#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/53/7105301.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7105301
loop_
_publ_author_name
'Nasser, Nasser'
'Eisler, Dana J'
'Puddephatt, Richard J'
_publ_section_title
;
 A chiral diphosphine as trans-chelate ligand and its relevance to
 catalysis.
;
_journal_issue                   11
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1953
_journal_page_last               1955
_journal_paper_doi               10.1039/b923911a
_journal_volume                  46
_journal_year                    2010
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C44 H40 Ag N2 O2 P2, 2(C3 H6 O), C2 F3 O2 '
_chemical_formula_sum            'C52 H52 Ag F3 N2 O6 P2'
_chemical_formula_weight         1027.77
_chemical_name_systematic
;
?
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 92.44(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.536(4)
_cell_length_b                   14.920(3)
_cell_length_c                   18.883(4)
_cell_measurement_reflns_used    64223
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.03
_cell_measurement_theta_min      1.0
_cell_volume                     4936.2(17)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1997-2001)'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'SHELXTL/PC (Sheldrick, 2001)'
_computing_publication_material  SHELXTL/PC
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Nonius Kappa-CCD'
_diffrn_measurement_method       'φ scans, and ω scans with κ offsets'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0698
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            17399
_diffrn_reflns_theta_full        25.07
_diffrn_reflns_theta_max         25.07
_diffrn_reflns_theta_min         1.55
_exptl_absorpt_coefficient_mu    0.535
_exptl_absorpt_correction_T_max  0.9534
_exptl_absorpt_correction_T_min  0.9337
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'DENZO-SMN (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.383
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_F_000             2120
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.729
_refine_diff_density_min         -1.634
_refine_diff_density_rms         0.249
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.02(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1189
_refine_ls_number_reflns         17399
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.116
_refine_ls_R_factor_all          0.0917
_refine_ls_R_factor_gt           0.0572
_refine_ls_shift/su_max          0.031
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1136P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1510
_refine_ls_wR_factor_ref         0.1889
_reflns_number_gt                13409
_reflns_number_total             17399
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b923911a.txt
_cod_data_source_block           2c
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_Hall     'P 2yb '
_cod_original_sg_symbol_H-M      P2(1)
_cod_database_code               7105301
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.74099(3) -0.11723(4) 0.96529(3) 0.03042(18) Uani 1 1 d . . .
F1 F 0.7015(3) 0.3636(5) 0.7610(4) 0.072(2) Uani 1 1 d . . .
P1 P 0.60460(9) -0.10945(16) 0.96155(10) 0.0248(5) Uani 1 1 d . . .
N1 N 0.6680(3) -0.3942(4) 0.9518(3) 0.0271(15) Uani 1 1 d . . .
H1A H 0.6596 -0.4147 0.9084 0.033 Uiso 1 1 calc R . .
O1 O 0.6480(3) -0.2735(4) 1.0237(3) 0.0317(13) Uani 1 1 d . . .
C1 C 0.5489(4) -0.1947(6) 0.9143(4) 0.029(2) Uani 1 1 d . . .
Ag2 Ag 0.27052(3) 0.12560(4) 0.53598(3) 0.03055(18) Uani 1 1 d . . .
F2 F 0.7307(3) 0.4592(5) 0.6845(3) 0.076(2) Uani 1 1 d . . .
P2 P 0.87250(11) -0.07862(16) 0.95616(12) 0.0286(5) Uani 1 1 d . . .
N2 N 0.8316(3) -0.3607(5) 0.9635(3) 0.0303(16) Uani 1 1 d . . .
H2B H 0.8312 -0.3903 0.9232 0.036 Uiso 1 1 calc R . .
O2 O 0.8663(3) -0.2382(4) 1.0246(3) 0.0449(16) Uani 1 1 d . . .
C2 C 0.4838(4) -0.1721(6) 0.8749(4) 0.0292(19) Uani 1 1 d . . .
H2A H 0.4715 -0.1105 0.8684 0.035 Uiso 1 1 calc R . .
O3 O 0.3609(3) 0.2648(4) 0.4723(3) 0.0311(13) Uani 1 1 d . . .
N3 N 0.3213(3) 0.3836(5) 0.5344(3) 0.0323(15) Uani 1 1 d . . .
H3B H 0.3230 0.4142 0.5743 0.039 Uiso 1 1 calc R . .
F3 F 0.8182(2) 0.3979(4) 0.7464(3) 0.0548(15) Uani 1 1 d . . .
P3 P 0.40604(10) 0.11257(15) 0.54210(11) 0.0252(5) Uani 1 1 d . . .
C3 C 0.4361(4) -0.2358(6) 0.8445(5) 0.0295(19) Uani 1 1 d . . .
H3A H 0.3905 -0.2181 0.8194 0.035 Uiso 1 1 calc R . .
N4 N 0.1576(3) 0.3902(5) 0.5564(4) 0.0376(16) Uani 1 1 d . . .
H4B H 0.1512 0.4129 0.5987 0.045 Uiso 1 1 calc R . .
O4 O 0.1466(3) 0.2616(4) 0.4888(4) 0.0496(17) Uani 1 1 d . . .
F4 F 0.2991(3) 0.6498(4) 0.7327(3) 0.0642(19) Uani 1 1 d . . .
P4 P 0.13774(11) 0.09558(15) 0.54591(12) 0.0301(5) Uani 1 1 d . . .
C4 C 0.4545(4) -0.3256(6) 0.8505(4) 0.0297(19) Uani 1 1 d . . .
H4A H 0.4215 -0.3697 0.8298 0.036 Uiso 1 1 calc R . .
O5 O 0.6748(3) 0.5308(4) 0.8141(3) 0.0414(15) Uani 1 1 d . . .
F5 F 0.1828(2) 0.6352(4) 0.7554(3) 0.0602(16) Uani 1 1 d . . .
C5 C 0.5216(4) -0.3509(6) 0.8872(4) 0.027(2) Uani 1 1 d . . .
H5A H 0.5355 -0.4124 0.8894 0.033 Uiso 1 1 calc R . .
O6 O 0.8030(3) 0.5386(4) 0.8302(3) 0.0448(16) Uani 1 1 d . . .
F6 F 0.2686(4) 0.5575(5) 0.8146(3) 0.0727(19) Uani 1 1 d . . .
C6 C 0.5680(4) -0.2878(6) 0.9204(4) 0.0279(19) Uani 1 1 d . . .
C7 C 0.6337(4) -0.3169(6) 0.9696(4) 0.0245(18) Uani 1 1 d . . .
O7 O 0.3019(3) 0.4852(4) 0.6717(3) 0.0463(16) Uani 1 1 d . . .
C8 C 0.7182(4) -0.4458(5) 0.9999(4) 0.0324(18) Uani 1 1 d . . .
H8A H 0.7345 -0.5003 0.9736 0.039 Uiso 1 1 calc R . .
O8 O 0.1745(3) 0.4815(4) 0.6856(3) 0.0445(16) Uani 1 1 d . . .
C9 C 0.6756(5) -0.4780(6) 1.0641(5) 0.038(2) Uani 1 1 d . . .
H9A H 0.6303 -0.5130 1.0478 0.046 Uiso 1 1 calc R . .
H9B H 0.6578 -0.4255 1.0909 0.046 Uiso 1 1 calc R . .
O9 O 0.2377(8) 0.6921(10) 0.5181(7) 0.144(5) Uani 1 1 d . . .
C10 C 0.7277(5) -0.5369(6) 1.1135(5) 0.044(2) Uani 1 1 d . . .
H10A H 0.7001 -0.5530 1.1564 0.053 Uiso 1 1 calc R . .
H10B H 0.7404 -0.5930 1.0886 0.053 Uiso 1 1 calc R . .
O10 O 0.2612(4) 0.1640(6) 0.6956(5) 0.081(3) Uani 1 1 d . . .
C11 C 0.8006(5) -0.4874(7) 1.1350(5) 0.046(2) Uani 1 1 d . . .
H11A H 0.7881 -0.4351 1.1645 0.055 Uiso 1 1 calc R . .
H11B H 0.8344 -0.5276 1.1639 0.055 Uiso 1 1 calc R . .
O11 O 0.7438(4) -1.1583(6) 0.8122(4) 0.066(2) Uani 1 1 d . . .
C12 C 0.8419(5) -0.4562(7) 1.0713(5) 0.041(2) Uani 1 1 d . . .
H12A H 0.8577 -0.5087 1.0435 0.049 Uiso 1 1 calc R . .
H12B H 0.8885 -0.4230 1.0871 0.049 Uiso 1 1 calc R . .
O12 O 0.7645(7) -1.6763(9) 0.9666(5) 0.116(4) Uani 1 1 d . . .
C13 C 0.7907(4) -0.3952(6) 1.0243(4) 0.0334(19) Uani 1 1 d . . .
H13A H 0.7753 -0.3429 1.0536 0.040 Uiso 1 1 calc R . .
C14 C 0.8692(4) -0.2838(6) 0.9710(5) 0.031(2) Uani 1 1 d . . .
C15 C 0.9157(4) -0.2510(6) 0.9106(4) 0.030(2) Uani 1 1 d . . .
C16 C 0.9547(4) -0.3099(6) 0.8693(5) 0.040(2) Uani 1 1 d . . .
H16A H 0.9485 -0.3726 0.8754 0.048 Uiso 1 1 calc R . .
C17 C 1.0036(5) -0.2772(6) 0.8183(5) 0.045(2) Uani 1 1 d . . .
H17A H 1.0318 -0.3178 0.7908 0.054 Uiso 1 1 calc R . .
C18 C 1.0106(5) -0.1868(7) 0.8083(6) 0.050(3) Uani 1 1 d . . .
H18A H 1.0426 -0.1651 0.7728 0.060 Uiso 1 1 calc R . .
C19 C 0.9717(4) -0.1261(8) 0.8492(4) 0.040(2) Uani 1 1 d . . .
H19A H 0.9772 -0.0635 0.8419 0.048 Uiso 1 1 calc R . .
C20 C 0.9244(4) -0.1584(6) 0.9015(5) 0.031(2) Uani 1 1 d . . .
C21 C 0.5589(4) -0.1011(6) 1.0450(4) 0.032(2) Uani 1 1 d . . .
C22 C 0.4804(4) -0.1182(6) 1.0505(4) 0.0344(18) Uani 1 1 d . . .
H22A H 0.4507 -0.1352 1.0094 0.041 Uiso 1 1 calc R . .
C23 C 0.4464(5) -0.1110(8) 1.1136(6) 0.053(3) Uani 1 1 d . . .
H23A H 0.3944 -0.1272 1.1177 0.063 Uiso 1 1 calc R . .
C24 C 0.4895(6) -0.0791(7) 1.1726(5) 0.053(3) Uani 1 1 d . . .
H24A H 0.4656 -0.0698 1.2162 0.064 Uiso 1 1 calc R . .
C25 C 0.5662(6) -0.0612(7) 1.1678(5) 0.047(2) Uani 1 1 d . . .
H25A H 0.5951 -0.0405 1.2083 0.056 Uiso 1 1 calc R . .
C26 C 0.6009(5) -0.0734(6) 1.1045(4) 0.039(2) Uani 1 1 d . . .
H26A H 0.6540 -0.0626 1.1017 0.047 Uiso 1 1 calc R . .
C27 C 0.5775(4) -0.0083(6) 0.9125(4) 0.0260(19) Uani 1 1 d . . .
C28 C 0.6088(4) 0.0049(6) 0.8466(5) 0.037(2) Uani 1 1 d . . .
H28A H 0.6412 -0.0395 0.8280 0.044 Uiso 1 1 calc R . .
C29 C 0.5927(5) 0.0828(7) 0.8075(5) 0.042(2) Uani 1 1 d . . .
H29A H 0.6144 0.0917 0.7628 0.051 Uiso 1 1 calc R . .
C30 C 0.5453(4) 0.1463(6) 0.8344(5) 0.041(2) Uani 1 1 d . . .
H30A H 0.5335 0.1986 0.8074 0.049 Uiso 1 1 calc R . .
C31 C 0.5146(4) 0.1359(7) 0.8991(5) 0.038(2) Uani 1 1 d . . .
H31A H 0.4828 0.1811 0.9174 0.046 Uiso 1 1 calc R . .
C32 C 0.5304(4) 0.0587(5) 0.9379(5) 0.0292(19) Uani 1 1 d . . .
H32A H 0.5086 0.0512 0.9827 0.035 Uiso 1 1 calc R . .
C33 C 0.9300(4) -0.0661(6) 1.0377(4) 0.0268(18) Uani 1 1 d . . .
C34 C 1.0090(4) -0.0769(5) 1.0400(5) 0.032(2) Uani 1 1 d . . .
H34A H 1.0343 -0.0896 0.9977 0.038 Uiso 1 1 calc R . .
C35 C 1.0502(4) -0.0694(6) 1.1024(5) 0.035(2) Uani 1 1 d . . .
H35A H 1.1041 -0.0759 1.1030 0.042 Uiso 1 1 calc R . .
C36 C 1.0148(5) -0.0527(6) 1.1646(5) 0.037(2) Uani 1 1 d . . .
H36A H 1.0437 -0.0489 1.2082 0.045 Uiso 1 1 calc R . .
C37 C 0.9360(5) -0.0414(7) 1.1628(5) 0.040(2) Uani 1 1 d . . .
H37A H 0.9112 -0.0297 1.2056 0.048 Uiso 1 1 calc R . .
C38 C 0.8941(5) -0.0468(6) 1.1006(4) 0.034(2) Uani 1 1 d . . .
H38A H 0.8405 -0.0376 1.1000 0.041 Uiso 1 1 calc R . .
C39 C 0.8824(4) 0.0303(6) 0.9121(4) 0.031(2) Uani 1 1 d . . .
C40 C 0.9363(4) 0.0943(6) 0.9314(5) 0.037(2) Uani 1 1 d . . .
H40A H 0.9748 0.0804 0.9666 0.045 Uiso 1 1 calc R . .
C41 C 0.9351(5) 0.1782(7) 0.9002(6) 0.045(2) Uani 1 1 d . . .
H41A H 0.9725 0.2213 0.9148 0.054 Uiso 1 1 calc R . .
C42 C 0.8823(5) 0.1999(7) 0.8500(5) 0.045(2) Uani 1 1 d . . .
H42A H 0.8802 0.2587 0.8307 0.054 Uiso 1 1 calc R . .
C43 C 0.8297(5) 0.1338(9) 0.8262(5) 0.053(3) Uani 1 1 d . . .
H43A H 0.7945 0.1469 0.7880 0.063 Uiso 1 1 calc R . .
C44 C 0.8286(5) 0.0505(7) 0.8576(5) 0.044(2) Uani 1 1 d . . .
H44A H 0.7916 0.0073 0.8424 0.052 Uiso 1 1 calc R . .
C45 C 0.4549(4) 0.2049(6) 0.5886(4) 0.0254(19) Uani 1 1 d . . .
C46 C 0.5201(4) 0.1877(6) 0.6332(4) 0.032(2) Uani 1 1 d . . .
H46A H 0.5361 0.1277 0.6422 0.039 Uiso 1 1 calc R . .
C47 C 0.5614(4) 0.2597(6) 0.6643(4) 0.033(2) Uani 1 1 d . . .
H47A H 0.6057 0.2483 0.6935 0.039 Uiso 1 1 calc R . .
C48 C 0.5376(5) 0.3460(6) 0.6523(5) 0.037(2) Uani 1 1 d . . .
H48A H 0.5667 0.3944 0.6719 0.044 Uiso 1 1 calc R . .
C49 C 0.4715(4) 0.3633(6) 0.6120(5) 0.032(2) Uani 1 1 d . . .
H49A H 0.4538 0.4232 0.6068 0.039 Uiso 1 1 calc R . .
C50 C 0.4307(4) 0.2938(6) 0.5789(4) 0.0251(18) Uani 1 1 d . . .
C51 C 0.3679(4) 0.3138(6) 0.5260(5) 0.030(2) Uani 1 1 d . . .
C52 C 0.2675(4) 0.4085(5) 0.4767(4) 0.0334(19) Uani 1 1 d . . .
H52A H 0.2554 0.3537 0.4479 0.040 Uiso 1 1 calc R . .
C53 C 0.3030(5) 0.4789(6) 0.4280(5) 0.039(2) Uani 1 1 d . . .
H53A H 0.3135 0.5346 0.4552 0.047 Uiso 1 1 calc R . .
H53B H 0.3520 0.4560 0.4112 0.047 Uiso 1 1 calc R . .
C54 C 0.2497(5) 0.4998(7) 0.3647(5) 0.055(3) Uani 1 1 d . . .
H54A H 0.2726 0.5473 0.3357 0.066 Uiso 1 1 calc R . .
H54B H 0.2434 0.4455 0.3348 0.066 Uiso 1 1 calc R . .
C55 C 0.1721(5) 0.5305(7) 0.3879(5) 0.056(3) Uani 1 1 d . . .
H55A H 0.1370 0.5367 0.3457 0.067 Uiso 1 1 calc R . .
H55B H 0.1773 0.5901 0.4107 0.067 Uiso 1 1 calc R . .
C56 C 0.1382(5) 0.4640(7) 0.4400(5) 0.046(2) Uani 1 1 d . . .
H56A H 0.0894 0.4882 0.4563 0.055 Uiso 1 1 calc R . .
H56B H 0.1271 0.4067 0.4152 0.055 Uiso 1 1 calc R . .
C57 C 0.1920(4) 0.4461(6) 0.5045(4) 0.0361(19) Uani 1 1 d . . .
H57A H 0.2038 0.5051 0.5275 0.043 Uiso 1 1 calc R . .
C58 C 0.1343(4) 0.3043(7) 0.5442(5) 0.039(2) Uani 1 1 d . . .
C59 C 0.0878(4) 0.2612(6) 0.6001(5) 0.040(2) Uani 1 1 d . . .
C60 C 0.0451(5) 0.3140(8) 0.6454(6) 0.056(3) Uani 1 1 d . . .
H60A H 0.0475 0.3775 0.6429 0.067 Uiso 1 1 calc R . .
C61 C -0.0002(6) 0.2730(8) 0.6932(6) 0.071(4) Uani 1 1 d . . .
H61A H -0.0302 0.3089 0.7229 0.085 Uiso 1 1 calc R . .
C62 C -0.0031(6) 0.1818(7) 0.6993(6) 0.062(3) Uani 1 1 d . . .
H62A H -0.0340 0.1545 0.7334 0.074 Uiso 1 1 calc R . .
C63 C 0.0392(4) 0.1306(8) 0.6556(5) 0.049(2) Uani 1 1 d . . .
H63A H 0.0373 0.0672 0.6599 0.059 Uiso 1 1 calc R . .
C64 C 0.0849(5) 0.1682(7) 0.6050(5) 0.040(2) Uani 1 1 d . . .
C65 C 0.4342(4) 0.0130(6) 0.5940(5) 0.030(2) Uani 1 1 d . . .
C66 C 0.4022(4) 0.0036(6) 0.6607(5) 0.037(2) Uani 1 1 d . . .
H66A H 0.3695 0.0486 0.6780 0.045 Uiso 1 1 calc R . .
C67 C 0.4187(5) -0.0710(7) 0.7002(5) 0.043(2) Uani 1 1 d . . .
H67A H 0.3994 -0.0755 0.7463 0.052 Uiso 1 1 calc R . .
C68 C 0.4629(4) -0.1407(6) 0.6749(5) 0.041(2) Uani 1 1 d . . .
H68A H 0.4717 -0.1933 0.7024 0.050 Uiso 1 1 calc R . .
C69 C 0.4934(5) -0.1321(7) 0.6096(5) 0.040(2) Uani 1 1 d . . .
H69A H 0.5237 -0.1789 0.5915 0.048 Uiso 1 1 calc R . .
C70 C 0.4799(4) -0.0549(6) 0.5699(5) 0.037(2) Uani 1 1 d . . .
H70A H 0.5026 -0.0488 0.5254 0.044 Uiso 1 1 calc R . .
C71 C 0.4565(4) 0.1029(5) 0.4603(4) 0.0234(17) Uani 1 1 d . . .
C72 C 0.4150(4) 0.0837(6) 0.3966(4) 0.035(2) Uani 1 1 d . . .
H72A H 0.3617 0.0727 0.3971 0.042 Uiso 1 1 calc R . .
C73 C 0.4519(5) 0.0809(6) 0.3329(4) 0.036(2) Uani 1 1 d . . .
H73A H 0.4239 0.0696 0.2896 0.043 Uiso 1 1 calc R . .
C74 C 0.5292(5) 0.0947(6) 0.3334(5) 0.038(2) Uani 1 1 d . . .
H74A H 0.5548 0.0913 0.2901 0.046 Uiso 1 1 calc R . .
C75 C 0.5699(4) 0.1131(6) 0.3939(4) 0.0331(19) Uani 1 1 d . . .
H75A H 0.6233 0.1230 0.3924 0.040 Uiso 1 1 calc R . .
C76 C 0.5350(4) 0.1179(6) 0.4585(4) 0.0318(18) Uani 1 1 d . . .
H76A H 0.5641 0.1312 0.5007 0.038 Uiso 1 1 calc R . .
C77 C 0.1286(4) -0.0161(6) 0.5851(5) 0.035(2) Uani 1 1 d . . .
C78 C 0.0756(5) -0.0791(6) 0.5601(5) 0.043(2) Uani 1 1 d . . .
H78A H 0.0418 -0.0647 0.5211 0.051 Uiso 1 1 calc R . .
C79 C 0.0716(6) -0.1621(7) 0.5913(6) 0.051(3) Uani 1 1 d . . .
H79A H 0.0336 -0.2037 0.5754 0.061 Uiso 1 1 calc R . .
C80 C 0.1231(6) -0.1851(7) 0.6459(6) 0.054(3) Uani 1 1 d . . .
H80A H 0.1206 -0.2430 0.6666 0.065 Uiso 1 1 calc R . .
C81 C 0.1768(5) -0.1267(8) 0.6703(5) 0.050(3) Uani 1 1 d . . .
H81A H 0.2121 -0.1429 0.7077 0.060 Uiso 1 1 calc R . .
C82 C 0.1791(5) -0.0424(8) 0.6396(5) 0.050(3) Uani 1 1 d . . .
H82A H 0.2169 -0.0011 0.6565 0.060 Uiso 1 1 calc R . .
C83 C 0.0795(4) 0.0899(6) 0.4650(5) 0.032(2) Uani 1 1 d . . .
C84 C 0.0014(4) 0.1027(5) 0.4642(5) 0.0312(19) Uani 1 1 d . . .
H84A H -0.0227 0.1170 0.5069 0.037 Uiso 1 1 calc R . .
C85 C -0.0421(5) 0.0947(6) 0.4013(5) 0.039(2) Uani 1 1 d . . .
H85A H -0.0956 0.1045 0.4004 0.047 Uiso 1 1 calc R . .
C86 C -0.0065(5) 0.0725(7) 0.3403(5) 0.043(2) Uani 1 1 d . . .
H86A H -0.0367 0.0645 0.2978 0.051 Uiso 1 1 calc R . .
C87 C 0.0712(5) 0.0613(7) 0.3386(5) 0.049(3) Uani 1 1 d . . .
H87A H 0.0947 0.0485 0.2954 0.059 Uiso 1 1 calc R . .
C88 C 0.1144(4) 0.0690(6) 0.4014(5) 0.038(2) Uani 1 1 d . . .
H88A H 0.1681 0.0602 0.4016 0.046 Uiso 1 1 calc R . .
C89 C 0.7489(4) 0.4313(7) 0.7494(5) 0.037(2) Uani 1 1 d . . .
C90 C 0.7414(4) 0.5097(6) 0.8035(5) 0.0307(19) Uani 1 1 d . . .
C91 C 0.2484(4) 0.5866(7) 0.7478(5) 0.043(2) Uani 1 1 d . . .
C92 C 0.2407(5) 0.5092(6) 0.6954(4) 0.034(2) Uani 1 1 d . . .
C93 C 0.3056(8) 0.8267(13) 0.5078(9) 0.124(7) Uani 1 1 d . . .
H93A H 0.3411 0.7989 0.5428 0.186 Uiso 1 1 calc R . .
H93B H 0.2834 0.8806 0.5283 0.186 Uiso 1 1 calc R . .
H93C H 0.3331 0.8430 0.4656 0.186 Uiso 1 1 calc R . .
C94 C 0.2449(10) 0.7632(11) 0.4882(10) 0.104(5) Uani 1 1 d . . .
C95 C 0.1892(8) 0.7938(10) 0.4341(9) 0.100(5) Uani 1 1 d . . .
H95A H 0.1522 0.7459 0.4235 0.151 Uiso 1 1 calc R . .
H95B H 0.2154 0.8094 0.3910 0.151 Uiso 1 1 calc R . .
H95C H 0.1625 0.8467 0.4514 0.151 Uiso 1 1 calc R . .
C96 C 0.3496(8) 0.2428(13) 0.7686(8) 0.129(8) Uani 1 1 d . . .
H96A H 0.3867 0.2099 0.7412 0.193 Uiso 1 1 calc R . .
H96B H 0.3559 0.2263 0.8187 0.193 Uiso 1 1 calc R . .
H96C H 0.3579 0.3074 0.7633 0.193 Uiso 1 1 calc R . .
C97 C 0.2725(7) 0.2201(9) 0.7425(6) 0.067(3) Uani 1 1 d . . .
C98 C 0.2046(8) 0.2630(11) 0.7747(7) 0.102(5) Uani 1 1 d . . .
H98A H 0.1577 0.2424 0.7497 0.153 Uiso 1 1 calc R . .
H98B H 0.2084 0.3283 0.7706 0.153 Uiso 1 1 calc R . .
H98C H 0.2034 0.2464 0.8249 0.153 Uiso 1 1 calc R . .
C99 C 0.6614(6) -1.2408(9) 0.7375(6) 0.076(4) Uani 1 1 d . . .
H99A H 0.6220 -1.2103 0.7639 0.114 Uiso 1 1 calc R . .
H99B H 0.6569 -1.3057 0.7440 0.114 Uiso 1 1 calc R . .
H99C H 0.6547 -1.2263 0.6870 0.114 Uiso 1 1 calc R . .
C100 C 0.7369(5) -1.2110(7) 0.7639(5) 0.043(2) Uani 1 1 d . . .
C101 C 0.8037(6) -1.2499(9) 0.7298(6) 0.071(4) Uani 1 1 d . . .
H01A H 0.8506 -1.2237 0.7508 0.106 Uiso 1 1 calc R . .
H01B H 0.8002 -1.2369 0.6789 0.106 Uiso 1 1 calc R . .
H01C H 0.8044 -1.3150 0.7371 0.106 Uiso 1 1 calc R . .
C102 C 0.7044(8) -1.8142(13) 0.9830(9) 0.128(7) Uani 1 1 d . . .
H02A H 0.6700 -1.7920 0.9446 0.192 Uiso 1 1 calc R . .
H02B H 0.6753 -1.8255 1.0252 0.192 Uiso 1 1 calc R . .
H02C H 0.7284 -1.8700 0.9680 0.192 Uiso 1 1 calc R . .
C103 C 0.7638(7) -1.7467(10) 0.9995(7) 0.068(3) Uani 1 1 d . . .
C104 C 0.8242(7) -1.7626(10) 1.0558(8) 0.089(4) Uani 1 1 d . . .
H04A H 0.8590 -1.7113 1.0583 0.133 Uiso 1 1 calc R . .
H04B H 0.8527 -1.8169 1.0446 0.133 Uiso 1 1 calc R . .
H04C H 0.8005 -1.7702 1.1015 0.133 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
P2 Ag1 P1 162.26(9) . . ?
C21 P1 C1 103.2(4) . . ?
C21 P1 C27 105.7(4) . . ?
C1 P1 C27 102.0(4) . . ?
C21 P1 Ag1 117.3(3) . . ?
C1 P1 Ag1 119.8(2) . . ?
C27 P1 Ag1 107.1(2) . . ?
C7 N1 C8 124.0(7) . . ?
C7 N1 H1A 118.0 . . ?
C8 N1 H1A 118.0 . . ?
C2 C1 C6 117.8(8) . . ?
C2 C1 P1 120.7(7) . . ?
C6 C1 P1 121.4(6) . . ?
P3 Ag2 P4 162.85(8) . . ?
C33 P2 C39 103.5(4) . . ?
C33 P2 C20 105.8(4) . . ?
C39 P2 C20 105.0(4) . . ?
C33 P2 Ag1 117.8(2) . . ?
C39 P2 Ag1 110.8(3) . . ?
C20 P2 Ag1 112.7(3) . . ?
C14 N2 C13 118.4(7) . . ?
C14 N2 H2B 120.8 . . ?
C13 N2 H2B 120.8 . . ?
C3 C2 C1 122.0(8) . . ?
C3 C2 H2A 119.0 . . ?
C1 C2 H2A 119.0 . . ?
C51 N3 C52 119.3(7) . . ?
C51 N3 H3B 120.4 . . ?
C52 N3 H3B 120.4 . . ?
C71 P3 C45 103.5(3) . . ?
C71 P3 C65 105.0(4) . . ?
C45 P3 C65 104.1(4) . . ?
C71 P3 Ag2 119.1(2) . . ?
C45 P3 Ag2 114.1(3) . . ?
C65 P3 Ag2 109.7(2) . . ?
C2 C3 C4 120.1(7) . . ?
C2 C3 H3A 120.0 . . ?
C4 C3 H3A 120.0 . . ?
C58 N4 C57 124.2(8) . . ?
C58 N4 H4B 117.9 . . ?
C57 N4 H4B 117.9 . . ?
C83 P4 C77 104.1(4) . . ?
C83 P4 C64 105.1(4) . . ?
C77 P4 C64 103.7(4) . . ?
C83 P4 Ag2 117.5(3) . . ?
C77 P4 Ag2 107.8(3) . . ?
C64 P4 Ag2 117.2(3) . . ?
C3 C4 C5 119.6(7) . . ?
C3 C4 H4A 120.2 . . ?
C5 C4 H4A 120.2 . . ?
C6 C5 C4 120.7(8) . . ?
C6 C5 H5A 119.6 . . ?
C4 C5 H5A 119.6 . . ?
C5 C6 C1 119.7(7) . . ?
C5 C6 C7 120.2(8) . . ?
C1 C6 C7 119.8(7) . . ?
O1 C7 N1 125.6(7) . . ?
O1 C7 C6 118.9(7) . . ?
N1 C7 C6 115.3(7) . . ?
N1 C8 C9 111.0(6) . . ?
N1 C8 C13 113.5(6) . . ?
C9 C8 C13 110.0(7) . . ?
N1 C8 H8A 107.4 . . ?
C9 C8 H8A 107.4 . . ?
C13 C8 H8A 107.4 . . ?
C8 C9 C10 111.1(6) . . ?
C8 C9 H9A 109.4 . . ?
C10 C9 H9A 109.4 . . ?
C8 C9 H9B 109.4 . . ?
C10 C9 H9B 109.4 . . ?
H9A C9 H9B 108.0 . . ?
C11 C10 C9 110.7(7) . . ?
C11 C10 H10A 109.5 . . ?
C9 C10 H10A 109.5 . . ?
C11 C10 H10B 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 108.1 . . ?
C12 C11 C10 111.5(7) . . ?
C12 C11 H11A 109.3 . . ?
C10 C11 H11A 109.3 . . ?
C12 C11 H11B 109.3 . . ?
C10 C11 H11B 109.3 . . ?
H11A C11 H11B 108.0 . . ?
C11 C12 C13 110.9(7) . . ?
C11 C12 H12A 109.5 . . ?
C13 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C13 C12 H12B 109.5 . . ?
H12A C12 H12B 108.0 . . ?
N2 C13 C12 111.5(6) . . ?
N2 C13 C8 111.2(6) . . ?
C12 C13 C8 109.9(7) . . ?
N2 C13 H13A 108.0 . . ?
C12 C13 H13A 108.0 . . ?
C8 C13 H13A 108.0 . . ?
O2 C14 N2 122.1(8) . . ?
O2 C14 C15 119.1(8) . . ?
N2 C14 C15 118.7(8) . . ?
C16 C15 C20 120.2(8) . . ?
C16 C15 C14 121.1(8) . . ?
C20 C15 C14 118.4(7) . . ?
C15 C16 C17 120.0(9) . . ?
C15 C16 H16A 120.0 . . ?
C17 C16 H16A 120.0 . . ?
C18 C17 C16 119.8(8) . . ?
C18 C17 H17A 120.1 . . ?
C16 C17 H17A 120.1 . . ?
C17 C18 C19 121.2(9) . . ?
C17 C18 H18A 119.4 . . ?
C19 C18 H18A 119.4 . . ?
C18 C19 C20 119.2(10) . . ?
C18 C19 H19A 120.4 . . ?
C20 C19 H19A 120.4 . . ?
C15 C20 C19 119.6(8) . . ?
C15 C20 P2 120.7(6) . . ?
C19 C20 P2 119.7(7) . . ?
C26 C21 C22 119.0(8) . . ?
C26 C21 P1 119.4(6) . . ?
C22 C21 P1 121.6(6) . . ?
C23 C22 C21 121.0(8) . . ?
C23 C22 H22A 119.5 . . ?
C21 C22 H22A 119.5 . . ?
C22 C23 C24 118.8(9) . . ?
C22 C23 H23A 120.6 . . ?
C24 C23 H23A 120.6 . . ?
C25 C24 C23 120.6(9) . . ?
C25 C24 H24A 119.7 . . ?
C23 C24 H24A 119.7 . . ?
C26 C25 C24 119.9(9) . . ?
C26 C25 H25A 120.0 . . ?
C24 C25 H25A 120.0 . . ?
C25 C26 C21 120.4(9) . . ?
C25 C26 H26A 119.8 . . ?
C21 C26 H26A 119.8 . . ?
C28 C27 C32 117.8(8) . . ?
C28 C27 P1 117.8(6) . . ?
C32 C27 P1 124.3(6) . . ?
C27 C28 C29 120.6(8) . . ?
C27 C28 H28A 119.7 . . ?
C29 C28 H28A 119.7 . . ?
C30 C29 C28 119.4(8) . . ?
C30 C29 H29A 120.3 . . ?
C28 C29 H29A 120.3 . . ?
C31 C30 C29 121.4(9) . . ?
C31 C30 H30A 119.3 . . ?
C29 C30 H30A 119.3 . . ?
C30 C31 C32 119.4(8) . . ?
C30 C31 H31A 120.3 . . ?
C32 C31 H31A 120.3 . . ?
C31 C32 C27 121.4(8) . . ?
C31 C32 H32A 119.3 . . ?
C27 C32 H32A 119.3 . . ?
C34 C33 C38 118.7(7) . . ?
C34 C33 P2 122.1(6) . . ?
C38 C33 P2 119.2(6) . . ?
C35 C34 C33 120.5(8) . . ?
C35 C34 H34A 119.7 . . ?
C33 C34 H34A 119.7 . . ?
C34 C35 C36 120.9(7) . . ?
C34 C35 H35A 119.6 . . ?
C36 C35 H35A 119.6 . . ?
C35 C36 C37 119.1(8) . . ?
C35 C36 H36A 120.5 . . ?
C37 C36 H36A 120.5 . . ?
C38 C37 C36 120.9(8) . . ?
C38 C37 H37A 119.6 . . ?
C36 C37 H37A 119.6 . . ?
C37 C38 C33 120.0(8) . . ?
C37 C38 H38A 120.0 . . ?
C33 C38 H38A 120.0 . . ?
C40 C39 C44 118.5(8) . . ?
C40 C39 P2 124.6(7) . . ?
C44 C39 P2 116.8(7) . . ?
C39 C40 C41 121.0(9) . . ?
C39 C40 H40A 119.5 . . ?
C41 C40 H40A 119.5 . . ?
C42 C41 C40 121.3(10) . . ?
C42 C41 H41A 119.4 . . ?
C40 C41 H41A 119.4 . . ?
C41 C42 C43 118.7(10) . . ?
C41 C42 H42A 120.7 . . ?
C43 C42 H42A 120.7 . . ?
C44 C43 C42 121.0(9) . . ?
C44 C43 H43A 119.5 . . ?
C42 C43 H43A 119.5 . . ?
C43 C44 C39 119.3(9) . . ?
C43 C44 H44A 120.3 . . ?
C39 C44 H44A 120.3 . . ?
C50 C45 C46 118.8(7) . . ?
C50 C45 P3 121.1(6) . . ?
C46 C45 P3 120.0(7) . . ?
C47 C46 C45 119.8(8) . . ?
C47 C46 H46A 120.1 . . ?
C45 C46 H46A 120.1 . . ?
C48 C47 C46 120.1(8) . . ?
C48 C47 H47A 120.0 . . ?
C46 C47 H47A 120.0 . . ?
C47 C48 C49 120.5(8) . . ?
C47 C48 H48A 119.8 . . ?
C49 C48 H48A 119.8 . . ?
C48 C49 C50 120.7(8) . . ?
C48 C49 H49A 119.6 . . ?
C50 C49 H49A 119.6 . . ?
C49 C50 C45 119.9(7) . . ?
C49 C50 C51 120.3(8) . . ?
C45 C50 C51 119.3(7) . . ?
O3 C51 N3 120.8(8) . . ?
O3 C51 C50 118.1(7) . . ?
N3 C51 C50 121.1(8) . . ?
N3 C52 C53 110.8(6) . . ?
N3 C52 C57 111.9(6) . . ?
C53 C52 C57 109.1(6) . . ?
N3 C52 H52A 108.3 . . ?
C53 C52 H52A 108.3 . . ?
C57 C52 H52A 108.3 . . ?
C54 C53 C52 111.0(7) . . ?
C54 C53 H53A 109.4 . . ?
C52 C53 H53A 109.4 . . ?
C54 C53 H53B 109.4 . . ?
C52 C53 H53B 109.4 . . ?
H53A C53 H53B 108.0 . . ?
C55 C54 C53 111.3(8) . . ?
C55 C54 H54A 109.4 . . ?
C53 C54 H54A 109.4 . . ?
C55 C54 H54B 109.4 . . ?
C53 C54 H54B 109.4 . . ?
H54A C54 H54B 108.0 . . ?
C54 C55 C56 111.5(7) . . ?
C54 C55 H55A 109.3 . . ?
C56 C55 H55A 109.3 . . ?
C54 C55 H55B 109.3 . . ?
C56 C55 H55B 109.3 . . ?
H55A C55 H55B 108.0 . . ?
C57 C56 C55 112.3(7) . . ?
C57 C56 H56A 109.1 . . ?
C55 C56 H56A 109.1 . . ?
C57 C56 H56B 109.1 . . ?
C55 C56 H56B 109.1 . . ?
H56A C56 H56B 107.9 . . ?
N4 C57 C56 112.4(7) . . ?
N4 C57 C52 114.3(7) . . ?
C56 C57 C52 107.4(7) . . ?
N4 C57 H57A 107.5 . . ?
C56 C57 H57A 107.5 . . ?
C52 C57 H57A 107.5 . . ?
O4 C58 N4 124.0(8) . . ?
O4 C58 C59 119.1(8) . . ?
N4 C58 C59 116.8(8) . . ?
C64 C59 C60 119.9(9) . . ?
C64 C59 C58 119.7(8) . . ?
C60 C59 C58 120.4(9) . . ?
C61 C60 C59 119.3(11) . . ?
C61 C60 H60A 120.3 . . ?
C59 C60 H60A 120.3 . . ?
C62 C61 C60 121.6(10) . . ?
C62 C61 H61A 119.2 . . ?
C60 C61 H61A 119.2 . . ?
C63 C62 C61 118.8(10) . . ?
C63 C62 H62A 120.6 . . ?
C61 C62 H62A 120.6 . . ?
C62 C63 C64 122.2(11) . . ?
C62 C63 H63A 118.9 . . ?
C64 C63 H63A 118.9 . . ?
C63 C64 C59 118.1(9) . . ?
C63 C64 P4 120.0(8) . . ?
C59 C64 P4 121.9(7) . . ?
C70 C65 C66 118.7(8) . . ?
C70 C65 P3 124.4(7) . . ?
C66 C65 P3 116.8(6) . . ?
C67 C66 C65 119.2(8) . . ?
C67 C66 H66A 120.4 . . ?
C65 C66 H66A 120.4 . . ?
C66 C67 C68 122.0(8) . . ?
C66 C67 H67A 119.0 . . ?
C68 C67 H67A 119.0 . . ?
C69 C68 C67 118.8(9) . . ?
C69 C68 H68A 120.6 . . ?
C67 C68 H68A 120.6 . . ?
C68 C69 C70 120.0(8) . . ?
C68 C69 H69A 120.0 . . ?
C70 C69 H69A 120.0 . . ?
C65 C70 C69 121.2(8) . . ?
C65 C70 H70A 119.4 . . ?
C69 C70 H70A 119.4 . . ?
C76 C71 C72 119.0(7) . . ?
C76 C71 P3 121.6(6) . . ?
C72 C71 P3 119.3(5) . . ?
C73 C72 C71 120.2(7) . . ?
C73 C72 H72A 119.9 . . ?
C71 C72 H72A 119.9 . . ?
C74 C73 C72 119.1(8) . . ?
C74 C73 H73A 120.5 . . ?
C72 C73 H73A 120.5 . . ?
C75 C74 C73 121.5(8) . . ?
C75 C74 H74A 119.2 . . ?
C73 C74 H74A 119.2 . . ?
C74 C75 C76 121.2(7) . . ?
C74 C75 H75A 119.4 . . ?
C76 C75 H75A 119.4 . . ?
C75 C76 C71 119.0(7) . . ?
C75 C76 H76A 120.5 . . ?
C71 C76 H76A 120.5 . . ?
C82 C77 C78 117.2(9) . . ?
C82 C77 P4 119.5(7) . . ?
C78 C77 P4 123.2(7) . . ?
C79 C78 C77 120.6(10) . . ?
C79 C78 H78A 119.7 . . ?
C77 C78 H78A 119.7 . . ?
C78 C79 C80 119.9(9) . . ?
C78 C79 H79A 120.0 . . ?
C80 C79 H79A 120.0 . . ?
C81 C80 C79 121.2(10) . . ?
C81 C80 H80A 119.4 . . ?
C79 C80 H80A 119.4 . . ?
C80 C81 C82 118.4(9) . . ?
C80 C81 H81A 120.8 . . ?
C82 C81 H81A 120.8 . . ?
C77 C82 C81 122.6(9) . . ?
C77 C82 H82A 118.7 . . ?
C81 C82 H82A 118.7 . . ?
C84 C83 C88 119.3(8) . . ?
C84 C83 P4 121.8(6) . . ?
C88 C83 P4 118.9(6) . . ?
C83 C84 C85 120.2(8) . . ?
C83 C84 H84A 119.9 . . ?
C85 C84 H84A 119.9 . . ?
C86 C85 C84 119.1(8) . . ?
C86 C85 H85A 120.5 . . ?
C84 C85 H85A 120.4 . . ?
C85 C86 C87 122.4(9) . . ?
C85 C86 H86A 118.8 . . ?
C87 C86 H86A 118.8 . . ?
C86 C87 C88 118.5(9) . . ?
C86 C87 H87A 120.8 . . ?
C88 C87 H87A 120.8 . . ?
C87 C88 C83 120.5(8) . . ?
C87 C88 H88A 119.7 . . ?
C83 C88 H88A 119.7 . . ?
F3 C89 F2 105.5(7) . . ?
F3 C89 F1 107.7(8) . . ?
F2 C89 F1 105.2(8) . . ?
F3 C89 C90 114.6(7) . . ?
F2 C89 C90 110.3(8) . . ?
F1 C89 C90 112.9(7) . . ?
O5 C90 O6 130.9(8) . . ?
O5 C90 C89 113.8(7) . . ?
O6 C90 C89 115.2(7) . . ?
F4 C91 F6 105.8(7) . . ?
F4 C91 F5 102.6(8) . . ?
F6 C91 F5 104.9(7) . . ?
F4 C91 C92 116.0(8) . . ?
F6 C91 C92 111.8(8) . . ?
F5 C91 C92 114.6(7) . . ?
O7 C92 O8 132.3(9) . . ?
O7 C92 C91 113.6(7) . . ?
O8 C92 C91 114.0(7) . . ?
C94 C93 H93A 109.5 . . ?
C94 C93 H93B 109.5 . . ?
H93A C93 H93B 109.5 . . ?
C94 C93 H93C 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
O9 C94 C95 121.5(17) . . ?
O9 C94 C93 122.6(17) . . ?
C95 C94 C93 115.8(16) . . ?
C94 C95 H95A 109.5 . . ?
C94 C95 H95B 109.5 . . ?
H95A C95 H95B 109.5 . . ?
C94 C95 H95C 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
C97 C96 H96A 109.5 . . ?
C97 C96 H96B 109.5 . . ?
H96A C96 H96B 109.5 . . ?
C97 C96 H96C 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
O10 C97 C96 121.3(11) . . ?
O10 C97 C98 118.5(13) . . ?
C96 C97 C98 120.2(13) . . ?
C97 C98 H98A 109.5 . . ?
C97 C98 H98B 109.5 . . ?
H98A C98 H98B 109.5 . . ?
C97 C98 H98C 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
C100 C99 H99A 109.5 . . ?
C100 C99 H99B 109.5 . . ?
H99A C99 H99B 109.5 . . ?
C100 C99 H99C 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
O11 C100 C99 121.0(10) . . ?
O11 C100 C101 122.1(9) . . ?
C99 C100 C101 117.0(10) . . ?
C100 C101 H01A 109.5 . . ?
C100 C101 H01B 109.5 . . ?
H01A C101 H01B 109.5 . . ?
C100 C101 H01C 109.5 . . ?
H01A C101 H01C 109.5 . . ?
H01B C101 H01C 109.5 . . ?
C103 C102 H02A 109.5 . . ?
C103 C102 H02B 109.5 . . ?
H02A C102 H02B 109.5 . . ?
C103 C102 H02C 109.5 . . ?
H02A C102 H02C 109.5 . . ?
H02B C102 H02C 109.5 . . ?
O12 C103 C102 120.2(15) . . ?
O12 C103 C104 118.6(14) . . ?
C102 C103 C104 121.2(16) . . ?
C103 C104 H04A 109.5 . . ?
C103 C104 H04B 109.5 . . ?
H04A C104 H04B 109.5 . . ?
C103 C104 H04C 109.5 . . ?
H04A C104 H04C 109.5 . . ?
H04B C104 H04C 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 P2 2.390(2) . ?
Ag1 P1 2.3926(18) . ?
F1 C89 1.333(11) . ?
P1 C21 1.803(8) . ?
P1 C1 1.816(9) . ?
P1 C27 1.823(9) . ?
N1 C7 1.350(10) . ?
N1 C8 1.458(10) . ?
N1 H1A 0.8800 . ?
O1 C7 1.227(9) . ?
C1 C2 1.378(11) . ?
C1 C6 1.432(12) . ?
Ag2 P3 2.3823(18) . ?
Ag2 P4 2.386(2) . ?
F2 C89 1.321(11) . ?
P2 C33 1.814(8) . ?
P2 C39 1.837(9) . ?
P2 C20 1.840(8) . ?
N2 C14 1.328(10) . ?
N2 C13 1.473(10) . ?
N2 H2B 0.8800 . ?
O2 C14 1.222(10) . ?
C2 C3 1.375(11) . ?
C2 H2A 0.9500 . ?
O3 C51 1.251(10) . ?
N3 C51 1.337(11) . ?
N3 C52 1.458(10) . ?
N3 H3B 0.8800 . ?
F3 C89 1.316(9) . ?
P3 C71 1.818(7) . ?
P3 C45 1.827(8) . ?
P3 C65 1.836(9) . ?
C3 C4 1.380(12) . ?
C3 H3A 0.9500 . ?
N4 C58 1.362(12) . ?
N4 C57 1.438(10) . ?
N4 H4B 0.8800 . ?
O4 C58 1.252(11) . ?
F4 C91 1.336(11) . ?
P4 C83 1.804(9) . ?
P4 C77 1.833(10) . ?
P4 C64 1.834(9) . ?
C4 C5 1.392(10) . ?
C4 H4A 0.9500 . ?
O5 C90 1.235(9) . ?
F5 C91 1.373(10) . ?
C5 C6 1.378(11) . ?
C5 H5A 0.9500 . ?
O6 C90 1.248(9) . ?
F6 C91 1.367(11) . ?
C6 C7 1.514(10) . ?
O7 C92 1.234(10) . ?
C8 C9 1.529(11) . ?
C8 C13 1.534(11) . ?
C8 H8A 1.0000 . ?
O8 C92 1.239(10) . ?
C9 C10 1.550(11) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
O9 C94 1.21(2) . ?
C10 C11 1.516(12) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
O10 C97 1.228(14) . ?
C11 C12 1.505(12) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
O11 C100 1.207(11) . ?
C12 C13 1.533(11) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
O12 C103 1.221(16) . ?
C13 H13A 1.0000 . ?
C14 C15 1.513(12) . ?
C15 C16 1.374(12) . ?
C15 C20 1.401(12) . ?
C16 C17 1.405(12) . ?
C16 H16A 0.9500 . ?
C17 C18 1.369(14) . ?
C17 H17A 0.9500 . ?
C18 C19 1.387(13) . ?
C18 H18A 0.9500 . ?
C19 C20 1.403(12) . ?
C19 H19A 0.9500 . ?
C21 C26 1.380(12) . ?
C21 C22 1.409(11) . ?
C22 C23 1.360(12) . ?
C22 H22A 0.9500 . ?
C23 C24 1.401(15) . ?
C23 H23A 0.9500 . ?
C24 C25 1.377(14) . ?
C24 H24A 0.9500 . ?
C25 C26 1.377(13) . ?
C25 H25A 0.9500 . ?
C26 H26A 0.9500 . ?
C27 C28 1.396(12) . ?
C27 C32 1.395(11) . ?
C28 C29 1.400(12) . ?
C28 H28A 0.9500 . ?
C29 C30 1.371(13) . ?
C29 H29A 0.9500 . ?
C30 C31 1.365(12) . ?
C30 H30A 0.9500 . ?
C31 C32 1.387(12) . ?
C31 H31A 0.9500 . ?
C32 H32A 0.9500 . ?
C33 C34 1.394(10) . ?
C33 C38 1.399(11) . ?
C34 C35 1.360(12) . ?
C34 H34A 0.9500 . ?
C35 C36 1.374(13) . ?
C35 H35A 0.9500 . ?
C36 C37 1.390(12) . ?
C36 H36A 0.9500 . ?
C37 C38 1.362(12) . ?
C37 H37A 0.9500 . ?
C38 H38A 0.9500 . ?
C39 C40 1.382(12) . ?
C39 C44 1.399(12) . ?
C40 C41 1.384(13) . ?
C40 H40A 0.9500 . ?
C41 C42 1.336(13) . ?
C41 H41A 0.9500 . ?
C42 C43 1.411(14) . ?
C42 H42A 0.9500 . ?
C43 C44 1.377(15) . ?
C43 H43A 0.9500 . ?
C44 H44A 0.9500 . ?
C45 C50 1.403(12) . ?
C45 C46 1.415(11) . ?
C46 C47 1.409(12) . ?
C46 H46A 0.9500 . ?
C47 C48 1.370(13) . ?
C47 H47A 0.9500 . ?
C48 C49 1.384(12) . ?
C48 H48A 0.9500 . ?
C49 C50 1.393(12) . ?
C49 H49A 0.9500 . ?
C50 C51 1.486(11) . ?
C52 C53 1.544(11) . ?
C52 C57 1.551(11) . ?
C52 H52A 1.0000 . ?
C53 C54 1.517(12) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 C55 1.519(13) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 C56 1.536(13) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C56 C57 1.533(12) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C57 H57A 1.0000 . ?
C58 C59 1.505(13) . ?
C59 C64 1.391(13) . ?
C59 C60 1.403(13) . ?
C60 C61 1.371(15) . ?
C60 H60A 0.9500 . ?
C61 C62 1.366(16) . ?
C61 H61A 0.9500 . ?
C62 C63 1.368(13) . ?
C62 H62A 0.9500 . ?
C63 C64 1.391(13) . ?
C63 H63A 0.9500 . ?
C65 C70 1.382(12) . ?
C65 C66 1.407(12) . ?
C66 C67 1.364(13) . ?
C66 H66A 0.9500 . ?
C67 C68 1.394(12) . ?
C67 H67A 0.9500 . ?
C68 C69 1.370(12) . ?
C68 H68A 0.9500 . ?
C69 C70 1.389(13) . ?
C69 H69A 0.9500 . ?
C70 H70A 0.9500 . ?
C71 C76 1.396(10) . ?
C71 C72 1.409(11) . ?
C72 C73 1.390(12) . ?
C72 H72A 0.9500 . ?
C73 C74 1.372(12) . ?
C73 H73A 0.9500 . ?
C74 C75 1.350(12) . ?
C74 H74A 0.9500 . ?
C75 C76 1.389(10) . ?
C75 H75A 0.9500 . ?
C76 H76A 0.9500 . ?
C77 C82 1.386(13) . ?
C77 C78 1.391(13) . ?
C78 C79 1.374(13) . ?
C78 H78A 0.9500 . ?
C79 C80 1.384(14) . ?
C79 H79A 0.9500 . ?
C80 C81 1.349(15) . ?
C80 H80A 0.9500 . ?
C81 C82 1.386(15) . ?
C81 H81A 0.9500 . ?
C82 H82A 0.9500 . ?
C83 C84 1.383(10) . ?
C83 C88 1.404(11) . ?
C84 C85 1.390(12) . ?
C84 H84A 0.9500 . ?
C85 C86 1.372(13) . ?
C85 H85A 0.9500 . ?
C86 C87 1.375(12) . ?
C86 H86A 0.9500 . ?
C87 C88 1.385(12) . ?
C87 H87A 0.9500 . ?
C88 H88A 0.9500 . ?
C89 C90 1.562(13) . ?
C91 C92 1.522(13) . ?
C93 C94 1.46(2) . ?
C93 H93A 0.9800 . ?
C93 H93B 0.9800 . ?
C93 H93C 0.9800 . ?
C94 C95 1.46(2) . ?
C95 H95A 0.9800 . ?
C95 H95B 0.9800 . ?
C95 H95C 0.9800 . ?
C96 C97 1.459(17) . ?
C96 H96A 0.9800 . ?
C96 H96B 0.9800 . ?
C96 H96C 0.9800 . ?
C97 C98 1.503(16) . ?
C98 H98A 0.9800 . ?
C98 H98B 0.9800 . ?
C98 H98C 0.9800 . ?
C99 C100 1.465(13) . ?
C99 H99A 0.9800 . ?
C99 H99B 0.9800 . ?
C99 H99C 0.9800 . ?
C100 C101 1.479(14) . ?
C101 H01A 0.9800 . ?
C101 H01B 0.9800 . ?
C101 H01C 0.9800 . ?
C102 C103 1.474(19) . ?
C102 H02A 0.9800 . ?
C102 H02B 0.9800 . ?
C102 H02C 0.9800 . ?
C103 C104 1.486(17) . ?
C104 H04A 0.9800 . ?
C104 H04B 0.9800 . ?
C104 H04C 0.9800 . ?
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
P2 Ag1 P1 C21 -106.2(4) . . . . ?
P2 Ag1 P1 C1 127.5(4) . . . . ?
P2 Ag1 P1 C27 12.3(4) . . . . ?
C21 P1 C1 C2 86.7(7) . . . . ?
C27 P1 C1 C2 -22.9(8) . . . . ?
Ag1 P1 C1 C2 -140.7(6) . . . . ?
C21 P1 C1 C6 -89.3(7) . . . . ?
C27 P1 C1 C6 161.2(7) . . . . ?
Ag1 P1 C1 C6 43.3(8) . . . . ?
P1 Ag1 P2 C33 110.5(4) . . . . ?
P1 Ag1 P2 C39 -8.4(4) . . . . ?
P1 Ag1 P2 C20 -125.8(4) . . . . ?
C6 C1 C2 C3 2.9(13) . . . . ?
P1 C1 C2 C3 -173.2(6) . . . . ?
P4 Ag2 P3 C71 112.7(4) . . . . ?
P4 Ag2 P3 C45 -124.6(4) . . . . ?
P4 Ag2 P3 C65 -8.3(4) . . . . ?
C1 C2 C3 C4 -2.8(13) . . . . ?
P3 Ag2 P4 C83 -118.3(4) . . . . ?
P3 Ag2 P4 C77 -1.3(4) . . . . ?
P3 Ag2 P4 C64 115.0(4) . . . . ?
C2 C3 C4 C5 -0.3(13) . . . . ?
C3 C4 C5 C6 3.1(12) . . . . ?
C4 C5 C6 C1 -2.9(12) . . . . ?
C4 C5 C6 C7 170.3(7) . . . . ?
C2 C1 C6 C5 0.0(12) . . . . ?
P1 C1 C6 C5 176.0(6) . . . . ?
C2 C1 C6 C7 -173.3(7) . . . . ?
P1 C1 C6 C7 2.8(11) . . . . ?
C8 N1 C7 O1 10.9(12) . . . . ?
C8 N1 C7 C6 -163.6(7) . . . . ?
C5 C6 C7 O1 -141.5(8) . . . . ?
C1 C6 C7 O1 31.7(11) . . . . ?
C5 C6 C7 N1 33.4(11) . . . . ?
C1 C6 C7 N1 -153.4(7) . . . . ?
C7 N1 C8 C9 61.6(10) . . . . ?
C7 N1 C8 C13 -62.9(9) . . . . ?
N1 C8 C9 C10 177.2(7) . . . . ?
C13 C8 C9 C10 -56.4(9) . . . . ?
C8 C9 C10 C11 54.9(10) . . . . ?
C9 C10 C11 C12 -55.4(10) . . . . ?
C10 C11 C12 C13 57.8(10) . . . . ?
C14 N2 C13 C12 -90.1(9) . . . . ?
C14 N2 C13 C8 146.9(7) . . . . ?
C11 C12 C13 N2 177.4(7) . . . . ?
C11 C12 C13 C8 -58.9(10) . . . . ?
N1 C8 C13 N2 -53.0(9) . . . . ?
C9 C8 C13 N2 -178.0(6) . . . . ?
N1 C8 C13 C12 -177.0(7) . . . . ?
C9 C8 C13 C12 58.0(9) . . . . ?
C13 N2 C14 O2 -5.3(11) . . . . ?
C13 N2 C14 C15 175.9(6) . . . . ?
O2 C14 C15 C16 144.9(8) . . . . ?
N2 C14 C15 C16 -36.3(11) . . . . ?
O2 C14 C15 C20 -29.0(11) . . . . ?
N2 C14 C15 C20 149.7(7) . . . . ?
C20 C15 C16 C17 0.4(12) . . . . ?
C14 C15 C16 C17 -173.5(8) . . . . ?
C15 C16 C17 C18 -2.0(14) . . . . ?
C16 C17 C18 C19 1.9(15) . . . . ?
C17 C18 C19 C20 -0.2(14) . . . . ?
C16 C15 C20 C19 1.3(12) . . . . ?
C14 C15 C20 C19 175.3(7) . . . . ?
C16 C15 C20 P2 179.9(6) . . . . ?
C14 C15 C20 P2 -6.1(10) . . . . ?
C18 C19 C20 C15 -1.4(12) . . . . ?
C18 C19 C20 P2 180.0(7) . . . . ?
C33 P2 C20 C15 84.3(7) . . . . ?
C39 P2 C20 C15 -166.6(7) . . . . ?
Ag1 P2 C20 C15 -45.8(7) . . . . ?
C33 P2 C20 C19 -97.1(7) . . . . ?
C39 P2 C20 C19 12.0(7) . . . . ?
Ag1 P2 C20 C19 132.8(6) . . . . ?
C1 P1 C21 C26 152.9(7) . . . . ?
C27 P1 C21 C26 -100.4(7) . . . . ?
Ag1 P1 C21 C26 18.9(8) . . . . ?
C1 P1 C21 C22 -30.0(8) . . . . ?
C27 P1 C21 C22 76.7(8) . . . . ?
Ag1 P1 C21 C22 -164.0(6) . . . . ?
C26 C21 C22 C23 -2.3(14) . . . . ?
P1 C21 C22 C23 -179.5(8) . . . . ?
C21 C22 C23 C24 5.0(15) . . . . ?
C22 C23 C24 C25 -4.4(15) . . . . ?
C23 C24 C25 C26 0.9(15) . . . . ?
C24 C25 C26 C21 1.8(14) . . . . ?
C22 C21 C26 C25 -1.2(13) . . . . ?
P1 C21 C26 C25 176.0(7) . . . . ?
C21 P1 C27 C28 176.7(6) . . . . ?
C1 P1 C27 C28 -75.7(7) . . . . ?
Ag1 P1 C27 C28 50.9(7) . . . . ?
C21 P1 C27 C32 -0.4(8) . . . . ?
C1 P1 C27 C32 107.2(7) . . . . ?
Ag1 P1 C27 C32 -126.1(6) . . . . ?
C32 C27 C28 C29 -0.2(12) . . . . ?
P1 C27 C28 C29 -177.4(7) . . . . ?
C27 C28 C29 C30 -0.5(13) . . . . ?
C28 C29 C30 C31 1.4(14) . . . . ?
C29 C30 C31 C32 -1.4(13) . . . . ?
C30 C31 C32 C27 0.6(13) . . . . ?
C28 C27 C32 C31 0.1(12) . . . . ?
P1 C27 C32 C31 177.2(6) . . . . ?
C39 P2 C33 C34 -81.6(8) . . . . ?
C20 P2 C33 C34 28.6(8) . . . . ?
Ag1 P2 C33 C34 155.7(6) . . . . ?
C39 P2 C33 C38 99.7(7) . . . . ?
C20 P2 C33 C38 -150.1(7) . . . . ?
Ag1 P2 C33 C38 -23.0(8) . . . . ?
C38 C33 C34 C35 0.5(12) . . . . ?
P2 C33 C34 C35 -178.2(7) . . . . ?
C33 C34 C35 C36 1.1(13) . . . . ?
C34 C35 C36 C37 -1.5(14) . . . . ?
C35 C36 C37 C38 0.1(14) . . . . ?
C36 C37 C38 C33 1.5(14) . . . . ?
C34 C33 C38 C37 -1.8(13) . . . . ?
P2 C33 C38 C37 177.0(7) . . . . ?
C33 P2 C39 C40 13.6(8) . . . . ?
C20 P2 C39 C40 -97.1(8) . . . . ?
Ag1 P2 C39 C40 140.9(7) . . . . ?
C33 P2 C39 C44 -162.9(7) . . . . ?
C20 P2 C39 C44 86.3(7) . . . . ?
Ag1 P2 C39 C44 -35.6(8) . . . . ?
C44 C39 C40 C41 3.2(13) . . . . ?
P2 C39 C40 C41 -173.3(7) . . . . ?
C39 C40 C41 C42 -0.7(14) . . . . ?
C40 C41 C42 C43 -3.4(15) . . . . ?
C41 C42 C43 C44 5.0(15) . . . . ?
C42 C43 C44 C39 -2.5(15) . . . . ?
C40 C39 C44 C43 -1.6(14) . . . . ?
P2 C39 C44 C43 175.2(7) . . . . ?
C71 P3 C45 C50 90.0(7) . . . . ?
C65 P3 C45 C50 -160.4(6) . . . . ?
Ag2 P3 C45 C50 -40.9(7) . . . . ?
C71 P3 C45 C46 -87.6(7) . . . . ?
C65 P3 C45 C46 22.0(7) . . . . ?
Ag2 P3 C45 C46 141.5(6) . . . . ?
C50 C45 C46 C47 -2.9(12) . . . . ?
P3 C45 C46 C47 174.7(6) . . . . ?
C45 C46 C47 C48 1.2(13) . . . . ?
C46 C47 C48 C49 2.4(13) . . . . ?
C47 C48 C49 C50 -4.3(13) . . . . ?
C48 C49 C50 C45 2.5(12) . . . . ?
C48 C49 C50 C51 -169.5(7) . . . . ?
C46 C45 C50 C49 1.1(11) . . . . ?
P3 C45 C50 C49 -176.5(6) . . . . ?
C46 C45 C50 C51 173.1(7) . . . . ?
P3 C45 C50 C51 -4.5(10) . . . . ?
C52 N3 C51 O3 -6.9(11) . . . . ?
C52 N3 C51 C50 171.3(7) . . . . ?
C49 C50 C51 O3 141.0(8) . . . . ?
C45 C50 C51 O3 -31.1(11) . . . . ?
C49 C50 C51 N3 -37.2(11) . . . . ?
C45 C50 C51 N3 150.7(7) . . . . ?
C51 N3 C52 C53 -91.6(9) . . . . ?
C51 N3 C52 C57 146.4(7) . . . . ?
N3 C52 C53 C54 175.6(8) . . . . ?
C57 C52 C53 C54 -60.8(10) . . . . ?
C52 C53 C54 C55 56.1(11) . . . . ?
C53 C54 C55 C56 -52.5(12) . . . . ?
C54 C55 C56 C57 55.2(11) . . . . ?
C58 N4 C57 C56 62.4(10) . . . . ?
C58 N4 C57 C52 -60.3(10) . . . . ?
C55 C56 C57 N4 174.8(8) . . . . ?
C55 C56 C57 C52 -58.7(10) . . . . ?
N3 C52 C57 N4 -50.9(9) . . . . ?
C53 C52 C57 N4 -173.9(7) . . . . ?
N3 C52 C57 C56 -176.3(7) . . . . ?
C53 C52 C57 C56 60.7(9) . . . . ?
C57 N4 C58 O4 6.9(13) . . . . ?
C57 N4 C58 C59 -170.1(7) . . . . ?
O4 C58 C59 C64 25.5(13) . . . . ?
N4 C58 C59 C64 -157.3(8) . . . . ?
O4 C58 C59 C60 -151.9(9) . . . . ?
N4 C58 C59 C60 25.3(13) . . . . ?
C64 C59 C60 C61 -1.1(15) . . . . ?
C58 C59 C60 C61 176.3(9) . . . . ?
C59 C60 C61 C62 1.8(18) . . . . ?
C60 C61 C62 C63 -1.2(19) . . . . ?
C61 C62 C63 C64 -0.2(17) . . . . ?
C62 C63 C64 C59 0.9(15) . . . . ?
C62 C63 C64 P4 -177.9(8) . . . . ?
C60 C59 C64 C63 -0.2(14) . . . . ?
C58 C59 C64 C63 -177.7(8) . . . . ?
C60 C59 C64 P4 178.5(7) . . . . ?
C58 C59 C64 P4 1.1(13) . . . . ?
C83 P4 C64 C63 97.6(8) . . . . ?
C77 P4 C64 C63 -11.4(8) . . . . ?
Ag2 P4 C64 C63 -129.9(7) . . . . ?
C83 P4 C64 C59 -81.2(8) . . . . ?
C77 P4 C64 C59 169.9(8) . . . . ?
Ag2 P4 C64 C59 51.3(9) . . . . ?
C71 P3 C65 C70 -4.1(8) . . . . ?
C45 P3 C65 C70 -112.5(7) . . . . ?
Ag2 P3 C65 C70 125.0(7) . . . . ?
C71 P3 C65 C66 -179.6(7) . . . . ?
C45 P3 C65 C66 72.0(7) . . . . ?
Ag2 P3 C65 C66 -50.5(7) . . . . ?
C70 C65 C66 C67 1.6(13) . . . . ?
P3 C65 C66 C67 177.3(7) . . . . ?
C65 C66 C67 C68 -3.7(14) . . . . ?
C66 C67 C68 C69 2.9(14) . . . . ?
C67 C68 C69 C70 -0.1(13) . . . . ?
C66 C65 C70 C69 1.2(13) . . . . ?
P3 C65 C70 C69 -174.2(7) . . . . ?
C68 C69 C70 C65 -2.0(13) . . . . ?
C45 P3 C71 C76 35.5(8) . . . . ?
C65 P3 C71 C76 -73.4(8) . . . . ?
Ag2 P3 C71 C76 163.4(6) . . . . ?
C45 P3 C71 C72 -141.5(7) . . . . ?
C65 P3 C71 C72 109.6(7) . . . . ?
Ag2 P3 C71 C72 -13.7(8) . . . . ?
C76 C71 C72 C73 -0.7(12) . . . . ?
P3 C71 C72 C73 176.4(6) . . . . ?
C71 C72 C73 C74 1.7(13) . . . . ?
C72 C73 C74 C75 -1.7(13) . . . . ?
C73 C74 C75 C76 0.7(14) . . . . ?
C74 C75 C76 C71 0.4(14) . . . . ?
C72 C71 C76 C75 -0.3(12) . . . . ?
P3 C71 C76 C75 -177.4(7) . . . . ?
C83 P4 C77 C82 165.5(7) . . . . ?
C64 P4 C77 C82 -84.8(8) . . . . ?
Ag2 P4 C77 C82 40.0(8) . . . . ?
C83 P4 C77 C78 -10.6(9) . . . . ?
C64 P4 C77 C78 99.2(8) . . . . ?
Ag2 P4 C77 C78 -136.0(7) . . . . ?
C82 C77 C78 C79 3.4(14) . . . . ?
P4 C77 C78 C79 179.5(7) . . . . ?
C77 C78 C79 C80 -3.1(15) . . . . ?
C78 C79 C80 C81 1.2(16) . . . . ?
C79 C80 C81 C82 0.3(16) . . . . ?
C78 C77 C82 C81 -1.9(15) . . . . ?
P4 C77 C82 C81 -178.2(8) . . . . ?
C80 C81 C82 C77 0.1(16) . . . . ?
C77 P4 C83 C84 82.9(8) . . . . ?
C64 P4 C83 C84 -25.8(8) . . . . ?
Ag2 P4 C83 C84 -158.1(6) . . . . ?
C77 P4 C83 C88 -95.0(7) . . . . ?
C64 P4 C83 C88 156.3(7) . . . . ?
Ag2 P4 C83 C88 23.9(8) . . . . ?
C88 C83 C84 C85 0.2(12) . . . . ?
P4 C83 C84 C85 -177.7(6) . . . . ?
C83 C84 C85 C86 1.1(13) . . . . ?
C84 C85 C86 C87 -2.7(14) . . . . ?
C85 C86 C87 C88 2.8(16) . . . . ?
C86 C87 C88 C83 -1.4(15) . . . . ?
C84 C83 C88 C87 0.0(13) . . . . ?
P4 C83 C88 C87 177.9(8) . . . . ?
F3 C89 C90 O5 -169.1(8) . . . . ?
F2 C89 C90 O5 72.1(9) . . . . ?
F1 C89 C90 O5 -45.3(11) . . . . ?
F3 C89 C90 O6 8.8(12) . . . . ?
F2 C89 C90 O6 -110.0(9) . . . . ?
F1 C89 C90 O6 132.6(8) . . . . ?
F4 C91 C92 O7 38.3(11) . . . . ?
F6 C91 C92 O7 -83.2(9) . . . . ?
F5 C91 C92 O7 157.7(8) . . . . ?
F4 C91 C92 O8 -142.7(8) . . . . ?
F6 C91 C92 O8 95.8(9) . . . . ?
F5 C91 C92 O8 -23.4(12) . . . . ?
