0.6495(4) 0.3014(3) 0.0333(12) Uani d . 1 . . C
H69 0.4473 0.6262 0.2693 0.04 Uiso calc R 1 . . H
C70 0.3191(5) 0.9234(4) 0.3088(3) 0.0326(12) Uani d . 1 . . C
C74 0.3389(5) 1.0758(4) 0.3401(3) 0.0399(14) Uani d . 1 . . C
H74 0.3794 1.1167 0.3382 0.048 Uiso calc R 1 . . H
C31 0.6844(4) 0.2337(4) 0.1230(3) 0.0296(11) Uani d . 1 . . C
C18 1.0227(4) 0.2560(5) 0.2996(3) 0.0400(14) Uani d . 1 . . C
H18 1.0418 0.1912 0.3128 0.048 Uiso calc R 1 . . H
C6 0.3896(4) 0.2887(4) 0.4043(3) 0.0329(12) Uani d . 1 . . C
H6 0.4143 0.2318 0.4302 0.039 Uiso calc R 1 . . H
C39 0.4292(4) 0.3461(4) 0.1236(3) 0.0283(11) Uani d . 1 . . C
Cl3 0.8777(7) 0.5823(6) 0.4241(4) 0.252(4) Uani d . 1 . . Cl
C72 0.1850(5) 1.0429(4) 0.3759(3) 0.0413(14) Uani d . 1 . . C
H72 0.1185 1.062 0.3982 0.05 Uiso calc R 1 . . H
C33 0.7186(5) 0.1864(4) 0.0105(3) 0.0373(13) Uani d . 1 . . C
H33 0.7531 0.1528 -0.0303 0.045 Uiso calc R 1 . . H
C59 0.3640(6) 0.9227(4) 0.1523(3) 0.0422(14) Uani d . 1 . . C
H59 0.2997 0.962 0.1706 0.051 Uiso calc R 1 . . H
C68 0.5598(5) 0.5853(4) 0.3356(3) 0.0379(13) Uani d . 1 . . C
H68 0.5771 0.5197 0.3259 0.045 Uiso calc R 1 . . H
C20 0.9172(5) 0.0641(5) 0.2997(4) 0.0466(15) Uani d . 1 . . C
H20 0.9202 0.0791 0.2511 0.056 Uiso calc R 1 . . H
C65 0.5093(5) 0.7747(4) 0.3618(3) 0.0358(12) Uani d . 1 . . C
H65 0.4935 0.8401 0.3716 0.043 Uiso calc R 1 . . H
C78 0.1519(6) 0.7345(5) 0.1924(5) 0.058(2) Uani d . 1 . . C
H78 0.1239 0.7345 0.1487 0.069 Uiso calc R 1 . . H
C16 1.0681(5) 0.3910(5) 0.2615(3) 0.0423(15) Uani d . 1 . . C
C81 0.2339(5) 0.7357(4) 0.3181(4) 0.0434(14) Uani d . 1 . . C
H81 0.2611 0.7345 0.3623 0.052 Uiso calc R 1 . . H
C41 0.6337(5) 0.5429(5) 0.0438(3) 0.0437(14) Uani d . 1 . . C
H41A 0.6036 0.5315 0.0016 0.065 Uiso calc R 1 . . H
H41B 0.7017 0.5468 0.031 0.065 Uiso calc R 1 . . H
H41C 0.5913 0.6024 0.0654 0.065 Uiso calc R 1 . . H
C62 0.5480(6) 0.8112(5) 0.0957(3) 0.0432(15) Uani d . 1 . . C
H62 0.612 0.7721 0.0767 0.052 Uiso calc R 1 . . H
C48 1.0225(5) 0.0811(6) 0.1097(4) 0.0533(18) Uani d . 1 . . C
H48 1.0804 0.1017 0.1106 0.064 Uiso calc R 1 . . H
C73 0.2422(5) 1.1031(4) 0.3748(3) 0.0415(14) Uani d . 1 . . C
H73 0.2164 1.1626 0.3975 0.05 Uiso calc R 1 . . H
C17 1.0963(5) 0.2974(5) 0.2798(3) 0.0458(16) Uani d . 1 . . C
H17 1.166 0.2614 0.2788 0.055 Uiso calc R 1 . . H
C42 0.6874(5) 0.4780(5) 0.1620(3) 0.0447(15) Uani d . 1 . . C
H42A 0.6921 0.4251 0.1946 0.067 Uiso calc R 1 . . H
H42B 0.645 0.5369 0.1845 0.067 Uiso calc R 1 . . H
H42C 0.7553 0.4825 0.1494 0.067 Uiso calc R 1 . . H
C15 0.9684(5) 0.4465(5) 0.2633(3) 0.0431(14) Uani d . 1 . . C
H15 0.9503 0.5118 0.2516 0.052 Uiso calc R 1 . . H
C44 0.3132(5) 0.2537(5) 0.0911(4) 0.0467(15) Uani d . 1 . . C
H44A 0.3076 0.1899 0.0893 0.07 Uiso calc R 1 . . H
H44B 0.3086 0.2815 0.0439 0.07 Uiso calc R 1 . . H
H44C 0.2582 0.2929 0.1226 0.07 Uiso calc R 1 . . H
C27 0.7894(5) 0.3611(5) 0.4406(3) 0.0397(13) Uani d . 1 . . C
H27 0.8576 0.3605 0.4317 0.048 Uiso calc R 1 . . H
C77 0.2320(5) 0.7714(4) 0.1964(4) 0.0421(14) Uani d . 1 . . C
H77 0.2576 0.7954 0.155 0.051 Uiso calc R 1 . . H
C11 0.6280(6) -0.0213(4) 0.3788(3) 0.0450(16) Uani d . 1 . . C
H11 0.6327 -0.0743 0.3507 0.054 Uiso calc R 1 . . H
B1 0.3655(5) 0.8206(4) 0.2691(3) 0.0309(13) Uani d . 1 . . B
C80 0.1548(5) 0.6999(5) 0.3133(5) 0.057(2) Uani d . 1 . . C
H80 0.1282 0.6757 0.3543 0.069 Uiso calc R 1 . . H
C61 0.4959(6) 0.8904(5) 0.0597(3) 0.0469(16) Uani d . 1 . . C
H61 0.5234 0.9062 0.0158 0.056 Uiso calc R 1 . . H
C53 0.7269(14) -0.0333(16) 0.1740(8) 0.208(12) Uani d . 1 . . C
H53A 0.7107 0.0254 0.2007 0.312 Uiso calc R 1 . . H
H53B 0.7792 -0.0831 0.1965 0.312 Uiso calc R 1 . . H
H53C 0.6659 -0.0524 0.1727 0.312 Uiso calc R 1 . . H
C79 0.1134(5) 0.6983(5) 0.2510(5) 0.061(2) Uani d . 1 . . C
H79 0.0593 0.6727 0.2483 0.074 Uiso calc R 1 . . H
C55 0.9207(5) 0.2482(6) 0.0767(4) 0.0555(18) Uani d . 1 . . C
H55 0.8524 0.2856 0.0979 0.067 Uiso calc R 1 . . H
C47 0.9314(5) 0.1456(5) 0.0933(3) 0.0416(14) Uani d . 1 . . C
C49 1.0317(6) -0.0105(6) 0.1247(4) 0.062(2) Uani d . 1 . . C
H49 1.0951 -0.0527 0.1366 0.074 Uiso calc R 1 . . H
C45 0.4263(6) 0.1994(5) 0.1900(4) 0.0552(19) Uani d . 1 . . C
H45A 0.4923 0.1957 0.2064 0.083 Uiso calc R 1 . . H
H45B 0.4217 0.1354 0.1858 0.083 Uiso calc R 1 . . H
H45C 0.3722 0.2355 0.2237 0.083 Uiso calc R 1 . . H
C51 0.8564(6) 0.0181(5) 0.1064(4) 0.0557(18) Uani d . 1 . . C
C22 0.9443(7) -0.0487(6) 0.3897(5) 0.073(3) Uani d . 1 . . C
C21 0.9536(7) -0.0275(5) 0.3207(5) 0.064(2) Uani d . 1 . . C
H21 0.9852 -0.0759 0.2874 0.076 Uiso calc R 1 . . H
C50 0.9497(6) -0.0424(5) 0.1226(5) 0.067(2) Uani d . 1 . . C
H50 0.9571 -0.107 0.1325 0.081 Uiso calc R 1 . . H
C23 0.9055(7) 0.0193(7) 0.4394(5) 0.082(3) Uani d . 1 . . C
H23 0.9023 0.0025 0.4876 0.099 Uiso calc R 1 . . H
C57 0.9963(9) 0.2861(8) 0.1093(5) 0.086(3) Uani d . 1 . . C
H57A 0.9979 0.2698 0.1593 0.128 Uiso calc R 1 . . H
H57B 0.9759 0.3549 0.1038 0.128 Uiso calc R 1 . . H
H57C 1.0638 0.258 0.0857 0.128 Uiso calc R 1 . . H
C52 0.7646(7) -0.0179(6) 0.1017(6) 0.078(3) Uani d . 1 . . C
H52 0.71 0.0331 0.0799 0.094 Uiso calc R 1 . . H
C54 0.7870(9) -0.1039(8) 0.0590(5) 0.086(3) Uani d . 1 . . C
H54A 0.8103 -0.0912 0.0111 0.129 Uiso calc R 1 . . H
H54B 0.7257 -0.1225 0.0579 0.129 Uiso calc R 1 . . H
H54C 0.8401 -0.1551 0.0796 0.129 Uiso calc R 1 . . H
C56 0.9205(9) 0.2708(8) 0.0006(5) 0.084(3) Uani d . 1 . . C
H56A 0.9128 0.338 -0.0062 0.127 Uiso calc R 1 . . H
H56B 0.864 0.2564 -0.0188 0.127 Uiso calc R 1 . . H
H56C 0.9845 0.2328 -0.0233 0.127 Uiso calc R 1 . . H
C82 0.7433(10) 0.7224(12) 0.2456(8) 0.132(5) Uani d . 1 . . C
H82A 0.7181 0.6772 0.2747 0.159 Uiso calc R 1 . . H
H82B 0.6844 0.7767 0.2341 0.159 Uiso calc R 1 . . H
C83 0.950(2) 0.623(4) 0.4592(19) 0.62(6) Uani d . 1 . . C
H83A 1.0019 0.5648 0.4731 0.745 Uiso calc R 1 . . H
H83B 0.9825 0.6465 0.4177 0.745 Uiso calc R 1 . . H



#==============================================================================

# MOLECULAR GEOMETRY

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ag1 C31 . 2.134(5) ?
Ag1 P1 . 2.4969(13) ?
Ag1 P2 . 2.5108(14) ?
P1 C1 . 1.808(5) ?
P1 C7 . 1.824(5) ?
P1 C25 . 1.831(5) ?
P2 C13 . 1.813(6) ?
P2 C19 . 1.818(6) ?
P2 C26 . 1.820(5) ?
Cl1 C82 . 1.744(14) ?
F2 C10 . 1.363(6) ?
F1 C4 . 1.348(6) ?
Cl4 C83 . 1.392(17) ?
F4 C16 . 1.348(7) ?
N1 C31 . 1.348(7) ?
N1 C32 . 1.385(7) ?
N1 C34 . 1.444(6) ?
Cl2 C82 . 1.754(15) ?
N2 C31 . 1.349(7) ?
N2 C33 . 1.377(7) ?
N2 C46 . 1.448(7) ?
C34 C39 . 1.380(7) ?
C34 C35 . 1.400(7) ?
C7 C12 . 1.381(8) ?
C7 C8 . 1.384(7) ?
C43 C44 . 1.520(8) ?
C43 C39 . 1.535(8) ?
C43 C45 . 1.536(8) ?
C43 H43 . 1 ?
C1 C2 . 1.389(7) ?
C1 C6 . 1.397(7) ?
C25 C26 . 1.403(7) ?
C25 C30 . 1.404(7) ?
C40 C35 . 1.511(8) ?
C40 C41 . 1.527(8) ?
C40 C42 . 1.528(8) ?
C40 H40 . 1 ?
C14 C13 . 1.392(9) ?
C14 C15 . 1.396(9) ?
C14 H14 . 0.95 ?
C37 C36 . 1.370(9) ?
C37 C38 . 1.385(9) ?
C37 H37 . 0.95 ?
C36 C35 . 1.402(8) ?
C36 H36 . 0.95 ?
C63 C58 . 1.385(8) ?
C63 C62 . 1.400(8) ?
C63 H63 . 0.95 ?
C26 C27 . 1.388(8) ?
C58 C59 . 1.399(8) ?
C58 B1 . 1.664(8) ?
C29 C28 . 1.374(8) ?
C29 C30 . 1.388(8) ?
C29 H29 . 0.95 ?
C32 C33 . 1.340(8) ?
C32 H32 . 0.95 ?
C38 C39 . 1.389(8) ?
C38 H38 . 0.95 ?
C46 C51 . 1.371(10) ?
C46 C47 . 1.394(9) ?
C2 C3 . 1.396(8) ?
C2 H2 . 0.95 ?
C75 C74 . 1.392(8) ?
C75 C70 . 1.404(8) ?
C75 H75 . 0.95 ?
C71 C72 . 1.395(8) ?
C71 C70 . 1.400(8) ?
C71 H71 . 0.95 ?
C12 C11 . 1.389(8) ?
C12 H12 . 0.95 ?
C19 C24 . 1.387(9) ?
C19 C20 . 1.394(9) ?
C3 C4 . 1.371(9) ?
C3 H3 . 0.95 ?
C4 C5 . 1.376(9) ?
C28 C27 . 1.382(8) ?
C28 H28 . 0.95 ?
F3 C22 . 1.353(9) ?
C67 C66 . 1.371(9) ?
C67 C68 . 1.391(9) ?
C67 H67 . 0.95 ?
C9 C10 . 1.360(8) ?
C9 C8 . 1.397(8) ?
C9 H9 . 0.95 ?
C13 C18 . 1.381(8) ?
C64 C69 . 1.401(8) ?
C64 C65 . 1.407(8) ?
C64 B1 . 1.635(8) ?
C10 C11 . 1.362(8) ?
C5 C6 . 1.383(8) ?
C5 H5 . 0.95 ?
C60 C61 . 1.367(10) ?
C60 C59 . 1.394(9) ?
C60 H60 . 0.95 ?
C30 H30 . 0.95 ?
C8 H8 . 0.95 ?
C24 C23 . 1.380(11) ?
C24 H24 . 0.95 ?
C66 C65 . 1.377(8) ?
C66 H66 . 0.95 ?
C76 C77 . 1.402(9) ?
C76 C81 . 1.411(9) ?
C76 B1 . 1.633(9) ?
C69 C68 . 1.391(8) ?
C69 H69 . 0.95 ?
C70 B1 . 1.647(8) ?
C74 C73 . 1.397(9) ?
C74 H74 . 0.95 ?
C18 C17 . 1.379(9) ?
C18 H18 . 0.95 ?
C6 H6 . 0.95 ?
Cl3 C83 . 1.534(19) ?
C72 C73 . 1.373(10) ?
C72 H72 . 0.95 ?
C33 H33 . 0.95 ?
C59 H59 . 0.95 ?
C68 H68 . 0.95 ?
C20 C21 . 1.360(10) ?
C20 H20 . 0.95 ?
C65 H65 . 0.95 ?
C78 C79 . 1.374(12) ?
C78 C77 . 1.397(10) ?
C78 H78 . 0.95 ?
C16 C17 . 1.367(10) ?
C16 C15 . 1.375(9) ?
C81 C80 . 1.376(10) ?
C81 H81 . 0.95 ?
C41 H41A . 0.98 ?
C41 H41B . 0.98 ?
C41 H41C . 0.98 ?
C62 C61 . 1.375(10) ?
C62 H62 . 0.95 ?
C48 C49 . 1.354(12) ?
C48 C47 . 1.385(9) ?
C48 H48 . 0.95 ?
C73 H73 . 0.95 ?
C17 H17 . 0.95 ?
C42 H42A . 0.98 ?
C42 H42B . 0.98 ?
C42 H42C . 0.98 ?
C15 H15 . 0.95 ?
C44 H44A . 0.98 ?
C44 H44B . 0.98 ?
C44 H44C . 0.98 ?
C27 H27 . 0.95 ?
C77 H77 . 0.95 ?
C11 H11 . 0.95 ?
C80 C79 . 1.367(12) ?
C80 H80 . 0.95 ?
C61 H61 . 0.95 ?
C53 C52 . 1.476(18) ?
C53 H53A . 0.98 ?
C53 H53B . 0.98 ?
C53 H53C . 0.98 ?
C79 H79 . 0.95 ?
C55 C56 . 1.484(12) ?
C55 C47 . 1.515(10) ?
C55 C57 . 1.519(12) ?
C55 H55 . 1 ?
C49 C50 . 1.371(12) ?
C49 H49 . 0.95 ?
C45 H45A . 0.98 ?
C45 H45B . 0.98 ?
C45 H45C . 0.98 ?
C51 C50 . 1.384(11) ?
C51 C52 . 1.544(12) ?
C22 C21 . 1.354(12) ?
C22 C23 . 1.361(13) ?
C21 H21 . 0.95 ?
C50 H50 . 0.95 ?
C23 H23 . 0.95 ?
C57 H57A . 0.98 ?
C57 H57B . 0.98 ?
C57 H57C . 0.98 ?
C52 C54 . 1.474(13) ?
C52 H52 . 1 ?
C54 H54A . 0.98 ?
C54 H54B . 0.98 ?
C54 H54C . 0.98 ?
C56 H56A . 0.98 ?
C56 H56B . 0.98 ?
C56 H56C . 0.98 ?
C82 H82A . 0.99 ?
C82 H82B . 0.99 ?
C83 H83A . 0.99 ?
C83 H83B . 0.99 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C31 Ag1 P1 141.77(15) . . ?
C31 Ag1 P2 138.91(15) . . ?
P1 Ag1 P2 79.29(5) . . ?
C1 P1 C7 105.3(2) . . ?
C1 P1 C25 103.7(2) . . ?
C7 P1 C25 103.2(2) . . ?
C1 P1 Ag1 123.59(16) . . ?
C7 P1 Ag1 113.35(17) . . ?
C25 P1 Ag1 105.43(17) . . ?
C13 P2 C19 107.5(3) . . ?
C13 P2 C26 104.2(3) . . ?
C19 P2 C26 103.5(3) . . ?
C13 P2 Ag1 127.30(18) . . ?
C19 P2 Ag1 106.1(2) . . ?
C26 P2 Ag1 106.03(18) . . ?
C31 N1 C32 111.6(4) . . ?
C31 N1 C34 124.5(4) . . ?
C32 N1 C34 123.5(4) . . ?
C31 N2 C33 111.3(5) . . ?
C31 N2 C46 125.2(5) . . ?
C33 N2 C46 123.5(5) . . ?
C39 C34 C35 123.6(5) . . ?
C39 C34 N1 119.8(5) . . ?
C35 C34 N1 116.6(5) . . ?
C12 C7 C8 119.6(5) . . ?
C12 C7 P1 118.0(4) . . ?
C8 C7 P1 122.4(4) . . ?
C44 C43 C39 113.0(5) . . ?
C44 C43 C45 110.3(5) . . ?
C39 C43 C45 109.4(5) . . ?
C44 C43 H43 108 . . ?
C39 C43 H43 108 . . ?
C45 C43 H43 108 . . ?
C2 C1 C6 119.7(5) . . ?
C2 C1 P1 117.3(4) . . ?
C6 C1 P1 122.9(4) . . ?
C26 C25 C30 119.4(5) . . ?
C26 C25 P1 119.8(4) . . ?
C30 C25 P1 120.7(4) . . ?
C35 C40 C41 112.2(5) . . ?
C35 C40 C42 111.2(5) . . ?
C41 C40 C42 110.4(5) . . ?
C35 C40 H40 107.6 . . ?
C41 C40 H40 107.6 . . ?
C42 C40 H40 107.6 . . ?
C13 C14 C15 121.2(6) . . ?
C13 C14 H14 119.4 . . ?
C15 C14 H14 119.4 . . ?
C36 C37 C38 120.4(6) . . ?
C36 C37 H37 119.8 . . ?
C38 C37 H37 119.8 . . ?
C37 C36 C35 120.9(6) . . ?
C37 C36 H36 119.6 . . ?
C35 C36 H36 119.6 . . ?
C58 C63 C62 122.4(6) . . ?
C58 C63 H63 118.8 . . ?
C62 C63 H63 118.8 . . ?
C34 C35 C36 116.8(5) . . ?
C34 C35 C40 123.5(5) . . ?
C36 C35 C40 119.7(5) . . ?
C27 C26 C25 119.5(5) . . ?
C27 C26 P2 121.6(4) . . ?
C25 C26 P2 119.0(4) . . ?
C63 C58 C59 115.5(5) . . ?
C63 C58 B1 123.9(5) . . ?
C59 C58 B1 120.6(5) . . ?
C28 C29 C30 120.6(5) . . ?
C28 C29 H29 119.7 . . ?
C30 C29 H29 119.7 . . ?
C33 C32 N1 106.0(5) . . ?
C33 C32 H32 127 . . ?
N1 C32 H32 127 . . ?
C37 C38 C39 121.2(6) . . ?
C37 C38 H38 119.4 . . ?
C39 C38 H38 119.4 . . ?
C51 C46 C47 123.5(6) . . ?
C51 C46 N2 118.2(6) . . ?
C47 C46 N2 118.2(6) . . ?
C1 C2 C3 120.6(5) . . ?
C1 C2 H2 119.7 . . ?
C3 C2 H2 119.7 . . ?
C74 C75 C70 123.7(6) . . ?
C74 C75 H75 118.2 . . ?
C70 C75 H75 118.2 . . ?
C72 C71 C70 122.0(6) . . ?
C72 C71 H71 119 . . ?
C70 C71 H71 119 . . ?
C7 C12 C11 120.7(5) . . ?
C7 C12 H12 119.7 . . ?
C11 C12 H12 119.7 . . ?
C24 C19 C20 118.6(6) . . ?
C24 C19 P2 122.4(5) . . ?
C20 C19 P2 118.8(5) . . ?
C4 C3 C2 117.7(5) . . ?
C4 C3 H3 121.2 . . ?
C2 C3 H3 121.2 . . ?
F1 C4 C3 117.8(6) . . ?
F1 C4 C5 118.8(6) . . ?
C3 C4 C5 123.4(5) . . ?
C29 C28 C27 120.2(5) . . ?
C29 C28 H28 119.9 . . ?
C27 C28 H28 119.9 . . ?
C66 C67 C68 118.0(6) . . ?
C66 C67 H67 121 . . ?
C68 C67 H67 121 . . ?
C10 C9 C8 118.1(5) . . ?
C10 C9 H9 121 . . ?
C8 C9 H9 121 . . ?
C18 C13 C14 118.9(5) . . ?
C18 C13 P2 123.4(5) . . ?
C14 C13 P2 117.6(4) . . ?
C69 C64 C65 114.4(5) . . ?
C69 C64 B1 121.1(5) . . ?
C65 C64 B1 124.4(5) . . ?
C9 C10 C11 123.6(5) . . ?
C9 C10 F2 118.5(5) . . ?
C11 C10 F2 117.9(5) . . ?
C4 C5 C6 118.6(6) . . ?
C4 C5 H5 120.7 . . ?
C6 C5 H5 120.7 . . ?
C61 C60 C59 120.0(6) . . ?
C61 C60 H60 120 . . ?
C59 C60 H60 120 . . ?
C29 C30 C25 119.7(5) . . ?
C29 C30 H30 120.1 . . ?
C25 C30 H30 120.1 . . ?
C7 C8 C9 120.0(5) . . ?
C7 C8 H8 120 . . ?
C9 C8 H8 120 . . ?
C23 C24 C19 119.7(7) . . ?
C23 C24 H24 120.1 . . ?
C19 C24 H24 120.1 . . ?
C67 C66 C65 121.2(6) . . ?
C67 C66 H66 119.4 . . ?
C65 C66 H66 119.4 . . ?
C77 C76 C81 115.1(6) . . ?
C77 C76 B1 124.9(5) . . ?
C81 C76 B1 119.9(5) . . ?
C68 C69 C64 122.7(5) . . ?
C68 C69 H69 118.7 . . ?
C64 C69 H69 118.7 . . ?
C71 C70 C75 115.2(5) . . ?
C71 C70 B1 123.6(5) . . ?
C75 C70 B1 121.2(5) . . ?
C75 C74 C73 118.8(6) . . ?
C75 C74 H74 120.6 . . ?
C73 C74 H74 120.6 . . ?
N1 C31 N2 104.0(4) . . ?
N1 C31 Ag1 127.3(4) . . ?
N2 C31 Ag1 128.6(4) . . ?
C17 C18 C13 120.6(6) . . ?
C17 C18 H18 119.7 . . ?
C13 C18 H18 119.7 . . ?
C5 C6 C1 120.0(5) . . ?
C5 C6 H6 120 . . ?
C1 C6 H6 120 . . ?
C34 C39 C38 117.2(5) . . ?
C34 C39 C43 122.0(5) . . ?
C38 C39 C43 120.9(5) . . ?
C73 C72 C71 121.0(6) . . ?
C73 C72 H72 119.5 . . ?
C71 C72 H72 119.5 . . ?
C32 C33 N2 107.0(5) . . ?
C32 C33 H33 126.5 . . ?
N2 C33 H33 126.5 . . ?
C60 C59 C58 122.5(6) . . ?
C60 C59 H59 118.7 . . ?
C58 C59 H59 118.7 . . ?
C69 C68 C67 120.6(5) . . ?
C69 C68 H68 119.7 . . ?
C67 C68 H68 119.7 . . ?
C21 C20 C19 121.0(7) . . ?
C21 C20 H20 119.5 . . ?
C19 C20 H20 119.5 . . ?
C66 C65 C64 123.1(5) . . ?
C66 C65 H65 118.4 . . ?
C64 C65 H65 118.4 . . ?
C79 C78 C77 120.7(7) . . ?
C79 C78 H78 119.7 . . ?
C77 C78 H78 119.7 . . ?
F4 C16 C17 120.3(6) . . ?
F4 C16 C15 117.2(6) . . ?
C17 C16 C15 122.5(6) . . ?
C80 C81 C76 122.0(7) . . ?
C80 C81 H81 119 . . ?
C76 C81 H81 119 . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C61 C62 C63 120.1(6) . . ?
C61 C62 H62 120 . . ?
C63 C62 H62 120 . . ?
C49 C48 C47 122.1(7) . . ?
C49 C48 H48 118.9 . . ?
C47 C48 H48 118.9 . . ?
C72 C73 C74 119.2(6) . . ?
C72 C73 H73 120.4 . . ?
C74 C73 H73 120.4 . . ?
C16 C17 C18 119.3(6) . . ?
C16 C17 H17 120.3 . . ?
C18 C17 H17 120.3 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C16 C15 C14 117.5(6) . . ?
C16 C15 H15 121.3 . . ?
C14 C15 H15 121.3 . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C28 C27 C26 120.7(6) . . ?
C28 C27 H27 119.7 . . ?
C26 C27 H27 119.7 . . ?
C78 C77 C76 122.1(7) . . ?
C78 C77 H77 118.9 . . ?
C76 C77 H77 118.9 . . ?
C10 C11 C12 117.9(5) . . ?
C10 C11 H11 121 . . ?
C12 C11 H11 121 . . ?
C76 B1 C64 109.5(4) . . ?
C76 B1 C70 110.5(5) . . ?
C64 B1 C70 111.6(4) . . ?
C76 B1 C58 110.3(4) . . ?
C64 B1 C58 109.4(5) . . ?
C70 B1 C58 105.5(4) . . ?
C79 C80 C81 121.7(7) . . ?
C79 C80 H80 119.1 . . ?
C81 C80 H80 119.1 . . ?
C60 C61 C62 119.4(6) . . ?
C60 C61 H61 120.3 . . ?
C62 C61 H61 120.3 . . ?
C52 C53 H53A 109.5 . . ?
C52 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C52 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C80 C79 C78 118.4(7) . . ?
C80 C79 H79 120.8 . . ?
C78 C79 H79 120.8 . . ?
C56 C55 C47 113.8(7) . . ?
C56 C55 C57 109.3(7) . . ?
C47 C55 C57 115.1(7) . . ?
C56 C55 H55 106 . . ?
C47 C55 H55 106 . . ?
C57 C55 H55 106 . . ?
C48 C47 C46 116.0(7) . . ?
C48 C47 C55 122.3(6) . . ?
C46 C47 C55 121.7(6) . . ?
C48 C49 C50 120.1(7) . . ?
C48 C49 H49 120 . . ?
C50 C49 H49 120 . . ?
C43 C45 H45A 109.5 . . ?
C43 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C43 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C46 C51 C50 117.3(7) . . ?
C46 C51 C52 121.5(7) . . ?
C50 C51 C52 121.2(7) . . ?
F3 C22 C21 118.8(8) . . ?
F3 C22 C23 119.1(8) . . ?
C21 C22 C23 122.1(7) . . ?
C22 C21 C20 119.1(8) . . ?
C22 C21 H21 120.5 . . ?
C20 C21 H21 120.5 . . ?
C49 C50 C51 120.9(8) . . ?
C49 C50 H50 119.5 . . ?
C51 C50 H50 119.5 . . ?
C22 C23 C24 119.4(8) . . ?
C22 C23 H23 120.3 . . ?
C24 C23 H23 120.3 . . ?
C55 C57 H57A 109.5 . . ?
C55 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C55 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C54 C52 C53 111.3(10) . . ?
C54 C52 C51 113.7(8) . . ?
C53 C52 C51 107.7(10) . . ?
C54 C52 H52 108 . . ?
C53 C52 H52 108 . . ?
C51 C52 H52 108 . . ?
C52 C54 H54A 109.5 . . ?
C52 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C52 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
Cl1 C82 Cl2 109.6(7) . . ?
Cl1 C82 H82A 109.8 . . ?
Cl2 C82 H82A 109.8 . . ?
Cl1 C82 H82B 109.8 . . ?
Cl2 C82 H82B 109.8 . . ?
H82A C82 H82B 108.2 . . ?
Cl4 C83 Cl3 144.5(19) . . ?
Cl4 C83 H83A 100.8 . . ?
Cl3 C83 H83A 100.8 . . ?
Cl4 C83 H83B 100.8 . . ?
Cl3 C83 H83B 100.8 . . ?
H83A C83 H83B 104.4 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C31 Ag1 P1 C1 -36.6(3) . . . . ?
P2 Ag1 P1 C1 145.3(2) . . . . ?
C31 Ag1 P1 C7 92.6(3) . . . . ?
P2 Ag1 P1 C7 -85.58(19) . . . . ?
C31 Ag1 P1 C25 -155.2(3) . . . . ?
P2 Ag1 P1 C25 26.64(16) . . . . ?
C31 Ag1 P2 C13 32.9(3) . . . . ?
P1 Ag1 P2 C13 -148.8(3) . . . . ?
C31 Ag1 P2 C19 -94.9(3) . . . . ?
P1 Ag1 P2 C19 83.4(2) . . . . ?
C31 Ag1 P2 C26 155.6(3) . . . . ?
P1 Ag1 P2 C26 -26.19(18) . . . . ?
C31 N1 C34 C39 -104.6(6) . . . . ?
C32 N1 C34 C39 82.8(6) . . . . ?
C31 N1 C34 C35 77.7(6) . . . . ?
C32 N1 C34 C35 -94.9(6) . . . . ?
C1 P1 C7 C12 98.6(5) . . . . ?
C25 P1 C7 C12 -152.9(5) . . . . ?
Ag1 P1 C7 C12 -39.4(5) . . . . ?
C1 P1 C7 C8 -81.5(5) . . . . ?
C25 P1 C7 C8 27.0(5) . . . . ?
Ag1 P1 C7 C8 140.5(4) . . . . ?
C7 P1 C1 C2 -168.8(4) . . . . ?
C25 P1 C1 C2 83.1(4) . . . . ?
Ag1 P1 C1 C2 -36.3(5) . . . . ?
C7 P1 C1 C6 11.9(5) . . . . ?
C25 P1 C1 C6 -96.2(5) . . . . ?
Ag1 P1 C1 C6 144.4(4) . . . . ?
C1 P1 C25 C26 -155.8(4) . . . . ?
C7 P1 C25 C26 94.6(4) . . . . ?
Ag1 P1 C25 C26 -24.6(4) . . . . ?
C1 P1 C25 C30 27.4(5) . . . . ?
C7 P1 C25 C30 -82.2(4) . . . . ?
Ag1 P1 C25 C30 158.6(4) . . . . ?
C38 C37 C36 C35 -0.4(8) . . . . ?
C39 C34 C35 C36 1.0(7) . . . . ?
N1 C34 C35 C36 178.6(4) . . . . ?
C39 C34 C35 C40 -178.9(5) . . . . ?
N1 C34 C35 C40 -1.3(7) . . . . ?
C37 C36 C35 C34 -0.5(8) . . . . ?
C37 C36 C35 C40 179.4(5) . . . . ?
C41 C40 C35 C34 127.7(6) . . . . ?
C42 C40 C35 C34 -108.1(6) . . . . ?
C41 C40 C35 C36 -52.2(7) . . . . ?
C42 C40 C35 C36 72.0(6) . . . . ?
C30 C25 C26 C27 0.3(8) . . . . ?
P1 C25 C26 C27 -176.5(4) . . . . ?
C30 C25 C26 P2 178.8(4) . . . . ?
P1 C25 C26 P2 1.9(6) . . . . ?
C13 P2 C26 C27 -23.6(5) . . . . ?
C19 P2 C26 C27 88.7(5) . . . . ?
Ag1 P2 C26 C27 -159.9(4) . . . . ?
C13 P2 C26 C25 158.0(4) . . . . ?
C19 P2 C26 C25 -89.7(4) . . . . ?
Ag1 P2 C26 C25 21.7(4) . . . . ?
C62 C63 C58 C59 2.3(8) . . . . ?
C62 C63 C58 B1 -177.5(5) . . . . ?
C31 N1 C32 C33 -0.1(7) . . . . ?
C34 N1 C32 C33 173.4(5) . . . . ?
C36 C37 C38 C39 0.7(9) . . . . ?
C31 N2 C46 C51 97.8(7) . . . . ?
C33 N2 C46 C51 -83.5(8) . . . . ?
C31 N2 C46 C47 -84.9(8) . . . . ?
C33 N2 C46 C47 93.8(7) . . . . ?
C6 C1 C2 C3 2.0(8) . . . . ?
P1 C1 C2 C3 -177.3(4) . . . . ?
C8 C7 C12 C11 -0.1(10) . . . . ?
P1 C7 C12 C11 179.9(5) . . . . ?
C13 P2 C19 C24 100.3(6) . . . . ?
C26 P2 C19 C24 -9.6(6) . . . . ?
Ag1 P2 C19 C24 -121.0(6) . . . . ?
C13 P2 C19 C20 -85.0(5) . . . . ?
C26 P2 C19 C20 165.1(5) . . . . ?
Ag1 P2 C19 C20 53.7(5) . . . . ?
C1 C2 C3 C4 -1.7(8) . . . . ?
C2 C3 C4 F1 -180.0(5) . . . . ?
C2 C3 C4 C5 0.2(9) . . . . ?
C30 C29 C28 C27 -0.3(9) . . . . ?
C15 C14 C13 C18 1.2(9) . . . . ?
C15 C14 C13 P2 -174.0(5) . . . . ?
C19 P2 C13 C18 11.8(6) . . . . ?
C26 P2 C13 C18 121.1(5) . . . . ?
Ag1 P2 C13 C18 -115.5(5) . . . . ?
C19 P2 C13 C14 -173.3(5) . . . . ?
C26 P2 C13 C14 -63.9(5) . . . . ?
Ag1 P2 C13 C14 59.5(5) . . . . ?
C8 C9 C10 C11 0.7(10) . . . . ?
C8 C9 C10 F2 -179.4(6) . . . . ?
F1 C4 C5 C6 -178.9(5) . . . . ?
C3 C4 C5 C6 0.9(9) . . . . ?
C28 C29 C30 C25 1.7(8) . . . . ?
C26 C25 C30 C29 -1.7(7) . . . . ?
P1 C25 C30 C29 175.2(4) . . . . ?
C12 C7 C8 C9 1.0(9) . . . . ?
P1 C7 C8 C9 -179.0(5) . . . . ?
C10 C9 C8 C7 -1.3(10) . . . . ?
C20 C19 C24 C23 -1.1(11) . . . . ?
P2 C19 C24 C23 173.7(7) . . . . ?
C68 C67 C66 C65 -1.1(10) . . . . ?
C65 C64 C69 C68 -1.2(8) . . . . ?
B1 C64 C69 C68 177.9(5) . . . . ?
C72 C71 C70 C75 1.2(8) . . . . ?
C72 C71 C70 B1 -178.1(5) . . . . ?
C74 C75 C70 C71 -0.1(8) . . . . ?
C74 C75 C70 B1 179.2(5) . . . . ?
C70 C75 C74 C73 -0.1(9) . . . . ?
C32 N1 C31 N2 0.3(6) . . . . ?
C34 N1 C31 N2 -173.0(5) . . . . ?
C32 N1 C31 Ag1 -179.1(4) . . . . ?
C34 N1 C31 Ag1 7.6(8) . . . . ?
C33 N2 C31 N1 -0.5(6) . . . . ?
C46 N2 C31 N1 178.4(5) . . . . ?
C33 N2 C31 Ag1 178.9(4) . . . . ?
C46 N2 C31 Ag1 -2.2(8) . . . . ?
P1 Ag1 C31 N1 45.5(6) . . . . ?
P2 Ag1 C31 N1 -137.3(4) . . . . ?
P1 Ag1 C31 N2 -133.7(4) . . . . ?
P2 Ag1 C31 N2 43.5(6) . . . . ?
C14 C13 C18 C17 -1.8(9) . . . . ?
P2 C13 C18 C17 173.1(5) . . . . ?
C4 C5 C6 C1 -0.5(9) . . . . ?
C2 C1 C6 C5 -0.9(8) . . . . ?
P1 C1 C6 C5 178.4(4) . . . . ?
C35 C34 C39 C38 -0.7(7) . . . . ?
N1 C34 C39 C38 -178.1(4) . . . . ?
C35 C34 C39 C43 -179.6(5) . . . . ?
N1 C34 C39 C43 3.0(7) . . . . ?
C37 C38 C39 C34 -0.2(8) . . . . ?
C37 C38 C39 C43 178.7(5) . . . . ?
C44 C43 C39 C34 -143.5(5) . . . . ?
C45 C43 C39 C34 93.2(6) . . . . ?
C44 C43 C39 C38 37.6(7) . . . . ?
C45 C43 C39 C38 -85.7(7) . . . . ?
C70 C71 C72 C73 -2.2(9) . . . . ?
N1 C32 C33 N2 -0.2(7) . . . . ?
C31 N2 C33 C32 0.5(7) . . . . ?
C46 N2 C33 C32 -178.4(6) . . . . ?
C61 C60 C59 C58 0.9(10) . . . . ?
C63 C58 C59 C60 -1.9(9) . . . . ?
B1 C58 C59 C60 177.8(6) . . . . ?
C64 C69 C68 C67 1.1(9) . . . . ?
C66 C67 C68 C69 0.1(9) . . . . ?
C24 C19 C20 C21 -0.7(11) . . . . ?
P2 C19 C20 C21 -175.6(6) . . . . ?
C67 C66 C65 C64 1.0(10) . . . . ?
C69 C64 C65 C66 0.2(9) . . . . ?
B1 C64 C65 C66 -178.9(6) . . . . ?
C77 C76 C81 C80 -1.1(9) . . . . ?
B1 C76 C81 C80 176.8(6) . . . . ?
C58 C63 C62 C61 -1.6(9) . . . . ?
C71 C72 C73 C74 1.9(9) . . . . ?
C75 C74 C73 C72 -0.8(8) . . . . ?
F4 C16 C17 C18 -177.8(6) . . . . ?
C15 C16 C17 C18 1.2(10) . . . . ?
C13 C18 C17 C16 0.6(10) . . . . ?
F4 C16 C15 C14 177.3(5) . . . . ?
C17 C16 C15 C14 -1.7(10) . . . . ?
C13 C14 C15 C16 0.5(9) . . . . ?
C29 C28 C27 C26 -1.1(10) . . . . ?
C25 C26 C27 C28 1.1(9) . . . . ?
P2 C26 C27 C28 -177.3(5) . . . . ?
C79 C78 C77 C76 -0.6(10) . . . . ?
C81 C76 C77 C78 0.8(9) . . . . ?
B1 C76 C77 C78 -176.9(6) . . . . ?
C9 C10 C11 C12 0.2(11) . . . . ?
F2 C10 C11 C12 -179.7(6) . . . . ?
C7 C12 C11 C10 -0.5(11) . . . . ?
C77 C76 B1 C64 -132.6(6) . . . . ?
C81 C76 B1 C64 49.8(7) . . . . ?
C77 C76 B1 C70 104.2(6) . . . . ?
C81 C76 B1 C70 -73.5(6) . . . . ?
C77 C76 B1 C58 -12.1(8) . . . . ?
C81 C76 B1 C58 170.3(5) . . . . ?
C69 C64 B1 C76 37.7(7) . . . . ?
C65 C64 B1 C76 -143.4(5) . . . . ?
C69 C64 B1 C70 160.2(5) . . . . ?
C65 C64 B1 C70 -20.8(8) . . . . ?
C69 C64 B1 C58 -83.3(6) . . . . ?
C65 C64 B1 C58 95.6(6) . . . . ?
C71 C70 B1 C76 14.9(7) . . . . ?
C75 C70 B1 C76 -164.4(5) . . . . ?
C71 C70 B1 C64 -107.1(6) . . . . ?
C75 C70 B1 C64 73.6(6) . . . . ?
C71 C70 B1 C58 134.1(5) . . . . ?
C75 C70 B1 C58 -45.2(7) . . . . ?
C63 C58 B1 C76 -102.5(6) . . . . ?
C59 C58 B1 C76 77.8(6) . . . . ?
C63 C58 B1 C64 18.0(7) . . . . ?
C59 C58 B1 C64 -161.7(5) . . . . ?
C63 C58 B1 C70 138.2(5) . . . . ?
C59 C58 B1 C70 -41.5(7) . . . . ?
C76 C81 C80 C79 1.1(10) . . . . ?
C59 C60 C61 C62 -0.1(10) . . . . ?
C63 C62 C61 C60 0.4(9) . . . . ?
C81 C80 C79 C78 -0.7(11) . . . . ?
C77 C78 C79 C80 0.5(10) . . . . ?
C49 C48 C47 C46 0.7(10) . . . . ?
C49 C48 C47 C55 179.8(7) . . . . ?
C51 C46 C47 C48 -2.9(10) . . . . ?
N2 C46 C47 C48 180.0(5) . . . . ?
C51 C46 C47 C55 178.0(7) . . . . ?
N2 C46 C47 C55 0.9(9) . . . . ?
C56 C55 C47 C48 101.3(8) . . . . ?
C57 C55 C47 C48 -26.0(10) . . . . ?
C56 C55 C47 C46 -79.7(9) . . . . ?
C57 C55 C47 C46 153.1(7) . . . . ?
C47 C48 C49 C50 1.1(12) . . . . ?
C47 C46 C51 C50 3.1(11) . . . . ?
N2 C46 C51 C50 -179.8(7) . . . . ?
C47 C46 C51 C52 -176.1(7) . . . . ?
N2 C46 C51 C52 1.0(11) . . . . ?
F3 C22 C21 C20 179.3(9) . . . . ?
C23 C22 C21 C20 -4.3(16) . . . . ?
C19 C20 C21 C22 3.3(13) . . . . ?
C48 C49 C50 C51 -1.0(13) . . . . ?
C46 C51 C50 C49 -1.1(13) . . . . ?
C52 C51 C50 C49 178.1(8) . . . . ?
F3 C22 C23 C24 179.0(9) . . . . ?
C21 C22 C23 C24 2.6(16) . . . . ?
C19 C24 C23 C22 0.2(14) . . . . ?
C46 C51 C52 C54 130.6(9) . . . . ?
C50 C51 C52 C54 -48.5(13) . . . . ?
C46 C51 C52 C53 -105.5(13) . . . . ?
C50 C51 C52 C53 75.3(14) . . . . ?

# The following lines are used to test the character set of files sent by
# network email or other means. They are not part of the CIF data set
# abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ0123456789
# !@#$%^&*()_+{}:"~<>?|\-=[];'`,./

# END of CIF
####################################################################### 
# 
# 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_auto
_database_code_depnum_ccdc_archive 'CCDC 1472559'
_audit_update_record             
;
2016-04-06 deposited with the CCDC.
2016-08-26 downloaded from the CCDC.
;

_audit_creation_date             2014-03-24T11:35:31-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'

#==============================================================================

# CHEMICAL DATA

_chemical_name_systematic        
;
 ?
;
_chemical_formula_sum            'C81 H80 Ag B N2 P2'
_chemical_formula_analytical     ?
_chemical_formula_weight         1262.09
_chemical_absolute_configuration unk

#==============================================================================

# CRYSTAL DATA

_symmetry_space_group_name_H-M   P41
_symmetry_cell_setting           tetragonal
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-y, x, z+1/4'
'y, -x, z+3/4'

_cell_length_a                   17.4551(13)
_cell_length_b                   17.4551(11)
_cell_length_c                   44.281(3)
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 90.000(5)
_cell_angle_gamma                90.000(5)
_cell_volume                     13491.4(16)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    8594
_cell_measurement_theta_min      3.1929
_cell_measurement_theta_max      27.4835
_cell_measurement_temperature    123(2)
_exptl_crystal_description       Prism
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_exptl_crystal_density_diffrn    1.243
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5296
_exptl_absorpt_coefficient_mu    0.392
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.8548
_exptl_absorpt_correction_T_max  1

#==============================================================================

# EXPERIMENTAL DATA

_exptl_special_details           
;
 ?
;
_diffrn_ambient_temperature      123(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_measurement_device       
;
        Saturn70 CCD (4x4 bin mode)
;
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_method       dtprofit.ref
_diffrn_detector_area_resol_mean 28.5714
_diffrn_reflns_number            110656
_diffrn_reflns_av_R_equivalents  0.0803
_diffrn_reflns_av_unetI/netI     0.0692
_diffrn_reflns_theta_min         3.19
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_full        27.47
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -57
_diffrn_reflns_limit_l_max       55
_diffrn_reflns_reduction_process 'Lp corrections applied'

#==============================================================================

# STRUCTURE SOLUTION

_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom

#==============================================================================

# REFINEMENT DATA

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total             30131
_reflns_number_gt                27318
_reflns_threshold_expression     >2sigma(I)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0573
_refine_ls_R_factor_gt           0.0493
_refine_ls_wR_factor_ref         0.1048
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_restrained_S_all      1.063
_refine_ls_number_reflns         30131
_refine_ls_number_parameters     1557
_refine_ls_number_restraints     1
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0329P)²+5.6853P] where P=(Fo²+2Fc²)/3'
_refine_ls_shift/su_max          0.027
_refine_ls_shift/su_mean         0.002
_refine_diff_density_max         0.748
_refine_diff_density_min         -0.617
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.018(12)
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2000)'
_computing_structure_solution    
;
        ????
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'

#==============================================================================

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Ag1 0.457358(14) -0.407482(15) 0.803364(6) 0.02528(6) Uani d . 1 . . Ag
Ag2 0.913114(14) 0.041971(15) 0.886671(6) 0.02507(6) Uani d . 1 . . Ag
P2 0.53514(5) -0.29428(5) 0.82193(2) 0.02338(18) Uani d . 1 . . P
P4 0.81310(5) 0.10911(5) 0.85641(2) 0.02406(19) Uani d . 1 . . P
P3 0.82929(5) -0.07047(5) 0.87092(2) 0.02469(19) Uani d . 1 . . P
P1 0.56255(5) -0.47295(5) 0.83109(2) 0.02447(19) Uani d . 1 . . P
N4 1.07557(17) 0.10719(17) 0.90650(7) 0.0284(7) Uani d . 1 . . N
N2 0.33699(18) -0.39487(18) 0.75088(8) 0.0328(7) Uani d . 1 . . N
N3 1.02758(17) 0.03845(17) 0.94160(7) 0.0278(7) Uani d . 1 . . N
C5 0.6543(2) -0.48311(18) 0.81194(8) 0.0257(8) Uani d . 1 . . C
C011 0.7243(2) -0.4830(2) 0.82727(10) 0.0332(9) Uani d . 1 . . C
H011 0.7252 -0.4801 0.8487 0.04 Uiso calc R 1 . . H
C012 0.58620(19) -0.40790(18) 0.86213(8) 0.0232(7) Uani d . 1 . . C
N1 0.28930(18) -0.46127(17) 0.78620(8) 0.0316(7) Uani d . 1 . . N
C014 0.4498(2) -0.1816(2) 0.85060(9) 0.0321(8) Uani d . 1 . . C
H014 0.4268 -0.2236 0.8608 0.038 Uiso calc R 1 . . H
C015 0.5435(2) -0.5643(2) 0.84921(9) 0.0257(7) Uani d . 1 . . C
C016 0.8729(2) 0.3204(2) 0.79860(9) 0.0344(9) Uani d . 1 . . C
H016 0.8861 0.3635 0.7866 0.041 Uiso calc R 1 . . H
C017 0.6311(2) -0.0716(2) 0.93965(11) 0.0415(10) Uani d . 1 . . C
H017 0.5907 -0.0711 0.954 0.05 Uiso calc R 1 . . H
C018 0.5763(2) -0.32855(19) 0.85754(8) 0.0252(7) Uani d . 1 . . C
C019 1.0532(2) -0.1259(2) 0.94265(11) 0.0400(10) Uani d . 1 . . C
H019 1.0922 -0.0858 0.9378 0.048 Uiso calc R 1 . . H
C020 1.0939(3) -0.1890(2) 0.96015(12) 0.0476(12) Uani d . 1 . . C
H02A 1.114 -0.1681 0.9791 0.071 Uiso calc R 1 . . H
H02B 1.1362 -0.2093 0.948 0.071 Uiso calc R 1 . . H
H02C 1.0575 -0.2303 0.9646 0.071 Uiso calc R 1 . . H
C021 1.3106(2) 0.1466(2) 0.94602(9) 0.0306(8) Uani d . 1 . . C
H021 1.2858 0.1575 0.9646 0.037 Uiso calc R 1 . . H
C022 1.0908(2) 0.1486(2) 0.87901(9) 0.0312(8) Uani d . 1 . . C
C023 0.9095(2) -0.1907(2) 0.84519(10) 0.0360(9) Uani d . 1 . . C
H023 0.9346 -0.1512 0.8343 0.043 Uiso calc R 1 . . H
C024 0.6928(2) -0.28877(19) 0.80511(9) 0.0289(8) Uani d . 1 . . C
H024 0.7046 -0.2886 0.826 0.035 Uiso calc R 1 . . H
C025 0.5152(3) -0.0594(2) 0.82000(10) 0.0430(11) Uani d . 1 . . C
H025 0.5373 -0.0174 0.8095 0.052 Uiso calc R 1 . . H
C026 1.3496(2) 0.0760(2) 0.94312(9) 0.0266(8) Uani d . 1 . . C
C027 0.3008(2) -0.5863(2) 0.80979(10) 0.0360(9) Uani d . 1 . . C
C028 0.6736(2) -0.08625(19) 0.88838(10) 0.0315(8) Uani d . 1 . . C
H028 0.6625 -0.0967 0.8678 0.038 Uiso calc R 1 . . H
C029 0.7766(2) 0.0391(2) 0.82904(8) 0.0255(7) Uani d . 1 . . C
C030 0.3879(2) -0.8677(2) 0.80364(11) 0.0406(9) Uani d . 1 . . C
H030 0.3574 -0.8687 0.8214 0.049 Uiso calc R 1 . . H
C031 0.5994(2) -0.2883(2) 0.76477(9) 0.0316(8) Uani d . 1 . . C
H031 0.5476 -0.2881 0.7581 0.038 Uiso calc R 1 . . H
C032 1.01182(19) 0.06515(19) 0.91344(9) 0.0240(7) Uani d . 1 . . C
C033 0.8156(2) -0.2304(2) 0.88157(10) 0.0336(9) Uani d . 1 . . C
H033 0.7759 -0.2185 0.8955 0.04 Uiso calc R 1 . . H
C034 0.74149(19) 0.0623(2) 0.80233(9) 0.0298(8) Uani d . 1 . . C
H034 0.7357 0.1154 0.7981 0.036 Uiso calc R 1 . . H
C035 0.7985(2) 0.3110(2) 0.80865(10) 0.0373(9) Uani d . 1 . . C
H035 0.7606 0.3478 0.8035 0.045 Uiso calc R 1 . . H
C036 0.5412(2) -0.13339(19) 0.81454(9) 0.0298(8) Uani d . 1 . . C
H036 0.5813 -0.1419 0.8004 0.036 Uiso calc R 1 . . H
C037 0.7603(2) -0.0931(2) 0.81384(9) 0.0315(8) Uani d . 1 . . C
H037 0.7671 -0.1463 0.8174 0.038 Uiso calc R 1 . . H
C038 0.6155(2) -0.0866(2) 0.90962(10) 0.0352(9) Uani d . 1 . . C
H038 0.5644 -0.0972 0.9035 0.042 Uiso calc R 1 . . H
C039 1.2304(2) -0.0436(3) 0.99752(10) 0.0360(9) Uani d . 1 . . C
H039 1.2371 -0.0902 0.9867 0.043 Uiso calc R 1 . . H
C040 0.3872(2) -0.3484(2) 0.73239(10) 0.0355(9) Uani d . 1 . . C
C041 0.7925(2) -0.4871(2) 0.81135(11) 0.0387(10) Uani d . 1 . . C
H041 0.8399 -0.4881 0.8219 0.046 Uiso calc R 1 . . H
C042 0.4067(2) -0.7245(3) 0.66927(11) 0.0445(11) Uani d . 1 . . C
H042 0.3859 -0.6745 0.6715 0.053 Uiso calc R 1 . . H
C043 0.4793(2) -0.8637(2) 0.75018(10) 0.0339(9) Uani d . 1 . . C
C044 0.7248(2) -0.0692(2) 0.78729(9) 0.0312(8) Uani d . 1 . . C
H044 0.7076 -0.1062 0.7731 0.037 Uiso calc R 1 . . H
C045 0.7402(2) 0.1866(2) 0.90302(10) 0.0387(9) Uani d . 1 . . C
H045 0.789 0.2094 0.906 0.046 Uiso calc R 1 . . H
C046 0.7293(2) 0.1349(2) 0.87908(9) 0.0277(8) Uani d . 1 . . C
C047 0.8510(2) -0.1720(2) 0.86533(9) 0.0277(8) Uani d . 1 . . C
C048 0.7483(2) -0.07061(18) 0.89731(9) 0.0267(8) Uani d . 1 . . C
C049 1.3410(2) 0.1871(2) 0.89557(10) 0.0379(9) Uani d . 1 . . C
H049 1.3375 0.2235 0.8797 0.045 Uiso calc R 1 . . H
C050 0.9768(2) -0.0083(2) 0.96002(9) 0.0301(8) Uani d . 1 . . C
C051 0.7791(2) 0.2481(2) 0.82627(9) 0.0307(8) Uani d . 1 . . C
H051 0.7279 0.2418 0.8331 0.037 Uiso calc R 1 . . H
C052 0.5978(2) -0.2785(2) 0.88037(9) 0.0314(8) Uani d . 1 . . C
H052 0.5905 -0.2251 0.8776 0.038 Uiso calc R 1 . . H
C053 0.6081(2) -0.8073(2) 0.72472(9) 0.0310(8) Uani d . 1 . . C
C054 0.9316(2) -0.2667(2) 0.84079(11) 0.0412(10) Uani d . 1 . . C
H054 0.9708 -0.279 0.8267 0.049 Uiso calc R 1 . . H
C055 0.8345(2) 0.19412(19) 0.83395(9) 0.0259(7) Uani d . 1 . . C
C056 1.1675(3) -0.0374(3) 1.01666(11) 0.0494(12) Uani d . 1 . . C
H056 1.1326 -0.0789 1.0187 0.059 Uiso calc R 1 . . H
C057 0.4254(3) -0.8371(3) 0.64034(11) 0.0478(11) Uani d . 1 . . C
H057 0.4173 -0.8656 0.6223 0.057 Uiso calc R 1 . . H
C058 0.3532(2) -0.42286(19) 0.77841(9) 0.0272(8) Uani d . 1 . . C
C059 0.6298(2) -0.3049(2) 0.90720(9) 0.0350(9) Uani d . 1 . . C
H059 0.6447 -0.2696 0.9225 0.042 Uiso calc R 1 . . H
C060 0.7322(2) -0.7033(3) 0.73287(10) 0.0419(10) Uani d . 1 . . C
H060 0.7734 -0.6684 0.7354 0.05 Uiso calc R 1 . . H
C061 1.3067(2) 0.2011(2) 0.92308(10) 0.0357(9) Uani d . 1 . . C
H061 1.2803 0.248 0.9264 0.043 Uiso calc R 1 . . H
C062 1.0993(2) 0.0624(2) 0.95175(10) 0.0356(9) Uani d . 1 . . C
H062 1.1222 0.0509 0.9707 0.043 Uiso calc R 1 . . H
C063 0.3112(2) -0.2304(2) 0.75020(11) 0.0424(11) Uani d . 1 . . C
H063 0.2687 -0.2682 0.753 0.051 Uiso calc R 1 . . H
C064 0.9283(2) 0.2667(2) 0.80614(10) 0.0359(9) Uani d . 1 . . C
H064 0.9794 0.273 0.7992 0.043 Uiso calc R 1 . . H
C065 0.4661(2) -0.8588(2) 0.80537(10) 0.0382(9) Uani d . 1 . . C
H065 0.4898 -0.8537 0.8246 0.046 Uiso calc R 1 . . H
C066 0.7916(2) -0.4897(2) 0.78027(11) 0.0381(10) Uani d . 1 . . C
H066 0.8386 -0.492 0.7695 0.046 Uiso calc R 1 . . H
C067 0.4829(2) -0.8303(2) 0.69070(9) 0.0314(8) Uani d . 1 . . C
C068 0.7636(2) -0.0561(2) 0.92767(10) 0.0359(9) Uani d . 1 . . C
H068 0.8146 -0.0452 0.9339 0.043 Uiso calc R 1 . . H
C069 0.6163(2) -0.28908(19) 0.79566(8) 0.0269(8) Uani d . 1 . . C
C070 1.5029(2) 0.0588(2) 0.97599(10) 0.0346(9) Uani d . 1 . . C
H070 1.501 0.0728 0.9553 0.041 Uiso calc R 1 . . H
C071 0.2803(2) -0.5094(2) 0.81258(9) 0.0319(8) Uani d . 1 . . C
C072 1.3001(2) -0.0982(3) 0.93446(10) 0.0390(10) Uani d . 1 . . C
H072 1.258 -0.0646 0.9314 0.047 Uiso calc R 1 . . H
C073 0.4688(3) -0.8688(3) 0.66361(10) 0.0419(10) Uani d . 1 . . C
H073 0.4895 -0.9187 0.661 0.05 Uiso calc R 1 . . H
C074 0.50843(19) -0.19522(19) 0.82975(9) 0.0256(7) Uani d . 1 . . C
C075 1.5703(2) 0.0717(2) 0.99182(11) 0.0422(10) Uani d . 1 . . C
H075 1.6135 0.0934 0.9819 0.051 Uiso calc R 1 . . H
C076 0.3360(2) -0.6182(2) 0.78086(11) 0.0395(10) Uani d . 1 . . C
H076 0.3415 -0.575 0.7662 0.047 Uiso calc R 1 . . H
C077 1.0397(2) 0.2685(2) 0.90500(10) 0.0383(9) Uani d . 1 . . C
H077 1.057 0.2415 0.9237 0.046 Uiso calc R 1 . . H
C078 0.7144(2) 0.0075(2) 0.78144(9) 0.0341(9) Uani d . 1 . . C
H078 0.6892 0.0234 0.7635 0.041 Uiso calc R 1 . . H
C079 0.78593(19) -0.04035(19) 0.83530(8) 0.0249(7) Uani d . 1 . . C
C080 0.5997(2) -0.7377(2) 0.73975(10) 0.0361(9) Uani d . 1 . . C
H080 0.5508 -0.725 0.7477 0.043 Uiso calc R 1 . . H
C081 0.7346(2) -0.2880(2) 0.75345(10) 0.0354(9) Uani d . 1 . . C
H081 0.7748 -0.2877 0.739 0.042 Uiso calc R 1 . . H
C082 1.1293(3) 0.2282(3) 0.82798(11) 0.0462(11) Uani d . 1 . . C
H082 1.1416 0.2557 0.8101 0.055 Uiso calc R 1 . . H
C083 0.4469(3) -0.3845(3) 0.71617(10) 0.0453(11) Uani d . 1 . . C
C084 1.3602(2) -0.0735(2) 0.95343(9) 0.0304(8) Uani d . 1 . . C
C085 1.1295(2) 0.1046(2) 0.92962(10) 0.0356(9) Uani d . 1 . . C
H085 1.1784 0.1283 0.9296 0.043 Uiso calc R 1 . . H
C086 1.1264(2) 0.1082(3) 0.85556(10) 0.0389(10) Uani d . 1 . . C
C087 0.9911(2) -0.0878(2) 0.96125(10) 0.0358(9) Uani d . 1 . . C
C088 0.2628(2) -0.4147(2) 0.74147(11) 0.0401(10) Uani d . 1 . . C
H088 0.2386 -0.4012 0.723 0.048 Uiso calc R 1 . . H
C089 0.7516(2) -0.2886(2) 0.78386(10) 0.0329(9) Uani d . 1 . . C
H089 0.8035 -0.289 0.7903 0.039 Uiso calc R 1 . . H
C090 0.3729(2) -0.2685(2) 0.73110(10) 0.0383(10) Uani d . 1 . . C
C091 0.9093(2) 0.2039(2) 0.82378(9) 0.0326(9) Uani d . 1 . . C
H091 0.9474 0.1674 0.8289 0.039 Uiso calc R 1 . . H
C092 1.4212(2) -0.1257(2) 0.95555(9) 0.0326(8) Uani d . 1 . . C
H092 1.464 -0.1125 0.9678 0.039 Uiso calc R 1 . . H
C093 1.0761(2) 0.2276(2) 0.87846(10) 0.0341(9) Uani d . 1 . . C
C094 0.3941(2) -0.7648(3) 0.64309(11) 0.0453(11) Uani d . 1 . . C
H094 0.3645 -0.7433 0.6272 0.054 Uiso calc R 1 . . H
C095 1.2843(2) 0.0145(2) 0.99326(9) 0.0332(9) Uani d . 1 . . C
C096 0.6580(2) 0.1010(2) 0.87533(10) 0.0356(9) Uani d . 1 . . C
H096 0.6497 0.0659 0.8593 0.043 Uiso calc R 1 . . H
C097 0.9197(2) 0.0286(2) 0.97644(10) 0.0364(9) Uani d . 1 . . C
C098 0.4555(2) -0.6396(2) 0.87923(10) 0.0404(10) Uani d . 1 . . C
H098 0.4099 -0.6432 0.8909 0.048 Uiso calc R 1 . . H
C099 0.6103(3) 0.1700(3) 0.91861(11) 0.0475(12) Uani d . 1 . . C
H099 0.5698 0.1816 0.9322 0.057 Uiso calc R 1 . . H
C100 0.6827(2) -0.8235(3) 0.71446(10) 0.0402(10) Uani d . 1 . . C
H100 0.6923 -0.8707 0.7045 0.048 Uiso calc R 1 . . H
C101 0.8862(3) -0.0955(3) 0.99691(11) 0.0479(11) Uani d . 1 . . C
H101 0.855 -0.1258 1.0098 0.057 Uiso calc R 1 . . H
C102 1.4370(2) 0.0259(2) 0.98921(9) 0.0290(8) Uani d . 1 . . C
C103 0.9425(3) -0.1304(3) 0.97981(12) 0.0483(12) Uani d . 1 . . C
H103 0.9483 -0.1845 0.9807 0.058 Uiso calc R 1 . . H
C104 1.2993(3) -0.1689(3) 0.92010(10) 0.0458(11) Uani d . 1 . . C
H104 1.2567 -0.1832 0.908 0.055 Uiso calc R 1 . . H
C105 0.4498(2) -0.7567(2) 0.69256(10) 0.0391(9) Uani d . 1 . . C
H105 0.4572 -0.7278 0.7105 0.047 Uiso calc R 1 . . H
C106 0.7058(3) -0.0573(3) 0.94876(11) 0.0432(10) Uani d . 1 . . C
H106 0.717 -0.0485 0.9695 0.052 Uiso calc R 1 . . H
C107 1.3842(2) 0.0657(2) 0.91476(9) 0.0358(9) Uani d . 1 . . C
H107 1.4117 0.0196 0.9112 0.043 Uiso calc R 1 . . H
C108 0.5423(3) -1.0151(2) 0.73149(11) 0.0407(10) Uani d . 1 . . C
H108 0.5124 -1.0058 0.749 0.049 Uiso calc R 1 . . H
C109 1.0961(3) 0.2659(3) 0.85201(11) 0.0433(11) Uani d . 1 . . C
H109 1.0865 0.3193 0.8505 0.052 Uiso calc R 1 . . H
C110 0.4151(3) -0.6521(3) 0.78629(13) 0.0563(13) Uani d . 1 . . C
H11A 0.4487 -0.613 0.795 0.084 Uiso calc R 1 . . H
H11B 0.4366 -0.6698 0.7671 0.084 Uiso calc R 1 . . H
H11C 0.411 -0.6955 0.8003 0.084 Uiso calc R 1 . . H
C111 0.4571(3) -0.0468(2) 0.84076(11) 0.0448(11) Uani d . 1 . . C
H111 0.439 0.0037 0.8443 0.054 Uiso calc R 1 . . H
C112 0.5598(2) -0.9538(2) 0.71270(10) 0.0343(9) Uani d . 1 . . C
C113 0.7435(2) -0.7716(3) 0.71863(11) 0.0444(11) Uani d . 1 . . C
H113 0.7931 -0.7843 0.7114 0.053 Uiso calc R 1 . . H
C114 0.2892(3) -0.6344(3) 0.83479(11) 0.0472(12) Uani d . 1 . . C
H114 0.3039 -0.6867 0.8339 0.057 Uiso calc R 1 . . H
C115 0.8380(2) -0.3058(2) 0.87746(11) 0.0409(10) Uani d . 1 . . C
H115 0.8137 -0.3455 0.8886 0.049 Uiso calc R 1 . . H
C116 1.3604(3) -0.2185(3) 0.92338(11) 0.0486(12) Uani d . 1 . . C
H116 1.3599 -0.2674 0.9139 0.058 Uiso calc R 1 . . H
C117 0.6183(2) -0.4339(2) 0.88909(9) 0.0315(8) Uani d . 1 . . C
H117 0.6254 -0.4872 0.8922 0.038 Uiso calc R 1 . . H
C118 0.5021(2) -0.7033(2) 0.87545(12) 0.0460(12) Uani d . 1 . . C
H118 0.4885 -0.7509 0.8844 0.055 Uiso calc R 1 . . H
C119 1.2096(3) 0.0871(3) 1.03078(12) 0.0582(14) Uani d . 1 . . C
H119 1.2028 0.1322 1.0425 0.07 Uiso calc R 1 . . H
C120 0.2563(3) -0.6051(3) 0.86081(12) 0.0551(13) Uani d . 1 . . C
H120 0.2474 -0.6378 0.8776 0.066 Uiso calc R 1 . . H
C121 0.2333(2) -0.4570(2) 0.76403(10) 0.0394(10) Uani d . 1 . . C
H121 0.1838 -0.4796 0.7647 0.047 Uiso calc R 1 . . H
C122 0.9518(3) 0.2622(2) 0.90387(12) 0.0463(11) Uani d . 1 . . C
H12A 0.9297 0.2891 0.9212 0.069 Uiso calc R 1 . . H
H12B 0.9369 0.2082 0.9045 0.069 Uiso calc R 1 . . H
H12C 0.933 0.2854 0.8851 0.069 Uiso calc R 1 . . H
C123 0.6586(2) -0.2878(2) 0.74387(10) 0.0358(9) Uani d . 1 . . C
H123 0.6472 -0.2873 0.7229 0.043 Uiso calc R 1 . . H
C124 0.5108(2) -0.8572(2) 0.77956(10) 0.0355(9) Uani d . 1 . . C
H124 0.5647 -0.8516 0.7816 0.043 Uiso calc R 1 . . H
C125 1.0629(3) 0.3529(3) 0.90821(13) 0.0582(14) Uani d . 1 . . C
H12D 1.0371 0.3753 0.9258 0.087 Uiso calc R 1 . . H
H12E 1.048 0.381 0.89 0.087 Uiso calc R 1 . . H
H12F 1.1185 0.3565 0.9109 0.087 Uiso calc R 1 . . H
C126 1.2733(3) 0.0801(3) 1.01189(10) 0.0467(11) Uani d . 1 . . C
H126 1.3102 0.1201 1.0115 0.056 Uiso calc R 1 . . H
C127 0.6596(3) -0.6856(3) 0.74370(11) 0.0431(10) Uani d . 1 . . C
H127 0.6507 -0.6383 0.7537 0.052 Uiso calc R 1 . . H
C128 0.2479(2) -0.4781(3) 0.83864(11) 0.0433(11) Uani d . 1 . . C
C129 0.8745(3) -0.0170(3) 0.99551(10) 0.0434(10) Uani d . 1 . . C
H129 0.8357 0.006 1.0075 0.052 Uiso calc R 1 . . H
C130 0.4197(3) -0.2267(3) 0.71172(11) 0.0455(11) Uani d . 1 . . C
H130 0.4122 -0.1729 0.7101 0.055 Uiso calc R 1 . . H
C131 0.4759(2) -0.5707(2) 0.86592(10) 0.0350(9) Uani d . 1 . . C
H131 0.4436 -0.5273 0.8682 0.042 Uiso calc R 1 . . H
C132 1.3804(3) 0.1198(2) 0.89158(10) 0.0404(10) Uani d . 1 . . C
H132 1.4052 0.11 0.8729 0.049 Uiso calc R 1 . . H
C133 0.6259(3) -1.0469(3) 0.68036(13) 0.0519(12) Uani d . 1 . . C
H133 0.6537 -1.0572 0.6624 0.062 Uiso calc R 1 . . H
C134 0.6399(2) -0.3827(2) 0.91146(9) 0.0338(9) Uani d . 1 . . C
H134 0.6617 -0.4011 0.9297 0.041 Uiso calc R 1 . . H
C135 0.8262(3) 0.1410(3) 0.98108(12) 0.0544(13) Uani d . 1 . . C
H13A 0.8233 0.197 0.98 0.082 Uiso calc R 1 . . H
H13B 0.8103 0.1239 1.0012 0.082 Uiso calc R 1 . . H
H13C 0.7923 0.1186 0.9658 0.082 Uiso calc R 1 . . H
C136 1.1443(3) 0.0239(3) 0.85769(12) 0.0492(12) Uani d . 1 . . C
H136 1.1395 0.0087 0.8794 0.059 Uiso calc R 1 . . H
C137 0.5880(2) -0.6284(2) 0.84563(13) 0.0453(12) Uani d . 1 . . C
H137 0.6334 -0.6255 0.8339 0.054 Uiso calc R 1 . . H
C138 1.0869(3) -0.0230(3) 0.83990(14) 0.0631(15) Uani d . 1 . . C
H13D 1.0994 -0.0775 0.8418 0.095 Uiso calc R 1 . . H
H13E 1.089 -0.008 0.8186 0.095 Uiso calc R 1 . . H
H13F 1.0353 -0.0137 0.8478 0.095 Uiso calc R 1 . . H
C139 0.5465(4) -0.4899(4) 0.70978(13) 0.0752(19) Uani d . 1 . . C
H13G 0.555 -0.5447 0.713 0.113 Uiso calc R 1 . . H
H13H 0.5841 -0.4604 0.7214 0.113 Uiso calc R 1 . . H
H13I 0.5522 -0.4781 0.6883 0.113 Uiso calc R 1 . . H
C140 0.5678(3) -0.6972(2) 0.85878(14) 0.0573(15) Uani d . 1 . . C
H140 0.5998 -0.7407 0.8562 0.069 Uiso calc R 1 . . H
B200 1.3571(2) 0.0106(2) 0.96971(11) 0.0267(8) Uiso d . 1 . . B
C142 0.3994(2) -0.8731(3) 0.74946(10) 0.0429(10) Uani d . 1 . . C
H142 0.3749 -0.8781 0.7304 0.051 Uiso calc R 1 . . H
C143 1.4445(3) 0.0073(3) 1.01957(11) 0.0431(10) Uani d . 1 . . C
H143 1.4021 -0.0152 1.0296 0.052 Uiso calc R 1 . . H
C144 0.6550(2) -0.4868(2) 0.78059(10) 0.0353(9) Uani d . 1 . . C
H144 0.6078 -0.4877 0.7699 0.042 Uiso calc R 1 . . H
C145 0.7236(3) -0.4891(2) 0.76470(11) 0.0440(10) Uani d . 1 . . C
H145 0.7234 -0.4904 0.7433 0.053 Uiso calc R 1 . . H
C146 0.2258(3) -0.3939(3) 0.84069(13) 0.0596(14) Uani d . 1 . . C
H146 0.237 -0.37 0.8206 0.072 Uiso calc R 1 . . H
C147 0.2771(3) -0.1585(3) 0.73516(14) 0.0596(15) Uani d . 1 . . C
H14A 0.2567 -0.172 0.7152 0.089 Uiso calc R 1 . . H
H14B 0.3172 -0.1196 0.7329 0.089 Uiso calc R 1 . . H
H14C 0.2358 -0.1381 0.7478 0.089 Uiso calc R 1 . . H
C148 0.5984(3) 0.1186(2) 0.89525(12) 0.0478(12) Uani d . 1 . . C
H148 0.5496 0.0953 0.8928 0.057 Uiso calc R 1 . . H
C149 0.6812(3) 0.2044(3) 0.92218(11) 0.0479(11) Uani d . 1 . . C
H149 0.6889 0.2405 0.938 0.057 Uiso calc R 1 . . H
C150 1.5742(3) 0.0528(3) 1.02199(13) 0.0511(13) Uani d . 1 . . C
H150 1.6199 0.0621 1.0331 0.061 Uiso calc R 1 . . H
C151 0.8959(3) -0.3238(2) 0.85716(11) 0.0426(10) Uani d . 1 . . C
H151 0.911 -0.3756 0.8545 0.051 Uiso calc R 1 . . H
C152 1.1562(3) 0.0286(3) 1.03253(11) 0.0537(13) Uani d . 1 . . C
H152 1.1118 0.0345 1.0447 0.064 Uiso calc R 1 . . H
C153 0.2830(3) -0.6786(3) 0.76662(13) 0.0578(13) Uani d . 1 . . C
H15A 0.2323 -0.6561 0.7632 0.087 Uiso calc R 1 . . H
H15B 0.2783 -0.7225 0.7803 0.087 Uiso calc R 1 . . H
H15C 0.3047 -0.6956 0.7473 0.087 Uiso calc R 1 . . H
C154 1.4219(3) -0.1958(2) 0.94059(10) 0.0430(10) Uani d . 1 . . C
H154 1.4653 -0.2284 0.9423 0.052 Uiso calc R 1 . . H
C155 0.5668(3) -1.0902(2) 0.72560(13) 0.0506(12) Uani d . 1 . . C
H155 0.5545 -1.1302 0.7393 0.061 Uiso calc R 1 . . H
C156 1.1446(3) 0.1507(3) 0.82966(11) 0.0474(11) Uani d . 1 . . C
H156 1.168 0.1258 0.813 0.057 Uiso calc R 1 . . H
C157 0.3547(3) -0.8753(3) 0.77540(11) 0.0456(11) Uani d . 1 . . C
H157 0.3009 -0.882 0.7737 0.055 Uiso calc R 1 . . H
C158 0.9087(3) 0.1153(3) 0.97517(11) 0.0443(11) Uani d . 1 . . C
H158 0.9225 0.1323 0.9543 0.053 Uiso calc R 1 . . H
C159 0.4250(3) -0.1082(2) 0.85652(11) 0.0434(10) Uani d . 1 . . C
H159 0.3864 -0.0995 0.8712 0.052 Uiso calc R 1 . . H
C160 1.2257(3) 0.0044(4) 0.84761(19) 0.083(2) Uani d . 1 . . C
H16A 1.2343 -0.0508 0.8497 0.124 Uiso calc R 1 . . H
H16B 1.2625 0.0322 0.8602 0.124 Uiso calc R 1 . . H
H16C 1.2325 0.0193 0.8264 0.124 Uiso calc R 1 . . H
C161 0.6084(3) -1.1062(3) 0.70020(14) 0.0552(14) Uani d . 1 . . C
H161 0.625 -1.157 0.6961 0.066 Uiso calc R 1 . . H
C162 1.5118(3) 0.0204(3) 1.03604(12) 0.0529(12) Uani d . 1 . . C
H162 1.5143 0.0069 1.0568 0.063 Uiso calc R 1 . . H
C163 0.6028(2) -0.9731(3) 0.68680(11) 0.0435(10) Uani d . 1 . . C
H163 0.6164 -0.9334 0.6732 0.052 Uiso calc R 1 . . H
C164 0.4654(3) -0.4685(3) 0.72013(11) 0.0536(13) Uani d . 1 . . C
H164 0.4632 -0.4791 0.7423 0.064 Uiso calc R 1 . . H
C165 0.9645(3) 0.1550(3) 0.99713(15) 0.0739(19) Uani d . 1 . . C
H16D 0.957 0.2106 0.9962 0.111 Uiso calc R 1 . . H
H16E 1.0173 0.1426 0.9915 0.111 Uiso calc R 1 . . H
H16F 0.9546 0.1372 1.0177 0.111 Uiso calc R 1 . . H
C166 0.4903(3) -0.3381(3) 0.69686(11) 0.0512(12) Uani d . 1 . . C
H166 0.5297 -0.3603 0.6849 0.061 Uiso calc R 1 . . H
C167 0.4763(3) -0.2607(4) 0.69498(12) 0.0620(15) Uani d . 1 . . C
H167 0.5065 -0.2302 0.6818 0.074 Uiso calc R 1 . . H
B100 0.5328(2) -0.8647(2) 0.71960(11) 0.0302(9) Uiso d . 1 . . B
C169 0.3425(3) -0.2104(3) 0.78126(12) 0.0524(12) Uani d . 1 . . C
H16G 0.3021 -0.1862 0.7933 0.079 Uiso calc R 1 . . H
H16H 0.3856 -0.1748 0.7791 0.079 Uiso calc R 1 . . H
H16I 0.36 -0.2571 0.7914 0.079 Uiso calc R 1 . . H
C4 0.4046(4) -0.5217(3) 0.70511(13) 0.0745(19) Uani d . 1 . . C
H4A 0.4188 -0.5754 0.7084 0.112 Uiso calc R 1 . . H
H4B 0.4025 -0.5112 0.6834 0.112 Uiso calc R 1 . . H
H4C 0.3542 -0.5119 0.7141 0.112 Uiso calc R 1 . . H
C1 0.2362(3) -0.5284(3) 0.86251(12) 0.0540(13) Uani d . 1 . . C
H1 0.2136 -0.5096 0.8806 0.065 Uiso calc R 1 . . H
C50 1.0220(3) -0.1555(3) 0.91317(12) 0.0581(14) Uani d . 1 . . C
H50A 0.9964 -0.1138 0.9023 0.087 Uiso calc R 1 . . H
H50B 0.9852 -0.1967 0.9172 0.087 Uiso calc R 1 . . H
H50C 1.0642 -0.1754 0.9008 0.087 Uiso calc R 1 . . H
C2 0.1395(4) -0.3838(4) 0.8469(2) 0.101(3) Uani d . 1 . . C
H2A 0.1099 -0.4105 0.8313 0.152 Uiso calc R 1 . . H
H2B 0.1266 -0.3292 0.8466 0.152 Uiso calc R 1 . . H
H2C 0.127 -0.4053 0.8668 0.152 Uiso calc R 1 . . H
C3 0.2744(5) -0.3534(4) 0.8640(2) 0.119(3) Uani d . 1 . . C
H3A 0.2597 -0.2993 0.865 0.179 Uiso calc R 1 . . H
H3B 0.3286 -0.3574 0.8584 0.179 Uiso calc R 1 . . H
H3C 0.2665 -0.3772 0.8838 0.179 Uiso calc R 1 . . H



#==============================================================================

# MOLECULAR GEOMETRY

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ag1 C058 . 2.144(3) ?
Ag1 P1 . 2.4868(9) ?
Ag1 P2 . 2.5344(9) ?
Ag2 C032 . 2.130(3) ?
Ag2 P4 . 2.4932(9) ?
Ag2 P3 . 2.5454(9) ?
P2 C074 . 1.824(4) ?
P2 C018 . 1.833(4) ?
P2 C069 . 1.836(4) ?
P4 C055 . 1.825(4) ?
P4 C046 . 1.830(4) ?
P4 C029 . 1.835(4) ?
P3 C079 . 1.827(4) ?
P3 C047 . 1.828(4) ?
P3 C048 . 1.834(4) ?
P1 C015 . 1.815(4) ?
P1 C5 . 1.821(4) ?
P1 C012 . 1.830(4) ?
N4 C032 . 1.368(4) ?
N4 C085 . 1.391(5) ?
N4 C022 . 1.440(5) ?
N2 C058 . 1.344(5) ?
N2 C088 . 1.403(5) ?
N2 C040 . 1.448(5) ?
N3 C032 . 1.359(5) ?
N3 C062 . 1.394(5) ?
N3 C050 . 1.454(5) ?
C5 C144 . 1.390(6) ?
C5 C011 . 1.398(5) ?
C011 C041 . 1.384(6) ?
C011 H011 . 0.95 ?
C012 C117 . 1.394(5) ?
C012 C018 . 1.410(5) ?
N1 C058 . 1.347(5) ?
N1 C121 . 1.387(5) ?
N1 C071 . 1.447(5) ?
C014 C159 . 1.377(5) ?
C014 C074 . 1.398(5) ?
C014 H014 . 0.95 ?
C015 C137 . 1.372(5) ?
C015 C131 . 1.396(6) ?
C016 C035 . 1.382(6) ?
C016 C064 . 1.387(6) ?
C016 H016 . 0.95 ?
C017 C038 . 1.382(6) ?
C017 C106 . 1.388(6) ?
C017 H017 . 0.95 ?
C018 C052 . 1.387(5) ?
C019 C50 . 1.506(7) ?
C019 C087 . 1.515(6) ?
C019 C020 . 1.523(6) ?
C019 H019 . 1 ?
C020 H02A . 0.98 ?
C020 H02B . 0.98 ?
C020 H02C . 0.98 ?
C021 C061 . 1.393(6) ?
C021 C026 . 1.414(5) ?
C021 H021 . 0.95 ?
C022 C086 . 1.400(6) ?
C022 C093 . 1.404(6) ?
C023 C054 . 1.394(6) ?
C023 C047 . 1.394(6) ?
C023 H023 . 0.95 ?
C024 C089 . 1.392(5) ?
C024 C069 . 1.399(5) ?
C024 H024 . 0.95 ?
C025 C111 . 1.386(6) ?
C025 C036 . 1.390(5) ?
C025 H025 . 0.95 ?
C026 C107 . 1.405(5) ?
C026 B200 . 1.646(6) ?
C027 C071 . 1.396(5) ?
C027 C114 . 1.403(6) ?
C027 C076 . 1.525(6) ?
C028 C038 . 1.383(6) ?
C028 C048 . 1.390(5) ?
C028 H028 . 0.95 ?
C029 C034 . 1.392(5) ?
C029 C079 . 1.424(5) ?
C030 C065 . 1.376(6) ?
C030 C157 . 1.384(6) ?
C030 H030 . 0.95 ?
C031 C123 . 1.387(6) ?
C031 C069 . 1.399(5) ?
C031 H031 . 0.95 ?
C033 C115 . 1.387(5) ?
C033 C047 . 1.393(5) ?
C033 H033 . 0.95 ?
C034 C078 . 1.413(5) ?
C034 H034 . 0.95 ?
C035 C051 . 1.390(5) ?
C035 H035 . 0.95 ?
C036 C074 . 1.395(5) ?
C036 H036 . 0.95 ?
C037 C044 . 1.393(5) ?
C037 C079 . 1.396(5) ?
C037 H037 . 0.95 ?
C038 H038 . 0.95 ?
C039 C056 . 1.392(6) ?
C039 C095 . 1.396(6) ?
C039 H039 . 0.95 ?
C040 C083 . 1.412(7) ?
C040 C090 . 1.418(6) ?
C041 C066 . 1.377(6) ?
C041 H041 . 0.95 ?
C042 C094 . 1.374(7) ?
C042 C105 . 1.395(6) ?
C042 H042 . 0.95 ?
C043 C142 . 1.404(6) ?
C043 C124 . 1.417(6) ?
C043 B100 . 1.645(6) ?
C044 C078 . 1.374(6) ?
C044 H044 . 0.95 ?
C045 C149 . 1.370(6) ?
C045 C046 . 1.405(6) ?
C045 H045 . 0.95 ?
C046 C096 . 1.389(5) ?
C048 C068 . 1.394(6) ?
C049 C132 . 1.373(6) ?
C049 C061 . 1.379(6) ?
C049 H049 . 0.95 ?
C050 C097 . 1.392(6) ?
C050 C087 . 1.411(5) ?
C051 C055 . 1.392(5) ?
C051 H051 . 0.95 ?
C052 C059 . 1.391(6) ?
C052 H052 . 0.95 ?
C053 C080 . 1.393(6) ?
C053 C100 . 1.408(6) ?
C053 B100 . 1.669(6) ?
C054 C151 . 1.382(6) ?
C054 H054 . 0.95 ?
C055 C091 . 1.390(5) ?
C056 C152 . 1.365(7) ?
C056 H056 . 0.95 ?
C057 C094 . 1.381(7) ?
C057 C073 . 1.394(6) ?
C057 H057 . 0.95 ?
C059 C134 . 1.382(6) ?
C059 H059 . 0.95 ?
C060 C113 . 1.362(6) ?
C060 C127 . 1.391(6) ?
C060 H060 . 0.95 ?
C061 H061 . 0.95 ?
C062 C085 . 1.334(6) ?
C062 H062 . 0.95 ?
C063 C169 . 1.521(6) ?
C063 C090 . 1.523(7) ?
C063 C147 . 1.541(6) ?
C063 H063 . 1 ?
C064 C091 . 1.386(5) ?
C064 H064 . 0.95 ?
C065 C124 . 1.384(6) ?
C065 H065 . 0.95 ?
C066 C145 . 1.373(6) ?
C066 H066 . 0.95 ?
C067 C073 . 1.397(6) ?
C067 C105 . 1.410(6) ?
C067 B100 . 1.660(6) ?
C068 C106 . 1.375(6) ?
C068 H068 . 0.95 ?
C070 C075 . 1.387(6) ?
C070 C102 . 1.414(6) ?
C070 H070 . 0.95 ?
C071 C128 . 1.396(6) ?
C072 C104 . 1.389(6) ?
C072 C084 . 1.411(6) ?
C072 H072 . 0.95 ?
C073 H073 . 0.95 ?
C075 C150 . 1.378(7) ?
C075 H075 . 0.95 ?
C076 C110 . 1.522(6) ?
C076 C153 . 1.537(6) ?
C076 H076 . 1 ?
C077 C093 . 1.515(6) ?
C077 C125 . 1.536(6) ?
C077 C122 . 1.538(6) ?
C077 H077 . 1 ?
C078 H078 . 0.95 ?
C080 C127 . 1.396(6) ?
C080 H080 . 0.95 ?
C081 C089 . 1.379(6) ?
C081 C123 . 1.393(6) ?
C081 H081 . 0.95 ?
C082 C156 . 1.380(7) ?
C082 C109 . 1.379(7) ?
C082 H082 . 0.95 ?
C083 C166 . 1.400(7) ?
C083 C164 . 1.513(6) ?
C084 C092 . 1.404(5) ?
C084 B200 . 1.636(6) ?
C085 H085 . 0.95 ?
C086 C156 . 1.403(6) ?
C086 C136 . 1.508(7) ?
C087 C103 . 1.396(6) ?
C088 C121 . 1.345(6) ?
C088 H088 . 0.95 ?
C089 H089 . 0.95 ?
C090 C130 . 1.392(6) ?
C091 H091 . 0.95 ?
C092 C154 . 1.393(6) ?
C092 H092 . 0.95 ?
C093 C109 . 1.392(6) ?
C094 H094 . 0.95 ?
C095 C126 . 1.424(6) ?
C095 B200 . 1.644(6) ?
C096 C148 . 1.398(6) ?
C096 H096 . 0.95 ?
C097 C129 . 1.403(6) ?
C097 C158 . 1.526(6) ?
C098 C131 . 1.386(5) ?
C098 C118 . 1.388(6) ?
C098 H098 . 0.95 ?
C099 C148 . 1.385(7) ?
C099 C149 . 1.385(7) ?
C099 H099 . 0.95 ?
C100 C113 . 1.407(6) ?
C100 H100 . 0.95 ?
C101 C103 . 1.383(7) ?
C101 C129 . 1.387(7) ?
C101 H101 . 0.95 ?
C102 C143 . 1.389(6) ?
C102 B200 . 1.662(6) ?
C103 H103 . 0.95 ?
C104 C116 . 1.381(7) ?
C104 H104 . 0.95 ?
C105 H105 . 0.95 ?
C106 H106 . 0.95 ?
C107 C132 . 1.396(6) ?
C107 H107 . 0.95 ?
C108 C112 . 1.390(6) ?
C108 C155 . 1.404(6) ?
C108 H108 . 0.95 ?
C109 H109 . 0.95 ?
C110 H11A . 0.98 ?
C110 H11B . 0.98 ?
C110 H11C . 0.98 ?
C111 C159 . 1.396(6) ?
C111 H111 . 0.95 ?
C112 C163 . 1.411(6) ?
C112 B100 . 1.653(6) ?
C113 H113 . 0.95 ?
C114 C120 . 1.385(7) ?
C114 H114 . 0.95 ?
C115 C151 . 1.387(6) ?
C115 H115 . 0.95 ?
C116 C154 . 1.375(7) ?
C116 H116 . 0.95 ?
C117 C134 . 1.386(6) ?
C117 H117 . 0.95 ?
C118 C140 . 1.367(7) ?
C118 H118 . 0.95 ?
C119 C152 . 1.383(8) ?
C119 C126 . 1.398(7) ?
C119 H119 . 0.95 ?
C120 C1 . 1.386(8) ?
C120 H120 . 0.95 ?
C121 H121 . 0.95 ?
C122 H12A . 0.98 ?
C122 H12B . 0.98 ?
C122 H12C . 0.98 ?
C123 H123 . 0.95 ?
C124 H124 . 0.95 ?
C125 H12D . 0.98 ?
C125 H12E . 0.98 ?
C125 H12F . 0.98 ?
C126 H126 . 0.95 ?
C127 H127 . 0.95 ?
C128 C1 . 1.389(7) ?
C128 C146 . 1.522(7) ?
C129 H129 . 0.95 ?
C130 C167 . 1.371(8) ?
C130 H130 . 0.95 ?
C131 H131 . 0.95 ?
C132 H132 . 0.95 ?
C133 C163 . 1.379(6) ?
C133 C161 . 1.392(7) ?
C133 H133 . 0.95 ?
C134 H134 . 0.95 ?
C135 C158 . 1.531(7) ?
C135 H13A . 0.98 ?
C135 H13B . 0.98 ?
C135 H13C . 0.98 ?
C136 C138 . 1.514(7) ?
C136 C160 . 1.527(7) ?
C136 H136 . 1 ?
C137 C140 . 1.380(6) ?
C137 H137 . 0.95 ?
C138 H13D . 0.98 ?
C138 H13E . 0.98 ?
C138 H13F . 0.98 ?
C139 C164 . 1.534(8) ?
C139 H13G . 0.98 ?
C139 H13H . 0.98 ?
C139 H13I . 0.98 ?
C140 H140 . 0.95 ?
C142 C157 . 1.389(6) ?
C142 H142 . 0.95 ?
C143 C162 . 1.401(6) ?
C143 H143 . 0.95 ?
C144 C145 . 1.389(6) ?
C144 H144 . 0.95 ?
C145 H145 . 0.95 ?
C146 C3 . 1.513(8) ?
C146 C2 . 1.543(8) ?
C146 H146 . 1 ?
C147 H14A . 0.98 ?
C147 H14B . 0.98 ?
C147 H14C . 0.98 ?
C148 H148 . 0.95 ?
C149 H149 . 0.95 ?
C150 C162 . 1.376(8) ?
C150 H150 . 0.95 ?
C151 H151 . 0.95 ?
C152 H152 . 0.95 ?
C153 H15A . 0.98 ?
C153 H15B . 0.98 ?
C153 H15C . 0.98 ?
C154 H154 . 0.95 ?
C155 C161 . 1.367(8) ?
C155 H155 . 0.95 ?
C156 H156 . 0.95 ?
C157 H157 . 0.95 ?
C158 C165 . 1.541(7) ?
C158 H158 . 1 ?
C159 H159 . 0.95 ?
C160 H16A . 0.98 ?
C160 H16B . 0.98 ?
C160 H16C . 0.98 ?
C161 H161 . 0.95 ?
C162 H162 . 0.95 ?
C163 H163 . 0.95 ?
C164 C4 . 1.558(8) ?
C164 H164 . 1 ?
C165 H16D . 0.98 ?
C165 H16E . 0.98 ?
C165 H16F . 0.98 ?
C166 C167 . 1.374(8) ?
C166 H166 . 0.95 ?
C167 H167 . 0.95 ?
C169 H16G . 0.98 ?
C169 H16H . 0.98 ?
C169 H16I . 0.98 ?
C4 H4A . 0.98 ?
C4 H4B . 0.98 ?
C4 H4C . 0.98 ?
C1 H1 . 0.95 ?
C50 H50A . 0.98 ?
C50 H50B . 0.98 ?
C50 H50C . 0.98 ?
C2 H2A . 0.98 ?
C2 H2B . 0.98 ?
C2 H2C . 0.98 ?
C3 H3A . 0.98 ?
C3 H3B . 0.98 ?
C3 H3C . 0.98 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C058 Ag1 P1 145.37(9) . . ?
C058 Ag1 P2 135.97(9) . . ?
P1 Ag1 P2 78.61(3) . . ?
C032 Ag2 P4 140.91(9) . . ?
C032 Ag2 P3 139.81(9) . . ?
P4 Ag2 P3 79.21(3) . . ?
C074 P2 C018 104.26(17) . . ?
C074 P2 C069 105.71(16) . . ?
C018 P2 C069 104.97(17) . . ?
C074 P2 Ag1 131.58(12) . . ?
C018 P2 Ag1 103.58(11) . . ?
C069 P2 Ag1 104.27(12) . . ?
C055 P4 C046 105.23(17) . . ?
C055 P4 C029 104.62(17) . . ?
C046 P4 C029 104.39(17) . . ?
C055 P4 Ag2 122.11(12) . . ?
C046 P4 Ag2 112.38(12) . . ?
C029 P4 Ag2 106.55(12) . . ?
C079 P3 C047 104.35(17) . . ?
C079 P3 C048 103.36(16) . . ?
C047 P3 C048 104.18(16) . . ?
C079 P3 Ag2 104.65(11) . . ?
C047 P3 Ag2 131.67(12) . . ?
C048 P3 Ag2 105.63(12) . . ?
C015 P1 C5 106.37(16) . . ?
C015 P1 C012 104.72(17) . . ?
C5 P1 C012 102.22(16) . . ?
C015 P1 Ag1 119.09(12) . . ?
C5 P1 Ag1 117.67(12) . . ?
C012 P1 Ag1 104.62(11) . . ?
C032 N4 C085 111.5(3) . . ?
C032 N4 C022 127.5(3) . . ?
C085 N4 C022 120.9(3) . . ?
C058 N2 C088 112.0(3) . . ?
C058 N2 C040 126.1(3) . . ?
C088 N2 C040 121.9(3) . . ?
C032 N3 C062 112.0(3) . . ?
C032 N3 C050 125.7(3) . . ?
C062 N3 C050 122.3(3) . . ?
C144 C5 C011 118.6(4) . . ?
C144 C5 P1 118.5(3) . . ?
C011 C5 P1 122.9(3) . . ?
C041 C011 C5 120.2(4) . . ?
C041 C011 H011 119.9 . . ?
C5 C011 H011 119.9 . . ?
C117 C012 C018 119.4(3) . . ?
C117 C012 P1 122.1(3) . . ?
C018 C012 P1 118.3(3) . . ?
C058 N1 C121 112.1(3) . . ?
C058 N1 C071 125.8(3) . . ?
C121 N1 C071 121.7(3) . . ?
C159 C014 C074 120.9(4) . . ?
C159 C014 H014 119.5 . . ?
C074 C014 H014 119.5 . . ?
C137 C015 C131 118.3(4) . . ?
C137 C015 P1 124.2(3) . . ?
C131 C015 P1 117.4(3) . . ?
C035 C016 C064 119.8(4) . . ?
C035 C016 H016 120.1 . . ?
C064 C016 H016 120.1 . . ?
C038 C017 C106 119.9(4) . . ?
C038 C017 H017 120 . . ?
C106 C017 H017 120.1 . . ?
C052 C018 C012 118.7(3) . . ?
C052 C018 P2 121.8(3) . . ?
C012 C018 P2 119.5(3) . . ?
C50 C019 C087 111.3(4) . . ?
C50 C019 C020 111.1(4) . . ?
C087 C019 C020 112.0(4) . . ?
C50 C019 H019 107.4 . . ?
C087 C019 H019 107.4 . . ?
C020 C019 H019 107.4 . . ?
C019 C020 H02A 109.5 . . ?
C019 C020 H02B 109.5 . . ?
H02A C020 H02B 109.5 . . ?
C019 C020 H02C 109.5 . . ?
H02A C020 H02C 109.5 . . ?
H02B C020 H02C 109.5 . . ?
C061 C021 C026 123.6(4) . . ?
C061 C021 H021 118.2 . . ?
C026 C021 H021 118.2 . . ?
C086 C022 C093 124.3(4) . . ?
C086 C022 N4 117.1(4) . . ?
C093 C022 N4 118.3(4) . . ?
C054 C023 C047 121.1(4) . . ?
C054 C023 H023 119.5 . . ?
C047 C023 H023 119.5 . . ?
C089 C024 C069 120.1(4) . . ?
C089 C024 H024 120 . . ?
C069 C024 H024 120 . . ?
C111 C025 C036 120.0(4) . . ?
C111 C025 H025 120 . . ?
C036 C025 H025 120 . . ?
C107 C026 C021 113.6(4) . . ?
C107 C026 B200 121.1(3) . . ?
C021 C026 B200 125.3(3) . . ?
C071 C027 C114 117.9(4) . . ?
C071 C027 C076 121.9(4) . . ?
C114 C027 C076 120.2(4) . . ?
C038 C028 C048 119.7(4) . . ?
C038 C028 H028 120.2 . . ?
C048 C028 H028 120.2 . . ?
C034 C029 C079 119.9(3) . . ?
C034 C029 P4 121.3(3) . . ?
C079 C029 P4 118.7(3) . . ?
C065 C030 C157 118.4(4) . . ?
C065 C030 H030 120.8 . . ?
C157 C030 H030 120.8 . . ?
C123 C031 C069 119.7(4) . . ?
C123 C031 H031 120.2 . . ?
C069 C031 H031 120.2 . . ?
N3 C032 N4 103.0(3) . . ?
N3 C032 Ag2 127.5(2) . . ?
N4 C032 Ag2 129.4(3) . . ?
C115 C033 C047 120.2(4) . . ?
C115 C033 H033 119.9 . . ?
C047 C033 H033 119.9 . . ?
C029 C034 C078 120.4(4) . . ?
C029 C034 H034 119.8 . . ?
C078 C034 H034 119.8 . . ?
C016 C035 C051 120.2(4) . . ?
C016 C035 H035 119.9 . . ?
C051 C035 H035 119.9 . . ?
C025 C036 C074 120.1(4) . . ?
C025 C036 H036 120 . . ?
C074 C036 H036 119.9 . . ?
C044 C037 C079 121.3(4) . . ?
C044 C037 H037 119.4 . . ?
C079 C037 H037 119.4 . . ?
C028 C038 C017 120.6(4) . . ?
C028 C038 H038 119.7 . . ?
C017 C038 H038 119.7 . . ?
C056 C039 C095 123.9(4) . . ?
C056 C039 H039 118.1 . . ?
C095 C039 H039 118.1 . . ?
C083 C040 C090 123.2(4) . . ?
C083 C040 N2 119.0(4) . . ?
C090 C040 N2 117.8(4) . . ?
C066 C041 C011 120.1(4) . . ?
C066 C041 H041 120 . . ?
C011 C041 H041 120 . . ?
C094 C042 C105 120.2(4) . . ?
C094 C042 H042 119.9 . . ?
C105 C042 H042 119.9 . . ?
C142 C043 C124 114.6(4) . . ?
C142 C043 B100 122.9(4) . . ?
C124 C043 B100 122.4(4) . . ?
C078 C044 C037 120.6(4) . . ?
C078 C044 H044 119.7 . . ?
C037 C044 H044 119.7 . . ?
C149 C045 C046 120.8(4) . . ?
C149 C045 H045 119.6 . . ?
C046 C045 H045 119.6 . . ?
C096 C046 C045 119.0(4) . . ?
C096 C046 P4 123.1(3) . . ?
C045 C046 P4 117.6(3) . . ?
C033 C047 C023 118.9(3) . . ?
C033 C047 P3 123.2(3) . . ?
C023 C047 P3 117.8(3) . . ?
C028 C048 C068 119.4(4) . . ?
C028 C048 P3 122.8(3) . . ?
C068 C048 P3 117.8(3) . . ?
C132 C049 C061 118.9(4) . . ?
C132 C049 H049 120.6 . . ?
C061 C049 H049 120.6 . . ?
C097 C050 C087 124.1(4) . . ?
C097 C050 N3 118.0(3) . . ?
C087 C050 N3 117.7(3) . . ?
C035 C051 C055 120.1(4) . . ?
C035 C051 H051 119.9 . . ?
C055 C051 H051 119.9 . . ?
C018 C052 C059 121.5(4) . . ?
C018 C052 H052 119.2 . . ?
C059 C052 H052 119.2 . . ?
C080 C053 C100 115.2(4) . . ?
C080 C053 B100 120.4(3) . . ?
C100 C053 B100 124.4(4) . . ?
C151 C054 C023 119.2(4) . . ?
C151 C054 H054 120.4 . . ?
C023 C054 H054 120.4 . . ?
C091 C055 C051 119.3(3) . . ?
C091 C055 P4 118.0(3) . . ?
C051 C055 P4 122.7(3) . . ?
C152 C056 C039 119.6(5) . . ?
C152 C056 H056 120.2 . . ?
C039 C056 H056 120.2 . . ?
C094 C057 C073 120.9(4) . . ?
C094 C057 H057 119.6 . . ?
C073 C057 H057 119.6 . . ?
N2 C058 N1 103.8(3) . . ?
N2 C058 Ag1 127.0(3) . . ?
N1 C058 Ag1 129.3(3) . . ?
C134 C059 C052 119.5(4) . . ?
C134 C059 H059 120.3 . . ?
C052 C059 H059 120.3 . . ?
C113 C060 C127 119.1(4) . . ?
C113 C060 H060 120.5 . . ?
C127 C060 H060 120.5 . . ?
C049 C061 C021 120.1(4) . . ?
C049 C061 H061 119.9 . . ?
C021 C061 H061 119.9 . . ?
C085 C062 N3 106.4(4) . . ?
C085 C062 H062 126.8 . . ?
N3 C062 H062 126.8 . . ?
C169 C063 C090 110.3(4) . . ?
C169 C063 C147 110.0(4) . . ?
C090 C063 C147 112.9(4) . . ?
C169 C063 H063 107.8 . . ?
C090 C063 H063 107.8 . . ?
C147 C063 H063 107.8 . . ?
C091 C064 C016 120.2(4) . . ?
C091 C064 H064 119.9 . . ?
C016 C064 H064 119.9 . . ?
C030 C065 C124 121.0(4) . . ?
C030 C065 H065 119.5 . . ?
C124 C065 H065 119.5 . . ?
C041 C066 C145 120.7(4) . . ?
C041 C066 H066 119.6 . . ?
C145 C066 H066 119.6 . . ?
C073 C067 C105 114.6(4) . . ?
C073 C067 B100 125.4(4) . . ?
C105 C067 B100 120.0(4) . . ?
C106 C068 C048 120.7(4) . . ?
C106 C068 H068 119.6 . . ?
C048 C068 H068 119.6 . . ?
C024 C069 C031 119.6(4) . . ?
C024 C069 P2 123.2(3) . . ?
C031 C069 P2 117.2(3) . . ?
C075 C070 C102 123.2(4) . . ?
C075 C070 H070 118.4 . . ?
C102 C070 H070 118.4 . . ?
C128 C071 C027 123.6(4) . . ?
C128 C071 N1 118.9(4) . . ?
C027 C071 N1 117.4(4) . . ?
C104 C072 C084 123.4(4) . . ?
C104 C072 H072 118.3 . . ?
C084 C072 H072 118.3 . . ?
C057 C073 C067 122.6(4) . . ?
C057 C073 H073 118.7 . . ?
C067 C073 H073 118.7 . . ?
C036 C074 C014 119.2(3) . . ?
C036 C074 P2 122.5(3) . . ?
C014 C074 P2 118.3(3) . . ?
C150 C075 C070 119.5(4) . . ?
C150 C075 H075 120.2 . . ?
C070 C075 H075 120.2 . . ?
C110 C076 C027 112.0(4) . . ?
C110 C076 C153 110.1(4) . . ?
C027 C076 C153 110.6(4) . . ?
C110 C076 H076 108 . . ?
C027 C076 H076 108 . . ?
C153 C076 H076 108 . . ?
C093 C077 C125 114.4(4) . . ?
C093 C077 C122 111.1(3) . . ?
C125 C077 C122 109.5(4) . . ?
C093 C077 H077 107.2 . . ?
C125 C077 H077 107.2 . . ?
C122 C077 H077 107.2 . . ?
C044 C078 C034 119.5(4) . . ?
C044 C078 H078 120.3 . . ?
C034 C078 H078 120.3 . . ?
C037 C079 C029 118.2(3) . . ?
C037 C079 P3 122.0(3) . . ?
C029 C079 P3 119.7(3) . . ?
C053 C080 C127 123.3(4) . . ?
C053 C080 H080 118.3 . . ?
C127 C080 H080 118.3 . . ?
C089 C081 C123 120.1(4) . . ?
C089 C081 H081 119.9 . . ?
C123 C081 H081 119.9 . . ?
C156 C082 C109 120.5(4) . . ?
C156 C082 H082 119.8 . . ?
C109 C082 H082 119.8 . . ?
C166 C083 C040 116.9(4) . . ?
C166 C083 C164 121.1(5) . . ?
C040 C083 C164 122.0(4) . . ?
C092 C084 C072 113.9(4) . . ?
C092 C084 B200 125.3(4) . . ?
C072 C084 B200 120.7(4) . . ?
C062 C085 N4 107.0(3) . . ?
C062 C085 H085 126.5 . . ?
N4 C085 H085 126.5 . . ?
C156 C086 C022 116.1(4) . . ?
C156 C086 C136 121.4(4) . . ?
C022 C086 C136 122.5(4) . . ?
C103 C087 C050 116.1(4) . . ?
C103 C087 C019 121.4(4) . . ?
C050 C087 C019 122.5(4) . . ?
C121 C088 N2 105.6(4) . . ?
C121 C088 H088 127.2 . . ?
N2 C088 H088 127.2 . . ?
C081 C089 C024 120.1(4) . . ?
C081 C089 H089 119.9 . . ?
C024 C089 H089 119.9 . . ?
C130 C090 C040 116.0(4) . . ?
C130 C090 C063 121.9(4) . . ?
C040 C090 C063 122.1(4) . . ?
C064 C091 C055 120.3(4) . . ?
C064 C091 H091 119.8 . . ?
C055 C091 H091 119.8 . . ?
C154 C092 C084 123.0(4) . . ?
C154 C092 H092 118.5 . . ?
C084 C092 H092 118.5 . . ?
C109 C093 C022 116.1(4) . . ?
C109 C093 C077 122.2(4) . . ?
C022 C093 C077 121.7(4) . . ?
C042 C094 C057 118.6(4) . . ?
C042 C094 H094 120.7 . . ?
C057 C094 H094 120.7 . . ?
C039 C095 C126 114.5(4) . . ?
C039 C095 B200 125.1(4) . . ?
C126 C095 B200 120.3(4) . . ?
C046 C096 C148 119.8(4) . . ?
C046 C096 H096 120.1 . . ?
C148 C096 H096 120.1 . . ?
C050 C097 C129 117.1(4) . . ?
C050 C097 C158 121.9(4) . . ?
C129 C097 C158 120.9(4) . . ?
C131 C098 C118 119.5(4) . . ?
C131 C098 H098 120.3 . . ?
C118 C098 H098 120.3 . . ?
C148 C099 C149 120.0(4) . . ?
C148 C099 H099 120 . . ?
C149 C099 H099 120 . . ?
C113 C100 C053 121.8(4) . . ?
C113 C100 H100 119.1 . . ?
C053 C100 H100 119.1 . . ?
C103 C101 C129 121.1(4) . . ?
C103 C101 H101 119.5 . . ?
C129 C101 H101 119.5 . . ?
C143 C102 C070 114.7(4) . . ?
C143 C102 B200 123.0(4) . . ?
C070 C102 B200 122.3(4) . . ?
C101 C103 C087 121.3(4) . . ?
C101 C103 H103 119.4 . . ?
C087 C103 H103 119.4 . . ?
C116 C104 C072 120.1(4) . . ?
C116 C104 H104 119.9 . . ?
C072 C104 H104 119.9 . . ?
C042 C105 C067 123.0(4) . . ?
C042 C105 H105 118.5 . . ?
C067 C105 H105 118.5 . . ?
C068 C106 C017 119.7(4) . . ?
C068 C106 H106 120.2 . . ?
C017 C106 H106 120.2 . . ?
C132 C107 C026 123.3(4) . . ?
C132 C107 H107 118.3 . . ?
C026 C107 H107 118.3 . . ?
C112 C108 C155 122.7(5) . . ?
C112 C108 H108 118.6 . . ?
C155 C108 H108 118.6 . . ?
C082 C109 C093 121.7(4) . . ?
C082 C109 H109 119.1 . . ?
C093 C109 H109 119.1 . . ?
C076 C110 H11A 109.5 . . ?
C076 C110 H11B 109.5 . . ?
H11A C110 H11B 109.5 . . ?
C076 C110 H11C 109.5 . . ?
H11A C110 H11C 109.5 . . ?
H11B C110 H11C 109.5 . . ?
C025 C111 C159 120.3(4) . . ?
C025 C111 H111 119.9 . . ?
C159 C111 H111 119.9 . . ?
C108 C112 C163 114.8(4) . . ?
C108 C112 B100 123.4(4) . . ?
C163 C112 B100 121.8(4) . . ?
C060 C113 C100 121.0(4) . . ?
C060 C113 H113 119.5 . . ?
C100 C113 H113 119.5 . . ?
C120 C114 C027 119.7(5) . . ?
C120 C114 H114 120.1 . . ?
C027 C114 H114 120.1 . . ?
C151 C115 C033 120.3(4) . . ?
C151 C115 H115 119.8 . . ?
C033 C115 H115 119.8 . . ?
C154 C116 C104 118.7(4) . . ?
C154 C116 H116 120.7 . . ?
C104 C116 H116 120.7 . . ?
C134 C117 C012 120.8(3) . . ?
C134 C117 H117 119.6 . . ?
C012 C117 H117 119.6 . . ?
C140 C118 C098 119.6(4) . . ?
C140 C118 H118 120.2 . . ?
C098 C118 H118 120.2 . . ?
C152 C119 C126 120.4(5) . . ?
C152 C119 H119 119.8 . . ?
C126 C119 H119 119.8 . . ?
C114 C120 C1 120.4(5) . . ?
C114 C120 H120 119.8 . . ?
C1 C120 H120 119.8 . . ?
C088 C121 N1 106.6(4) . . ?
C088 C121 H121 126.7 . . ?
N1 C121 H121 126.7 . . ?
C077 C122 H12A 109.5 . . ?
C077 C122 H12B 109.5 . . ?
H12A C122 H12B 109.5 . . ?
C077 C122 H12C 109.5 . . ?
H12A C122 H12C 109.5 . . ?
H12B C122 H12C 109.5 . . ?
C031 C123 C081 120.4(4) . . ?
C031 C123 H123 119.8 . . ?
C081 C123 H123 119.8 . . ?
C065 C124 C043 122.5(4) . . ?
C065 C124 H124 118.7 . . ?
C043 C124 H124 118.7 . . ?
C077 C125 H12D 109.5 . . ?
C077 C125 H12E 109.5 . . ?
H12D C125 H12E 109.5 . . ?
C077 C125 H12F 109.5 . . ?
H12D C125 H12F 109.5 . . ?
H12E C125 H12F 109.5 . . ?
C119 C126 C095 121.6(5) . . ?
C119 C126 H126 119.2 . . ?
C095 C126 H126 119.2 . . ?
C060 C127 C080 119.6(4) . . ?
C060 C127 H127 120.2 . . ?
C080 C127 H127 120.2 . . ?
C1 C128 C071 116.2(4) . . ?
C1 C128 C146 121.8(5) . . ?
C071 C128 C146 122.0(4) . . ?
C101 C129 C097 120.3(4) . . ?
C101 C129 H129 119.9 . . ?
C097 C129 H129 119.9 . . ?
C167 C130 C090 121.9(4) . . ?
C167 C130 H130 119 . . ?
C090 C130 H130 119 . . ?
C098 C131 C015 120.9(4) . . ?
C098 C131 H131 119.6 . . ?
C015 C131 H131 119.6 . . ?
C049 C132 C107 120.6(4) . . ?
C049 C132 H132 119.7 . . ?
C107 C132 H132 119.7 . . ?
C163 C133 C161 120.0(5) . . ?
C163 C133 H133 120 . . ?
C161 C133 H133 120 . . ?
C059 C134 C117 120.1(4) . . ?
C059 C134 H134 120 . . ?
C117 C134 H134 120 . . ?
C158 C135 H13A 109.5 . . ?
C158 C135 H13B 109.5 . . ?
H13A C135 H13B 109.5 . . ?
C158 C135 H13C 109.5 . . ?
H13A C135 H13C 109.5 . . ?
H13B C135 H13C 109.5 . . ?
C086 C136 C138 110.9(4) . . ?
C086 C136 C160 113.0(4) . . ?
C138 C136 C160 110.1(5) . . ?
C086 C136 H136 107.5 . . ?
C138 C136 H136 107.5 . . ?
C160 C136 H136 107.5 . . ?
C015 C137 C140 121.1(4) . . ?
C015 C137 H137 119.4 . . ?
C140 C137 H137 119.4 . . ?
C136 C138 H13D 109.5 . . ?
C136 C138 H13E 109.5 . . ?
H13D C138 H13E 109.5 . . ?
C136 C138 H13F 109.5 . . ?
H13D C138 H13F 109.5 . . ?
H13E C138 H13F 109.5 . . ?
C164 C139 H13G 109.5 . . ?
C164 C139 H13H 109.5 . . ?
H13G C139 H13H 109.5 . . ?
C164 C139 H13I 109.5 . . ?
H13G C139 H13I 109.5 . . ?
H13H C139 H13I 109.5 . . ?
C118 C140 C137 120.7(4) . . ?
C118 C140 H140 119.7 . . ?
C137 C140 H140 119.7 . . ?
C084 B200 C026 108.1(3) . . ?
C084 B200 C095 110.1(3) . . ?
C026 B200 C095 111.3(3) . . ?
C084 B200 C102 110.2(3) . . ?
C026 B200 C102 109.1(3) . . ?
C095 B200 C102 108.1(3) . . ?
C157 C142 C043 122.8(4) . . ?
C157 C142 H142 118.6 . . ?
C043 C142 H142 118.6 . . ?
C102 C143 C162 123.0(5) . . ?
C102 C143 H143 118.5 . . ?
C162 C143 H143 118.5 . . ?
C145 C144 C5 120.9(4) . . ?
C145 C144 H144 119.5 . . ?
C5 C144 H144 119.5 . . ?
C066 C145 C144 119.4(4) . . ?
C066 C145 H145 120.3 . . ?
C144 C145 H145 120.3 . . ?
C3 C146 C128 110.5(5) . . ?
C3 C146 C2 111.9(6) . . ?
C128 C146 C2 111.7(5) . . ?
C3 C146 H146 107.5 . . ?
C128 C146 H146 107.5 . . ?
C2 C146 H146 107.5 . . ?
C063 C147 H14A 109.5 . . ?
C063 C147 H14B 109.5 . . ?
H14A C147 H14B 109.5 . . ?
C063 C147 H14C 109.5 . . ?
H14A C147 H14C 109.5 . . ?
H14B C147 H14C 109.5 . . ?
C099 C148 C096 120.1(4) . . ?
C099 C148 H148 119.9 . . ?
C096 C148 H148 119.9 . . ?
C045 C149 C099 120.2(5) . . ?
C045 C149 H149 119.9 . . ?
C099 C149 H149 119.9 . . ?
C162 C150 C075 119.9(4) . . ?
C162 C150 H150 120.1 . . ?
C075 C150 H150 120.1 . . ?
C054 C151 C115 120.4(4) . . ?
C054 C151 H151 119.8 . . ?
C115 C151 H151 119.8 . . ?
C056 C152 C119 119.8(4) . . ?
C056 C152 H152 120.1 . . ?
C119 C152 H152 120.1 . . ?
C076 C153 H15A 109.5 . . ?
C076 C153 H15B 109.5 . . ?
H15A C153 H15B 109.5 . . ?
C076 C153 H15C 109.5 . . ?
H15A C153 H15C 109.5 . . ?
H15B C153 H15C 109.5 . . ?
C116 C154 C092 120.7(4) . . ?
C116 C154 H154 119.7 . . ?
C092 C154 H154 119.7 . . ?
C161 C155 C108 120.3(5) . . ?
C161 C155 H155 119.8 . . ?
C108 C155 H155 119.8 . . ?
C082 C156 C086 121.2(4) . . ?
C082 C156 H156 119.4 . . ?
C086 C156 H156 119.4 . . ?
C030 C157 C142 120.6(4) . . ?
C030 C157 H157 119.7 . . ?
C142 C157 H157 119.7 . . ?
C097 C158 C135 113.7(4) . . ?
C097 C158 C165 110.1(4) . . ?
C135 C158 C165 110.7(4) . . ?
C097 C158 H158 107.3 . . ?
C135 C158 H158 107.3 . . ?
C165 C158 H158 107.3 . . ?
C014 C159 C111 119.5(4) . . ?
C014 C159 H159 120.2 . . ?
C111 C159 H159 120.2 . . ?
C136 C160 H16A 109.5 . . ?
C136 C160 H16B 109.5 . . ?
H16A C160 H16B 109.5 . . ?
C136 C160 H16C 109.5 . . ?
H16A C160 H16C 109.5 . . ?
H16B C160 H16C 109.5 . . ?
C155 C161 C133 118.9(4) . . ?
C155 C161 H161 120.5 . . ?
C133 C161 H161 120.5 . . ?
C150 C162 C143 119.7(5) . . ?
C150 C162 H162 120.2 . . ?
C143 C162 H162 120.2 . . ?
C133 C163 C112 123.2(4) . . ?
C133 C163 H163 118.4 . . ?
C112 C163 H163 118.4 . . ?
C083 C164 C139 113.4(5) . . ?
C083 C164 C4 112.5(4) . . ?
C139 C164 C4 110.9(5) . . ?
C083 C164 H164 106.5 . . ?
C139 C164 H164 106.5 . . ?
C4 C164 H164 106.5 . . ?
C158 C165 H16D 109.5 . . ?
C158 C165 H16E 109.5 . . ?
H16D C165 H16E 109.5 . . ?
C158 C165 H16F 109.5 . . ?
H16D C165 H16F 109.5 . . ?
H16E C165 H16F 109.5 . . ?
C167 C166 C083 120.6(5) . . ?
C167 C166 H166 119.7 . . ?
C083 C166 H166 119.7 . . ?
C130 C167 C166 121.4(5) . . ?
C130 C167 H167 119.3 . . ?
C166 C167 H167 119.3 . . ?
C043 B100 C112 108.9(3) . . ?
C043 B100 C067 109.5(3) . . ?
C112 B100 C067 110.4(3) . . ?
C043 B100 C053 109.2(3) . . ?
C112 B100 C053 111.4(3) . . ?
C067 B100 C053 107.5(3) . . ?
C063 C169 H16G 109.5 . . ?
C063 C169 H16H 109.5 . . ?
H16G C169 H16H 109.5 . . ?
C063 C169 H16I 109.5 . . ?
H16G C169 H16I 109.5 . . ?
H16H C169 H16I 109.5 . . ?
C164 C4 H4A 109.5 . . ?
C164 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C164 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C128 C1 C120 122.1(5) . . ?
C128 C1 H1 118.9 . . ?
C120 C1 H1 118.9 . . ?
C019 C50 H50A 109.5 . . ?
C019 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C019 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C146 C2 H2A 109.5 . . ?
C146 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C146 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C146 C3 H3A 109.5 . . ?
C146 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C146 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C058 Ag1 P2 C074 23.4(2) . . . . ?
P1 Ag1 P2 C074 -154.46(17) . . . . ?
C058 Ag1 P2 C018 146.93(19) . . . . ?
P1 Ag1 P2 C018 -30.88(12) . . . . ?
C058 Ag1 P2 C069 -103.5(2) . . . . ?
P1 Ag1 P2 C069 78.73(12) . . . . ?
C032 Ag2 P4 C055 36.5(2) . . . . ?
P3 Ag2 P4 C055 -146.62(15) . . . . ?
C032 Ag2 P4 C046 -89.9(2) . . . . ?
P3 Ag2 P4 C046 86.96(13) . . . . ?
C032 Ag2 P4 C029 156.3(2) . . . . ?
P3 Ag2 P4 C029 -26.80(12) . . . . ?
C032 Ag2 P3 C079 -155.42(19) . . . . ?
P4 Ag2 P3 C079 27.63(12) . . . . ?
C032 Ag2 P3 C047 -30.3(2) . . . . ?
P4 Ag2 P3 C047 152.77(18) . . . . ?
C032 Ag2 P3 C048 95.8(2) . . . . ?
P4 Ag2 P3 C048 -81.11(12) . . . . ?
C058 Ag1 P1 C015 -28.2(2) . . . . ?
P2 Ag1 P1 C015 149.15(15) . . . . ?
C058 Ag1 P1 C5 102.8(2) . . . . ?
P2 Ag1 P1 C5 -79.88(13) . . . . ?
C058 Ag1 P1 C012 -144.6(2) . . . . ?
P2 Ag1 P1 C012 32.69(12) . . . . ?
C015 P1 C5 C144 108.6(3) . . . . ?
C012 P1 C5 C144 -141.9(3) . . . . ?
Ag1 P1 C5 C144 -28.0(3) . . . . ?
C015 P1 C5 C011 -75.2(3) . . . . ?
C012 P1 C5 C011 34.4(3) . . . . ?
Ag1 P1 C5 C011 148.3(3) . . . . ?
C144 C5 C011 C041 -0.5(5) . . . . ?
P1 C5 C011 C041 -176.8(3) . . . . ?
C015 P1 C012 C117 27.7(3) . . . . ?
C5 P1 C012 C117 -83.1(3) . . . . ?
Ag1 P1 C012 C117 153.7(3) . . . . ?
C015 P1 C012 C018 -156.8(3) . . . . ?
C5 P1 C012 C018 92.4(3) . . . . ?
Ag1 P1 C012 C018 -30.8(3) . . . . ?
C5 P1 C015 C137 -6.0(4) . . . . ?
C012 P1 C015 C137 -113.8(4) . . . . ?
Ag1 P1 C015 C137 129.8(3) . . . . ?
C5 P1 C015 C131 179.1(3) . . . . ?
C012 P1 C015 C131 71.4(3) . . . . ?
Ag1 P1 C015 C131 -45.1(3) . . . . ?
C117 C012 C018 C052 -1.1(5) . . . . ?
P1 C012 C018 C052 -176.7(3) . . . . ?
C117 C012 C018 P2 179.3(3) . . . . ?
P1 C012 C018 P2 3.7(4) . . . . ?
C074 P2 C018 C052 -14.9(4) . . . . ?
C069 P2 C018 C052 96.0(3) . . . . ?
Ag1 P2 C018 C052 -154.9(3) . . . . ?
C074 P2 C018 C012 164.6(3) . . . . ?
C069 P2 C018 C012 -84.4(3) . . . . ?
Ag1 P2 C018 C012 24.6(3) . . . . ?
C032 N4 C022 C086 -88.3(5) . . . . ?
C085 N4 C022 C086 89.6(4) . . . . ?
C032 N4 C022 C093 97.7(4) . . . . ?
C085 N4 C022 C093 -84.3(5) . . . . ?
C061 C021 C026 C107 0.0(5) . . . . ?
C061 C021 C026 B200 178.9(3) . . . . ?
C055 P4 C029 C034 -26.4(3) . . . . ?
C046 P4 C029 C034 83.9(3) . . . . ?
Ag2 P4 C029 C034 -157.0(3) . . . . ?
C055 P4 C029 C079 152.6(3) . . . . ?
C046 P4 C029 C079 -97.1(3) . . . . ?
Ag2 P4 C029 C079 22.0(3) . . . . ?
C062 N3 C032 N4 -0.7(4) . . . . ?
C050 N3 C032 N4 178.1(3) . . . . ?
C062 N3 C032 Ag2 177.1(3) . . . . ?
C050 N3 C032 Ag2 -4.1(5) . . . . ?
C085 N4 C032 N3 1.4(4) . . . . ?
C022 N4 C032 N3 179.5(4) . . . . ?
C085 N4 C032 Ag2 -176.3(3) . . . . ?
C022 N4 C032 Ag2 1.8(6) . . . . ?
P4 Ag2 C032 N3 130.2(3) . . . . ?
P3 Ag2 C032 N3 -45.0(4) . . . . ?
P4 Ag2 C032 N4 -52.6(4) . . . . ?
P3 Ag2 C032 N4 132.2(3) . . . . ?
C079 C029 C034 C078 0.5(5) . . . . ?
P4 C029 C034 C078 179.5(3) . . . . ?
C064 C016 C035 C051 0.0(6) . . . . ?
C111 C025 C036 C074 0.5(7) . . . . ?
C048 C028 C038 C017 -0.1(6) . . . . ?
C106 C017 C038 C028 -1.1(6) . . . . ?
C058 N2 C040 C083 78.5(5) . . . . ?
C088 N2 C040 C083 -102.6(5) . . . . ?
C058 N2 C040 C090 -102.7(5) . . . . ?
C088 N2 C040 C090 76.3(5) . . . . ?
C5 C011 C041 C066 1.3(6) . . . . ?
C079 C037 C044 C078 0.3(6) . . . . ?
C149 C045 C046 C096 -1.0(6) . . . . ?
C149 C045 C046 P4 -175.5(3) . . . . ?
C055 P4 C046 C096 113.5(3) . . . . ?
C029 P4 C046 C096 3.6(4) . . . . ?
Ag2 P4 C046 C096 -111.5(3) . . . . ?
C055 P4 C046 C045 -72.3(3) . . . . ?
C029 P4 C046 C045 177.8(3) . . . . ?
Ag2 P4 C046 C045 62.8(3) . . . . ?
C115 C033 C047 C023 -0.5(6) . . . . ?
C115 C033 C047 P3 -176.2(3) . . . . ?
C054 C023 C047 C033 1.2(6) . . . . ?
C054 C023 C047 P3 177.1(3) . . . . ?
C079 P3 C047 C033 -114.5(3) . . . . ?
C048 P3 C047 C033 -6.4(4) . . . . ?
Ag2 P3 C047 C033 120.2(3) . . . . ?
C079 P3 C047 C023 69.7(3) . . . . ?
C048 P3 C047 C023 177.8(3) . . . . ?
Ag2 P3 C047 C023 -55.5(4) . . . . ?
C038 C028 C048 C068 0.6(5) . . . . ?
C038 C028 C048 P3 178.9(3) . . . . ?
C079 P3 C048 C028 30.7(3) . . . . ?
C047 P3 C048 C028 -78.2(3) . . . . ?
Ag2 P3 C048 C028 140.3(3) . . . . ?
C079 P3 C048 C068 -150.9(3) . . . . ?
C047 P3 C048 C068 100.2(3) . . . . ?
Ag2 P3 C048 C068 -41.3(3) . . . . ?
C032 N3 C050 C097 -82.1(5) . . . . ?
C062 N3 C050 C097 96.5(4) . . . . ?
C032 N3 C050 C087 101.0(4) . . . . ?
C062 N3 C050 C087 -80.4(5) . . . . ?
C016 C035 C051 C055 0.1(6) . . . . ?
C012 C018 C052 C059 1.2(6) . . . . ?
P2 C018 C052 C059 -179.3(3) . . . . ?
C047 C023 C054 C151 -1.3(7) . . . . ?
C035 C051 C055 C091 -0.1(6) . . . . ?
C035 C051 C055 P4 -178.9(3) . . . . ?
C046 P4 C055 C091 155.2(3) . . . . ?
C029 P4 C055 C091 -95.0(3) . . . . ?
Ag2 P4 C055 C091 25.7(4) . . . . ?
C046 P4 C055 C051 -26.0(4) . . . . ?
C029 P4 C055 C051 83.8(4) . . . . ?
Ag2 P4 C055 C051 -155.5(3) . . . . ?
C095 C039 C056 C152 0.0(7) . . . . ?
C088 N2 C058 N1 0.7(4) . . . . ?
C040 N2 C058 N1 179.7(4) . . . . ?
C088 N2 C058 Ag1 -178.8(3) . . . . ?
C040 N2 C058 Ag1 0.2(6) . . . . ?
C121 N1 C058 N2 -0.5(4) . . . . ?
C071 N1 C058 N2 172.6(3) . . . . ?
C121 N1 C058 Ag1 179.0(3) . . . . ?
C071 N1 C058 Ag1 -7.8(6) . . . . ?
P1 Ag1 C058 N2 -127.5(3) . . . . ?
P2 Ag1 C058 N2 56.3(4) . . . . ?
P1 Ag1 C058 N1 53.1(4) . . . . ?
P2 Ag1 C058 N1 -123.1(3) . . . . ?
C018 C052 C059 C134 -0.7(6) . . . . ?
C132 C049 C061 C021 -1.6(6) . . . . ?
C026 C021 C061 C049 0.9(6) . . . . ?
C032 N3 C062 C085 -0.3(5) . . . . ?
C050 N3 C062 C085 -179.1(4) . . . . ?
C035 C016 C064 C091 -0.2(6) . . . . ?
C157 C030 C065 C124 0.2(6) . . . . ?
C011 C041 C066 C145 -0.7(6) . . . . ?
C028 C048 C068 C106 0.2(6) . . . . ?
P3 C048 C068 C106 -178.3(3) . . . . ?
C089 C024 C069 C031 -0.8(5) . . . . ?
C089 C024 C069 P2 176.7(3) . . . . ?
C123 C031 C069 C024 0.5(5) . . . . ?
C123 C031 C069 P2 -177.2(3) . . . . ?
C074 P2 C069 C024 92.5(3) . . . . ?
C018 P2 C069 C024 -17.4(3) . . . . ?
Ag1 P2 C069 C024 -126.0(3) . . . . ?
C074 P2 C069 C031 -89.9(3) . . . . ?
C018 P2 C069 C031 160.2(3) . . . . ?
Ag1 P2 C069 C031 51.6(3) . . . . ?
C114 C027 C071 C128 -1.0(6) . . . . ?
C076 C027 C071 C128 179.9(4) . . . . ?
C114 C027 C071 N1 -177.2(3) . . . . ?
C076 C027 C071 N1 3.8(5) . . . . ?
C058 N1 C071 C128 95.6(5) . . . . ?
C121 N1 C071 C128 -91.9(5) . . . . ?
C058 N1 C071 C027 -88.0(5) . . . . ?
C121 N1 C071 C027 84.5(5) . . . . ?
C094 C057 C073 C067 0.1(7) . . . . ?
C105 C067 C073 C057 0.0(6) . . . . ?
B100 C067 C073 C057 179.0(4) . . . . ?
C025 C036 C074 C014 -0.4(6) . . . . ?
C025 C036 C074 P2 175.9(3) . . . . ?
C159 C014 C074 C036 -0.9(6) . . . . ?
C159 C014 C074 P2 -177.3(3) . . . . ?
C018 P2 C074 C036 117.3(3) . . . . ?
C069 P2 C074 C036 6.9(4) . . . . ?
Ag1 P2 C074 C036 -119.4(3) . . . . ?
C018 P2 C074 C014 -66.4(3) . . . . ?
C069 P2 C074 C014 -176.8(3) . . . . ?
Ag1 P2 C074 C014 56.9(4) . . . . ?
C102 C070 C075 C150 -0.8(6) . . . . ?
C071 C027 C076 C110 120.2(4) . . . . ?
C114 C027 C076 C110 -58.9(5) . . . . ?
C071 C027 C076 C153 -116.6(4) . . . . ?
C114 C027 C076 C153 64.4(5) . . . . ?
C037 C044 C078 C034 1.3(6) . . . . ?
C029 C034 C078 C044 -1.7(6) . . . . ?
C044 C037 C079 C029 -1.5(5) . . . . ?
C044 C037 C079 P3 177.6(3) . . . . ?
C034 C029 C079 C037 1.1(5) . . . . ?
P4 C029 C079 C037 -177.9(3) . . . . ?
C034 C029 C079 P3 -178.0(3) . . . . ?
P4 C029 C079 P3 3.0(4) . . . . ?
C047 P3 C079 C037 14.3(3) . . . . ?
C048 P3 C079 C037 -94.4(3) . . . . ?
Ag2 P3 C079 C037 155.3(3) . . . . ?
C047 P3 C079 C029 -166.5(3) . . . . ?
C048 P3 C079 C029 84.8(3) . . . . ?
Ag2 P3 C079 C029 -25.6(3) . . . . ?
C100 C053 C080 C127 2.1(6) . . . . ?
B100 C053 C080 C127 -177.3(4) . . . . ?
C090 C040 C083 C166 -3.5(6) . . . . ?
N2 C040 C083 C166 175.3(4) . . . . ?
C090 C040 C083 C164 174.4(4) . . . . ?
N2 C040 C083 C164 -6.8(6) . . . . ?
C104 C072 C084 C092 2.6(6) . . . . ?
C104 C072 C084 B200 -179.8(4) . . . . ?
N3 C062 C085 N4 1.1(5) . . . . ?
C032 N4 C085 C062 -1.6(5) . . . . ?
C022 N4 C085 C062 -179.9(4) . . . . ?
C093 C022 C086 C156 -3.0(6) . . . . ?
N4 C022 C086 C156 -176.5(3) . . . . ?
C093 C022 C086 C136 177.2(4) . . . . ?
N4 C022 C086 C136 3.6(6) . . . . ?
C097 C050 C087 C103 1.6(6) . . . . ?
N3 C050 C087 C103 178.3(4) . . . . ?
C097 C050 C087 C019 179.1(4) . . . . ?
N3 C050 C087 C019 -4.2(6) . . . . ?
C50 C019 C087 C103 84.1(5) . . . . ?
C020 C019 C087 C103 -41.0(6) . . . . ?
C50 C019 C087 C050 -93.3(5) . . . . ?
C020 C019 C087 C050 141.6(4) . . . . ?
C058 N2 C088 C121 -0.6(5) . . . . ?
C040 N2 C088 C121 -179.7(4) . . . . ?
C123 C081 C089 C024 -0.2(6) . . . . ?
C069 C024 C089 C081 0.7(5) . . . . ?
C083 C040 C090 C130 2.4(6) . . . . ?
N2 C040 C090 C130 -176.4(4) . . . . ?
C083 C040 C090 C063 -176.4(4) . . . . ?
N2 C040 C090 C063 4.7(6) . . . . ?
C169 C063 C090 C130 -93.0(5) . . . . ?
C147 C063 C090 C130 30.5(6) . . . . ?
C169 C063 C090 C040 85.8(5) . . . . ?
C147 C063 C090 C040 -150.7(4) . . . . ?
C016 C064 C091 C055 0.2(6) . . . . ?
C051 C055 C091 C064 -0.1(6) . . . . ?
P4 C055 C091 C064 178.8(3) . . . . ?
C072 C084 C092 C154 -0.8(6) . . . . ?
B200 C084 C092 C154 -178.3(4) . . . . ?
C086 C022 C093 C109 2.8(6) . . . . ?
N4 C022 C093 C109 176.3(3) . . . . ?
C086 C022 C093 C077 -178.0(4) . . . . ?
N4 C022 C093 C077 -4.5(5) . . . . ?
C125 C077 C093 C109 -30.0(6) . . . . ?
C122 C077 C093 C109 94.6(5) . . . . ?
C125 C077 C093 C022 150.9(4) . . . . ?
C122 C077 C093 C022 -84.5(5) . . . . ?
C105 C042 C094 C057 -0.5(6) . . . . ?
C073 C057 C094 C042 0.1(7) . . . . ?
C056 C039 C095 C126 4.3(6) . . . . ?
C056 C039 C095 B200 -177.1(4) . . . . ?
C045 C046 C096 C148 0.1(6) . . . . ?
P4 C046 C096 C148 174.2(3) . . . . ?
C087 C050 C097 C129 0.6(6) . . . . ?
N3 C050 C097 C129 -176.1(4) . . . . ?
C087 C050 C097 C158 177.6(4) . . . . ?
N3 C050 C097 C158 0.9(6) . . . . ?
C080 C053 C100 C113 -1.5(6) . . . . ?
B100 C053 C100 C113 177.9(4) . . . . ?
C075 C070 C102 C143 0.2(5) . . . . ?
C075 C070 C102 B200 -179.6(3) . . . . ?
C129 C101 C103 C087 2.0(8) . . . . ?
C050 C087 C103 C101 -2.9(7) . . . . ?
C019 C087 C103 C101 179.6(4) . . . . ?
C084 C072 C104 C116 -1.7(7) . . . . ?
C094 C042 C105 C067 0.6(7) . . . . ?
C073 C067 C105 C042 -0.3(6) . . . . ?
B100 C067 C105 C042 -179.4(4) . . . . ?
C048 C068 C106 C017 -1.4(6) . . . . ?
C038 C017 C106 C068 1.8(6) . . . . ?
C021 C026 C107 C132 -0.3(6) . . . . ?
B200 C026 C107 C132 -179.2(4) . . . . ?
C156 C082 C109 C093 -0.8(7) . . . . ?
C022 C093 C109 C082 -0.9(6) . . . . ?
C077 C093 C109 C082 180.0(4) . . . . ?
C036 C025 C111 C159 0.8(8) . . . . ?
C155 C108 C112 C163 1.5(6) . . . . ?
C155 C108 C112 B100 -178.8(4) . . . . ?
C127 C060 C113 C100 0.8(7) . . . . ?
C053 C100 C113 C060 0.0(7) . . . . ?
C071 C027 C114 C120 1.8(6) . . . . ?
C076 C027 C114 C120 -179.1(4) . . . . ?
C047 C033 C115 C151 0.0(6) . . . . ?
C072 C104 C116 C154 -1.1(7) . . . . ?
C018 C012 C117 C134 0.6(6) . . . . ?
P1 C012 C117 C134 176.0(3) . . . . ?
C131 C098 C118 C140 0.3(7) . . . . ?
C027 C114 C120 C1 -1.3(7) . . . . ?
N2 C088 C121 N1 0.3(5) . . . . ?
C058 N1 C121 C088 0.1(5) . . . . ?
C071 N1 C121 C088 -173.3(4) . . . . ?
C069 C031 C123 C081 0.0(6) . . . . ?
C089 C081 C123 C031 -0.1(6) . . . . ?
C030 C065 C124 C043 0.7(6) . . . . ?
C142 C043 C124 C065 -1.0(6) . . . . ?
B100 C043 C124 C065 -177.9(4) . . . . ?
C152 C119 C126 C095 2.0(8) . . . . ?
C039 C095 C126 C119 -5.3(6) . . . . ?
B200 C095 C126 C119 176.1(4) . . . . ?
C113 C060 C127 C080 -0.2(7) . . . . ?
C053 C080 C127 C060 -1.4(7) . . . . ?
C027 C071 C128 C1 -0.2(6) . . . . ?
N1 C071 C128 C1 175.9(4) . . . . ?
C027 C071 C128 C146 -179.5(4) . . . . ?
N1 C071 C128 C146 -3.4(6) . . . . ?
C103 C101 C129 C097 0.3(7) . . . . ?
C050 C097 C129 C101 -1.6(6) . . . . ?
C158 C097 C129 C101 -178.6(4) . . . . ?
C040 C090 C130 C167 -0.1(7) . . . . ?
C063 C090 C130 C167 178.7(4) . . . . ?
C118 C098 C131 C015 -1.1(7) . . . . ?
C137 C015 C131 C098 1.7(6) . . . . ?
P1 C015 C131 C098 176.9(3) . . . . ?
C061 C049 C132 C107 1.4(6) . . . . ?
C026 C107 C132 C049 -0.4(7) . . . . ?
C052 C059 C134 C117 0.1(6) . . . . ?
C012 C117 C134 C059 0.0(6) . . . . ?
C156 C086 C136 C138 -77.3(5) . . . . ?
C022 C086 C136 C138 102.6(5) . . . . ?
C156 C086 C136 C160 46.9(7) . . . . ?
C022 C086 C136 C160 -133.2(5) . . . . ?
C131 C015 C137 C140 -1.6(7) . . . . ?
P1 C015 C137 C140 -176.4(4) . . . . ?
C098 C118 C140 C137 -0.2(8) . . . . ?
C015 C137 C140 C118 0.9(9) . . . . ?
C092 C084 B200 C026 119.2(4) . . . . ?
C072 C084 B200 C026 -58.1(4) . . . . ?
C092 C084 B200 C095 -119.0(4) . . . . ?
C072 C084 B200 C095 63.6(5) . . . . ?
C092 C084 B200 C102 0.2(5) . . . . ?
C072 C084 B200 C102 -177.2(3) . . . . ?
C107 C026 B200 C084 -33.0(5) . . . . ?
C021 C026 B200 C084 148.2(3) . . . . ?
C107 C026 B200 C095 -153.9(4) . . . . ?
C021 C026 B200 C095 27.2(5) . . . . ?
C107 C026 B200 C102 86.8(4) . . . . ?
C021 C026 B200 C102 -92.0(4) . . . . ?
C039 C095 B200 C084 -3.4(5) . . . . ?
C126 C095 B200 C084 175.1(4) . . . . ?
C039 C095 B200 C026 116.4(4) . . . . ?
C126 C095 B200 C026 -65.1(5) . . . . ?
C039 C095 B200 C102 -123.9(4) . . . . ?
C126 C095 B200 C102 54.7(5) . . . . ?
C143 C102 B200 C084 -91.9(4) . . . . ?
C070 C102 B200 C084 87.9(4) . . . . ?
C143 C102 B200 C026 149.6(4) . . . . ?
C070 C102 B200 C026 -30.6(5) . . . . ?
C143 C102 B200 C095 28.4(5) . . . . ?
C070 C102 B200 C095 -151.8(3) . . . . ?
C124 C043 C142 C157 0.4(6) . . . . ?
B100 C043 C142 C157 177.3(4) . . . . ?
C070 C102 C143 C162 0.3(6) . . . . ?
B200 C102 C143 C162 -179.9(4) . . . . ?
C011 C5 C144 C145 -1.0(5) . . . . ?
P1 C5 C144 C145 175.5(3) . . . . ?
C041 C066 C145 C144 -0.7(6) . . . . ?
C5 C144 C145 C066 1.6(6) . . . . ?
C1 C128 C146 C3 65.9(7) . . . . ?
C071 C128 C146 C3 -114.9(6) . . . . ?
C1 C128 C146 C2 -59.4(7) . . . . ?
C071 C128 C146 C2 119.9(6) . . . . ?
C149 C099 C148 C096 0.4(7) . . . . ?
C046 C096 C148 C099 0.2(6) . . . . ?
C046 C045 C149 C099 1.7(7) . . . . ?
C148 C099 C149 C045 -1.4(7) . . . . ?
C070 C075 C150 C162 0.9(6) . . . . ?
C023 C054 C151 C115 0.8(7) . . . . ?
C033 C115 C151 C054 -0.1(7) . . . . ?
C039 C056 C152 C119 -3.7(7) . . . . ?
C126 C119 C152 C056 2.7(8) . . . . ?
C104 C116 C154 C092 2.9(7) . . . . ?
C084 C092 C154 C116 -1.9(6) . . . . ?
C112 C108 C155 C161 -1.6(7) . . . . ?
C109 C082 C156 C086 0.6(7) . . . . ?
C022 C086 C156 C082 1.1(6) . . . . ?
C136 C086 C156 C082 -179.0(4) . . . . ?
C065 C030 C157 C142 -0.7(7) . . . . ?
C043 C142 C157 C030 0.4(7) . . . . ?
C050 C097 C158 C135 152.0(4) . . . . ?
C129 C097 C158 C135 -31.1(6) . . . . ?
C050 C097 C158 C165 -83.0(5) . . . . ?
C129 C097 C158 C165 93.8(5) . . . . ?
C074 C014 C159 C111 2.1(7) . . . . ?
C025 C111 C159 C014 -2.1(8) . . . . ?
C108 C155 C161 C133 0.1(7) . . . . ?
C163 C133 C161 C155 1.4(7) . . . . ?
C075 C150 C162 C143 -0.4(7) . . . . ?
C102 C143 C162 C150 -0.2(7) . . . . ?
C161 C133 C163 C112 -1.4(7) . . . . ?
C108 C112 C163 C133 0.0(6) . . . . ?
B100 C112 C163 C133 -179.7(4) . . . . ?
C166 C083 C164 C139 18.1(6) . . . . ?
C040 C083 C164 C139 -159.6(4) . . . . ?
C166 C083 C164 C4 -108.8(6) . . . . ?
C040 C083 C164 C4 73.5(6) . . . . ?
C040 C083 C166 C167 2.3(7) . . . . ?
C164 C083 C166 C167 -175.5(4) . . . . ?
C090 C130 C167 C166 -0.9(8) . . . . ?
C083 C166 C167 C130 -0.2(8) . . . . ?
C142 C043 B100 C112 -89.6(4) . . . . ?
C124 C043 B100 C112 87.1(4) . . . . ?
C142 C043 B100 C067 31.2(5) . . . . ?
C124 C043 B100 C067 -152.1(4) . . . . ?
C142 C043 B100 C053 148.6(4) . . . . ?
C124 C043 B100 C053 -34.7(5) . . . . ?
C108 C112 B100 C043 -3.4(5) . . . . ?
C163 C112 B100 C043 176.3(4) . . . . ?
C108 C112 B100 C067 -123.6(4) . . . . ?
C163 C112 B100 C067 56.1(5) . . . . ?
C108 C112 B100 C053 117.1(4) . . . . ?
C163 C112 B100 C053 -63.2(5) . . . . ?
C073 C067 B100 C043 -123.0(4) . . . . ?
C105 C067 B100 C043 56.0(4) . . . . ?
C073 C067 B100 C112 -3.1(5) . . . . ?
C105 C067 B100 C112 175.9(3) . . . . ?
C073 C067 B100 C053 118.5(4) . . . . ?
C105 C067 B100 C053 -62.5(4) . . . . ?
C080 C053 B100 C043 -39.5(5) . . . . ?
C100 C053 B100 C043 141.2(4) . . . . ?
C080 C053 B100 C112 -159.8(4) . . . . ?
C100 C053 B100 C112 20.8(6) . . . . ?
C080 C053 B100 C067 79.2(4) . . . . ?
C100 C053 B100 C067 -100.2(4) . . . . ?
C071 C128 C1 C120 0.8(7) . . . . ?
C146 C128 C1 C120 -179.9(5) . . . . ?
C114 C120 C1 C128 0.0(7) . . . . ?

# The following lines are used to test the character set of files sent by
# network email or other means. They are not part of the CIF data set
# abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ0123456789
# !@#$%^&*()_+{}:"~<>?|\-=[];'`,./

# END of CIF
