#------------------------------------------------------------------------------
#$Date: 2015-12-09 17:17:59 +0200 (Wed, 09 Dec 2015) $
#$Revision: 171288 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/67/7036701.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_7036701
loop_
_publ_author_name
'Chen, Chia-Hsiang'
'Aghabali, Amineh'
'Metta-Magana, Alejandro J'
'Olmstead, Marilyn M.'
'Balch, Alan L.'
'Echegoyen, Luis'
_publ_section_title
;
 Synthesis and characterization of a trans-1 hexakis-fullerene linker that
 forms crystalline polymers with silver salts.
;
_journal_issue                   42
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              18487
_journal_page_last               18491
_journal_paper_doi               10.1039/c5dt03054d
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         '2(C59 H32 Ag N2 O12 P F6), 2(C2 H3 N)'
_chemical_formula_sum            'C122 H70 Ag2 F12 N6 O24 P2'
_chemical_formula_weight         2509.52
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-08-06 deposited with the CCDC.
2015-09-29 downloaded from the CCDC.
;
_cell_angle_alpha                72.474(2)
_cell_angle_beta                 81.9800(18)
_cell_angle_gamma                78.445(2)
_cell_formula_units_Z            1
_cell_length_a                   10.1664(4)
_cell_length_b                   14.1537(6)
_cell_length_c                   20.4581(8)
_cell_measurement_reflns_used    9897
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      68.25
_cell_measurement_theta_min      3.32
_cell_volume                     2740.32(19)
_computing_cell_refinement       'SAINT (Bruker, 2013)'
_computing_data_collection       'Apex2 (Bruker, 2013)'
_computing_data_reduction        'SAINT (Bruker, 2013)'
_computing_publication_material  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT (Sheldrick, 2012)'
_diffrn_ambient_temperature      90(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'Bruker ApexDUO'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0471
_diffrn_reflns_av_unetI/netI     0.0358
_diffrn_reflns_laue_measured_fraction_full 0.966
_diffrn_reflns_laue_measured_fraction_max 0.966
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            39479
_diffrn_reflns_point_group_measured_fraction_full 0.966
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_theta_full        63.684
_diffrn_reflns_theta_max         63.684
_diffrn_reflns_theta_min         2.273
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    3.995
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.6088
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2012)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.521
_exptl_crystal_description       needle
_exptl_crystal_F_000             1268
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.075
_exptl_crystal_size_min          0.025
_refine_diff_density_max         1.515
_refine_diff_density_min         -1.028
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.962
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     866
_refine_ls_number_reflns         8706
_refine_ls_number_restraints     113
_refine_ls_restrained_S_all      0.997
_refine_ls_R_factor_all          0.0884
_refine_ls_R_factor_gt           0.0756
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1893P)²+4.9619P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2323
_refine_ls_wR_factor_ref         0.2499
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7026
_reflns_number_total             8706
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5dt03054d2.cif
_cod_data_source_block           4
_cod_depositor_comments
'Adding full bibliography for 7036700--7036702.cif.'
_cod_original_cell_volume        2740.3(2)
_cod_database_code               7036701
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.502
_shelx_estimated_absorpt_t_max   0.907
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1A Ag -0.1179(3) 0.5079(4) 0.46183(18) 0.0703(9) Uani 0.4 1 d . . P . .
Ag1B Ag 0.1224(4) 0.4773(5) 0.5461(3) 0.1064(14) Uani 0.4 1 d . U P A 1
Ag1C Ag 0.0949(4) 0.5541(5) 0.5130(2) 0.1024(12) Uani 0.2 1 d D U P A 2
O1 O 1.3670(3) 0.6060(2) 0.16141(19) 0.0407(8) Uani 1 1 d . . . . .
O2 O 1.2641(4) 0.7387(2) 0.19821(18) 0.0408(8) Uani 1 1 d . . . . .
O3 O 1.0103(3) 0.8653(2) 0.10611(19) 0.0409(8) Uani 1 1 d . . . . .
O4 O 1.2200(3) 0.8729(2) 0.05581(17) 0.0363(8) Uani 1 1 d . . . . .
O5 O 1.5100(3) 0.2070(2) 0.04132(17) 0.0395(8) Uani 1 1 d . . . . .
O6 O 1.5188(3) 0.1065(2) 0.15043(17) 0.0390(8) Uani 1 1 d . . . . .
O7 O 1.2387(4) 0.1551(3) 0.24220(17) 0.0437(8) Uani 1 1 d . . . . .
O8 O 1.2400(4) 0.0514(2) 0.17757(18) 0.0402(8) Uani 1 1 d . . . . .
O9 O 0.5454(3) 0.3120(3) 0.17053(18) 0.0419(8) Uani 1 1 d . . . . .
O10 O 0.4722(3) 0.3698(3) 0.26280(17) 0.0409(8) Uani 1 1 d . . . . .
O11 O 0.6355(4) 0.5530(2) 0.25841(17) 0.0397(8) Uani 1 1 d . . . . .
O12 O 0.7022(3) 0.3903(3) 0.31293(16) 0.0401(8) Uani 1 1 d . . . . .
N1 N 0.0386(6) 0.4475(7) 0.3946(4) 0.089(2) Uani 1 1 d . . . . .
N2 N 0.2939(5) 0.4740(6) 0.4758(3) 0.081(2) Uani 1 1 d D . . . .
C1 C 0.6957(4) 0.4919(3) 0.1264(2) 0.0283(9) Uani 1 1 d . . . . .
C2 C 1.2013(4) 0.6033(3) -0.1638(2) 0.0282(9) Uani 1 1 d . . . . .
C3 C 1.0743(5) 0.5824(3) -0.1811(2) 0.0307(10) Uani 1 1 d . . . . .
C4 C 0.9488(5) 0.5145(3) 0.1715(2) 0.0293(9) Uani 1 1 d . . . . .
C5 C 0.8546(4) 0.6022(3) 0.1360(2) 0.0294(9) Uani 1 1 d . . . . .
C6 C 0.7391(4) 0.5912(3) 0.1117(2) 0.0298(9) Uani 1 1 d . . . . .
C7 C 0.7012(4) 0.6505(3) 0.0461(2) 0.0275(9) Uani 1 1 d . . . . .
C8 C 1.3508(4) 0.4119(3) -0.0132(2) 0.0289(9) Uani 1 1 d . . . . .
C9 C 1.3453(4) 0.5101(3) -0.0598(2) 0.0279(9) Uani 1 1 d . . . . .
C10 C 1.3070(4) 0.5935(3) -0.0348(2) 0.0283(9) Uani 1 1 d . . . . .
C11 C 1.2120(4) 0.6808(3) -0.0693(2) 0.0302(10) Uani 1 1 d . . . . .
C12 C 1.1580(4) 0.6836(3) -0.1287(2) 0.0286(9) Uani 1 1 d . . . . .
C13 C 1.0182(4) 0.7207(3) -0.1363(2) 0.0284(9) Uani 1 1 d . . . . .
C14 C 0.9672(5) 0.6581(3) -0.1692(2) 0.0286(9) Uani 1 1 d . . . . .
C15 C 1.1625(5) 0.3641(3) 0.1509(2) 0.0289(9) Uani 1 1 d . . . . .
C16 C 1.1864(4) 0.4631(3) 0.1410(2) 0.0285(9) Uani 1 1 d . . . . .
C17 C 1.0821(4) 0.5369(3) 0.1536(2) 0.0288(9) Uani 1 1 d . . . . .
C18 C 1.0729(4) 0.6443(3) 0.1127(2) 0.0283(9) Uani 1 1 d . . . . .
C19 C 0.9301(4) 0.6780(3) 0.0965(2) 0.0287(9) Uani 1 1 d . . . . .
C20 C 0.8929(4) 0.7355(3) 0.0320(2) 0.0295(10) Uani 1 1 d . . . . .
C21 C 0.7756(4) 0.7244(3) 0.0073(2) 0.0295(9) Uani 1 1 d . . . . .
C22 C 0.7929(5) 0.7523(3) -0.0693(2) 0.0295(9) Uani 1 1 d . . . . .
C23 C 1.2615(4) 0.3155(3) 0.1053(2) 0.0292(9) Uani 1 1 d . . . . .
C24 C 1.3273(4) 0.3986(3) 0.0576(2) 0.0285(9) Uani 1 1 d . . . . .
C25 C 1.2893(4) 0.4842(3) 0.0827(2) 0.0285(9) Uani 1 1 d . . . . .
C26 C 1.2837(4) 0.5804(3) 0.0375(2) 0.0280(9) Uani 1 1 d . . . . .
C27 C 1.1844(4) 0.6677(3) 0.0493(2) 0.0287(9) Uani 1 1 d . . . . .
C28 C 1.1314(4) 0.7218(3) -0.0186(2) 0.0282(9) Uani 1 1 d . . . . .
C29 C 0.9947(4) 0.7586(3) -0.0263(2) 0.0285(9) Uani 1 1 d . . . . .
C30 C 0.9385(4) 0.7610(3) -0.0868(2) 0.0281(9) Uani 1 1 d . . . . .
C31 C 1.3121(5) 0.2028(3) 0.1209(2) 0.0311(10) Uani 1 1 d . . . . .
C32 C 1.2606(5) 0.1354(3) 0.1884(2) 0.0334(10) Uani 1 1 d . . . . .
C33 C 1.1774(7) -0.0187(4) 0.2359(3) 0.0552(15) Uani 1 1 d . . . . .
H33A H 1.2056 -0.0157 0.2795 0.066 Uiso 1 1 calc R U . . .
H33B H 1.2063 -0.0882 0.2323 0.066 Uiso 1 1 calc R U . . .
C34 C 1.0262(8) 0.0098(7) 0.2351(4) 0.082(2) Uani 1 1 d . . . . .
H34A H 0.9973 0.0755 0.2439 0.123 Uiso 1 1 calc R U . . .
H34B H 0.9831 -0.0408 0.2709 0.123 Uiso 1 1 calc R U . . .
H34C H 0.9999 0.0132 0.1901 0.123 Uiso 1 1 calc R U . . .
C35 C 1.4579(5) 0.1730(3) 0.0978(2) 0.0340(10) Uani 1 1 d . . . . .
C36 C 1.6654(5) 0.0795(4) 0.1417(3) 0.0447(12) Uani 1 1 d . . . . .
H36A H 1.6967 0.0988 0.0922 0.054 Uiso 1 1 calc R U . . .
H36B H 1.7080 0.1160 0.1651 0.054 Uiso 1 1 calc R U . . .
C37 C 1.7039(7) -0.0281(5) 0.1710(4) 0.0672(18) Uani 1 1 d . . . . .
H37A H 1.6679 -0.0474 0.2192 0.101 Uiso 1 1 calc R U . . .
H37B H 1.8024 -0.0458 0.1681 0.101 Uiso 1 1 calc R U . . .
H37C H 1.6674 -0.0638 0.1452 0.101 Uiso 1 1 calc R U . . .
C38 C 1.1739(4) 0.7136(3) 0.1085(2) 0.0302(9) Uani 1 1 d . . . . .
C39 C 1.1208(5) 0.8264(3) 0.0912(2) 0.0324(10) Uani 1 1 d . . . . .
C40 C 1.1941(5) 0.9826(3) 0.0348(3) 0.0382(11) Uani 1 1 d . . . . .
H40A H 1.1420 1.0086 0.0722 0.046 Uiso 1 1 calc R U . . .
H40B H 1.1433 1.0087 -0.0066 0.046 Uiso 1 1 calc R U . . .
C41 C 1.3313(5) 1.0125(4) 0.0197(3) 0.0418(12) Uani 1 1 d . . . . .
H41A H 1.3742 0.9954 0.0628 0.063 Uiso 1 1 calc R U . . .
H41B H 1.3225 1.0850 -0.0021 0.063 Uiso 1 1 calc R U . . .
H41C H 1.3868 0.9764 -0.0113 0.063 Uiso 1 1 calc R U . . .
C42 C 1.2816(5) 0.6784(3) 0.1572(2) 0.0329(10) Uani 1 1 d . . . . .
C43 C 1.3719(6) 0.7234(4) 0.2431(3) 0.0479(13) Uani 1 1 d . . . . .
H43A H 1.4090 0.6508 0.2590 0.057 Uiso 1 1 calc R U . . .
H43B H 1.3347 0.7466 0.2840 0.057 Uiso 1 1 calc R U . . .
C44 C 1.4806(7) 0.7794(5) 0.2059(4) 0.0624(16) Uani 1 1 d . . . . .
H44A H 1.5182 0.7557 0.1657 0.094 Uiso 1 1 calc R U . . .
H44B H 1.5516 0.7683 0.2365 0.094 Uiso 1 1 calc R U . . .
H44C H 1.4440 0.8513 0.1907 0.094 Uiso 1 1 calc R U . . .
C45 C 0.6606(4) 0.4259(3) 0.1984(2) 0.0302(9) Uani 1 1 d . . . . .
C46 C 0.5549(5) 0.3614(3) 0.2074(2) 0.0319(10) Uani 1 1 d . . . . .
C47 C 0.3723(5) 0.3048(4) 0.2847(3) 0.0454(12) Uani 1 1 d . . . . .
H47A H 0.4102 0.2395 0.3159 0.054 Uiso 1 1 calc R U . . .
H47B H 0.3427 0.2922 0.2445 0.054 Uiso 1 1 calc R U . . .
C48 C 0.2551(6) 0.3569(6) 0.3216(3) 0.0585(17) Uani 1 1 d . . . . .
C49 C 0.2334(6) 0.4585(6) 0.3152(3) 0.0580(15) Uani 1 1 d . . . . .
H49 H 0.2923 0.4998 0.2850 0.070 Uiso 1 1 calc R U . . .
C50 C 0.1260(7) 0.5003(7) 0.3525(4) 0.075(2) Uani 1 1 d . . . . .
H50 H 0.1142 0.5702 0.3478 0.090 Uiso 1 1 calc R U . . .
C51 C 0.0559(9) 0.3537(9) 0.4004(5) 0.106(3) Uani 1 1 d . . . . .
H51 H -0.0060 0.3153 0.4309 0.127 Uiso 1 1 calc R U . . .
C52 C 0.1620(9) 0.3033(7) 0.3641(4) 0.094(3) Uani 1 1 d . . . . .
H52 H 0.1686 0.2336 0.3691 0.113 Uiso 1 1 calc R U . . .
C53 C 0.6624(4) 0.4662(3) 0.2588(2) 0.0309(10) Uani 1 1 d . . . . .
C54 C 0.6976(5) 0.4180(5) 0.3766(3) 0.0462(12) Uani 1 1 d . . . . .
H54A H 0.7385 0.4792 0.3667 0.055 Uiso 1 1 calc R U . . .
H54B H 0.7518 0.3632 0.4097 0.055 Uiso 1 1 calc R U . . .
C55 C 0.5565(6) 0.4372(4) 0.4086(3) 0.0470(13) Uani 1 1 d . . . . .
C56 C 0.4908(6) 0.5335(5) 0.4067(3) 0.0508(13) Uani 1 1 d . . . . .
H56 H 0.5319 0.5903 0.3825 0.061 Uiso 1 1 calc R U . . .
C57 C 0.3627(7) 0.5450(6) 0.4410(3) 0.0674(19) Uani 1 1 d . . . . .
H57 H 0.3206 0.6119 0.4390 0.081 Uiso 1 1 calc R U . . .
C58 C 0.3624(7) 0.3787(7) 0.4758(3) 0.072(2) Uani 1 1 d . . . . .
H58 H 0.3184 0.3235 0.5002 0.087 Uiso 1 1 calc R U . . .
C59 C 0.4910(7) 0.3567(5) 0.4429(3) 0.0553(14) Uani 1 1 d . . . . .
H59 H 0.5313 0.2897 0.4440 0.066 Uiso 1 1 calc R U . . .
P1A P 0.0567(5) 0.7882(4) 0.4268(2) 0.1182(16) Uani 0.678(5) 1 d D U P B 1
F1A F 0.1015(12) 0.8993(7) 0.4048(6) 0.157(4) Uani 0.678(5) 1 d D U P B 1
F2A F 0.1647(14) 0.7542(10) 0.4801(7) 0.140(5) Uani 0.678(5) 1 d D U P B 1
F3A F 0.0056(13) 0.6862(7) 0.4433(6) 0.173(5) Uani 0.678(5) 1 d D U P B 1
F4A F -0.0713(11) 0.8437(9) 0.3853(7) 0.182(5) Uani 0.678(5) 1 d D U P B 1
F5A F 0.1308(13) 0.7742(9) 0.3583(5) 0.152(4) Uani 0.678(5) 1 d D U P B 1
F6A F -0.0460(13) 0.8276(9) 0.4807(7) 0.182(5) Uani 0.678(5) 1 d D U P B 1
P1B P 0.1912(7) 0.8509(5) 0.4438(2) 0.080(2) Uani 0.322(5) 1 d D U P B 2
F1B F 0.2030(17) 0.9653(8) 0.4071(6) 0.109(4) Uani 0.322(5) 1 d D U P B 2
F2B F 0.2834(15) 0.8524(11) 0.4991(6) 0.101(4) Uani 0.322(5) 1 d D U P B 2
F3B F 0.1731(18) 0.7405(8) 0.4804(6) 0.067(4) Uani 0.322(5) 1 d D U P B 2
F4B F 0.124(2) 0.8468(14) 0.3793(7) 0.119(5) Uani 0.322(5) 1 d D U P B 2
F5B F 0.3187(14) 0.8172(9) 0.3977(6) 0.097(4) Uani 0.322(5) 1 d D U P B 2
F6B F 0.0628(15) 0.8894(11) 0.4878(7) 0.108(5) Uani 0.322(5) 1 d D U P B 2
N3 N 0.6991(11) 0.1513(8) 0.3015(6) 0.073(3) Uani 0.5 1 d G . P . .
C60 C 0.7951(10) 0.1562(6) 0.3243(5) 0.071(4) Uani 0.5 1 d G . P . .
C61 C 0.9152(12) 0.1624(12) 0.3527(9) 0.095(6) Uani 0.5 1 d G . P . .
H53A H 0.9081 0.1313 0.4025 0.143 Uiso 0.5 1 calc R U P . .
H53B H 0.9240 0.2331 0.3432 0.143 Uiso 0.5 1 calc R U P . .
H53C H 0.9946 0.1271 0.3316 0.143 Uiso 0.5 1 calc R U P . .
N4 N -0.2652(16) 0.6884(13) 0.3613(6) 0.151(10) Uani 0.5 1 d G . P . .
C62 C -0.1853(11) 0.7090(7) 0.3152(4) 0.078(4) Uani 0.5 1 d G . P . .
C63 C -0.0854(11) 0.7349(8) 0.2575(5) 0.056(3) Uani 0.5 1 d G . P . .
H51A H -0.1309 0.7683 0.2154 0.084 Uiso 0.5 1 calc R U P . .
H51B H -0.0254 0.6736 0.2524 0.084 Uiso 0.5 1 calc R U P . .
H51C H -0.0326 0.7803 0.2659 0.084 Uiso 0.5 1 calc R U P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 '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
Ag1B Ag1A N2 96.1(17) 2_566 2_566
Ag1C Ag1A N2 91.5(4) 2_566 2_566
Ag1B Ag1A N1 93.1(17) 2_566 .
Ag1C Ag1A N1 78.0(4) 2_566 .
N2 Ag1A N1 161.1(3) 2_566 .
Ag1C Ag1A Ag1C 86.8(4) 2_566 .
N2 Ag1A Ag1C 110.64(19) 2_566 .
N1 Ag1A Ag1C 84.7(2) . .
Ag1B Ag1A Ag1A 112.8(16) 2_566 2_566
Ag1C Ag1A Ag1A 69.7(4) 2_566 2_566
N2 Ag1A Ag1A 109.8(2) 2_566 2_566
N1 Ag1A Ag1A 81.5(2) . 2_566
Ag1C Ag1A Ag1A 17.09(14) . 2_566
Ag1B Ag1A Ag1B 116.6(15) 2_566 .
N2 Ag1A Ag1B 108.69(17) 2_566 .
N1 Ag1A Ag1B 81.5(2) . .
Ag1A Ag1A Ag1B 3.9(2) 2_566 .
Ag1A Ag1B N2 77.8(17) 2_566 .
Ag1A Ag1B N1 81.0(18) 2_566 2_566
N2 Ag1B N1 153.2(5) . 2_566
Ag1A Ag1B Ag1A 63.4(15) 2_566 .
N2 Ag1B Ag1A 105.5(2) . .
N1 Ag1B Ag1A 79.0(2) 2_566 .
Ag1A Ag1B Ag1B 59.7(14) 2_566 2_566
N2 Ag1B Ag1B 104.1(3) . 2_566
N1 Ag1B Ag1B 78.7(3) 2_566 2_566
Ag1A Ag1B Ag1B 3.6(2) . 2_566
Ag1A Ag1C N1 78.7(4) 2_566 2_566
Ag1A Ag1C N2 65.8(3) 2_566 .
N1 Ag1C N2 141.2(4) 2_566 .
Ag1A Ag1C C51 104.5(4) 2_566 2_566
N1 Ag1C C51 28.5(3) 2_566 2_566
N2 Ag1C C51 151.8(3) . 2_566
Ag1A Ag1C Ag1A 93.2(4) 2_566 .
N1 Ag1C Ag1A 86.0(2) 2_566 .
N2 Ag1C Ag1A 110.1(2) . .
C51 Ag1C Ag1A 96.4(2) 2_566 .
Ag1A Ag1C Ag1C 75.6(4) 2_566 2_566
N1 Ag1C Ag1C 82.7(3) 2_566 2_566
N2 Ag1C Ag1C 102.0(3) . 2_566
C51 Ag1C Ag1C 100.6(3) 2_566 2_566
Ag1A Ag1C Ag1C 17.67(14) . 2_566
C42 O2 C43 116.3(4) . .
C39 O4 C40 117.4(3) . .
C35 O6 C36 117.4(4) . .
C32 O8 C33 116.4(4) . .
C46 O10 C47 117.0(4) . .
C53 O12 C54 114.9(4) . .
C51 N1 C50 117.7(7) . .
C51 N1 Ag1C 97.4(6) . 2_566
C50 N1 Ag1C 141.0(6) . 2_566
C51 N1 Ag1A 118.2(6) . .
C50 N1 Ag1A 123.7(6) . .
Ag1C N1 Ag1A 23.3(2) 2_566 .
C51 N1 Ag1B 123.1(6) . 2_566
C50 N1 Ag1B 119.1(6) . 2_566
Ag1A N1 Ag1B 5.8(3) . 2_566
C57 N2 C58 112.5(5) . .
C57 N2 Ag1A 126.1(5) . 2_566
C58 N2 Ag1A 120.7(5) . 2_566
C57 N2 Ag1B 130.9(5) . .
C58 N2 Ag1B 115.2(5) . .
Ag1A N2 Ag1B 6.1(3) 2_566 .
C57 N2 Ag1C 105.8(5) . .
C58 N2 Ag1C 141.7(5) . .
Ag1A N2 Ag1C 22.8(2) 2_566 .
C9 C1 C6 105.0(4) 2_765 .
C9 C1 C45 128.0(3) 2_765 .
C6 C1 C45 124.3(4) . .
C9 C1 C2 115.8(3) 2_765 2_765
C6 C1 C2 115.9(4) . 2_765
C45 C1 C2 58.3(3) . 2_765
C12 C2 C3 105.2(4) . .
C12 C2 C45 128.0(4) . 2_765
C3 C2 C45 123.5(4) . 2_765
C12 C2 C1 116.6(4) . 2_765
C3 C2 C1 116.3(3) . 2_765
C45 C2 C1 58.7(3) 2_765 2_765
C4 C3 C14 120.2(4) 2_765 .
C4 C3 C2 122.5(4) 2_765 .
C14 C3 C2 108.4(4) . .
C3 C4 C17 120.1(4) 2_765 .
C3 C4 C5 120.8(4) 2_765 .
C17 C4 C5 108.3(4) . .
C6 C5 C19 119.9(4) . .
C6 C5 C4 121.4(4) . .
C19 C5 C4 108.5(4) . .
C5 C6 C7 120.2(4) . .
C5 C6 C1 122.4(4) . .
C7 C6 C1 108.5(4) . .
C21 C7 C6 119.8(4) . .
C21 C7 C8 120.7(4) . 2_765
C6 C7 C8 108.8(4) . 2_765
C24 C8 C9 120.6(4) . .
C24 C8 C7 120.9(4) . 2_765
C9 C8 C7 108.0(4) . 2_765
C10 C9 C8 119.6(4) . .
C10 C9 C1 122.4(4) . 2_765
C8 C9 C1 108.4(3) . 2_765
C9 C10 C26 119.9(4) . .
C9 C10 C11 121.3(4) . .
C26 C10 C11 108.3(4) . .
C12 C11 C28 120.5(4) . .
C12 C11 C10 121.1(4) . .
C28 C11 C10 108.6(4) . .
C11 C12 C13 119.6(4) . .
C11 C12 C2 122.3(4) . .
C13 C12 C2 108.4(4) . .
C30 C13 C12 120.1(4) . .
C30 C13 C14 121.4(4) . .
C12 C13 C14 108.2(4) . .
C15 C14 C3 119.6(4) 2_765 .
C15 C14 C13 120.6(4) 2_765 .
C3 C14 C13 108.6(4) . .
C14 C15 C16 120.3(4) 2_765 .
C14 C15 C23 122.4(4) 2_765 .
C16 C15 C23 109.1(3) . .
C17 C16 C15 120.2(4) . .
C17 C16 C25 122.2(4) . .
C15 C16 C25 107.6(4) . .
C16 C17 C4 119.4(4) . .
C16 C17 C18 122.3(4) . .
C4 C17 C18 108.3(4) . .
C19 C18 C17 105.5(3) . .
C19 C18 C38 125.5(4) . .
C17 C18 C38 126.4(4) . .
C19 C18 C27 116.3(4) . .
C17 C18 C27 115.5(3) . .
C38 C18 C27 58.0(3) . .
C20 C19 C5 119.5(4) . .
C20 C19 C18 122.9(4) . .
C5 C19 C18 108.4(4) . .
C19 C20 C21 120.5(4) . .
C19 C20 C29 120.9(4) . .
C21 C20 C29 108.5(4) . .
C7 C21 C20 119.9(4) . .
C7 C21 C22 122.5(4) . .
C20 C21 C22 109.0(4) . .
C21 C22 C30 104.6(4) . .
C21 C22 C31 129.6(4) . 2_765
C30 C22 C31 123.0(4) . 2_765
C21 C22 C23 116.8(3) . 2_765
C30 C22 C23 115.4(3) . 2_765
C31 C22 C23 58.8(3) 2_765 2_765
C15 C23 C24 104.9(3) . .
C15 C23 C31 124.6(4) . .
C24 C23 C31 127.9(4) . .
C15 C23 C22 116.9(4) . 2_765
C24 C23 C22 115.3(4) . 2_765
C31 C23 C22 58.3(3) . 2_765
C8 C24 C25 119.4(4) . .
C8 C24 C23 123.2(4) . .
C25 C24 C23 108.2(4) . .
C26 C25 C24 120.3(4) . .
C26 C25 C16 120.3(4) . .
C24 C25 C16 108.9(3) . .
C25 C26 C10 120.0(4) . .
C25 C26 C27 122.3(4) . .
C10 C26 C27 108.3(4) . .
C28 C27 C26 105.3(3) . .
C28 C27 C38 124.4(4) . .
C26 C27 C38 127.2(4) . .
C28 C27 C18 115.5(4) . .
C26 C27 C18 116.8(3) . .
C38 C27 C18 58.8(3) . .
C29 C28 C11 119.6(4) . .
C29 C28 C27 122.8(4) . .
C11 C28 C27 108.4(4) . .
C28 C29 C30 120.1(4) . .
C28 C29 C20 121.0(4) . .
C30 C29 C20 108.1(4) . .
C13 C30 C29 119.8(4) . .
C13 C30 C22 122.5(4) . .
C29 C30 C22 108.6(4) . .
C35 C31 C32 115.6(4) . .
C35 C31 C22 120.9(4) . 2_765
C32 C31 C22 113.9(4) . 2_765
C35 C31 C23 115.4(3) . .
C32 C31 C23 118.0(4) . .
C22 C31 C23 63.0(3) 2_765 .
O7 C32 O8 125.5(4) . .
O7 C32 C31 125.8(4) . .
O8 C32 C31 108.7(4) . .
O8 C33 C34 108.7(5) . .
O8 C33 H33A 109.9 . .
C34 C33 H33A 109.9 . .
O8 C33 H33B 109.9 . .
C34 C33 H33B 109.9 . .
H33A C33 H33B 108.3 . .
C33 C34 H34A 109.5 . .
C33 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C33 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
O5 C35 O6 126.3(4) . .
O5 C35 C31 124.7(5) . .
O6 C35 C31 108.9(4) . .
C37 C36 O6 109.3(4) . .
C37 C36 H36A 109.8 . .
O6 C36 H36A 109.8 . .
C37 C36 H36B 109.8 . .
O6 C36 H36B 109.8 . .
H36A C36 H36B 108.3 . .
C36 C37 H37A 109.5 . .
C36 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
C36 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
C42 C38 C27 119.1(4) . .
C42 C38 C39 114.1(4) . .
C27 C38 C39 115.3(4) . .
C42 C38 C18 118.7(4) . .
C27 C38 C18 63.2(3) . .
C39 C38 C18 117.3(4) . .
O3 C39 O4 126.2(4) . .
O3 C39 C38 126.5(4) . .
O4 C39 C38 107.3(4) . .
O4 C40 C41 104.9(4) . .
O4 C40 H40A 110.8 . .
C41 C40 H40A 110.8 . .
O4 C40 H40B 110.8 . .
C41 C40 H40B 110.8 . .
H40A C40 H40B 108.8 . .
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 . .
O1 C42 O2 124.7(5) . .
O1 C42 C38 126.1(4) . .
O2 C42 C38 109.1(4) . .
O2 C43 C44 110.5(5) . .
O2 C43 H43A 109.6 . .
C44 C43 H43A 109.6 . .
O2 C43 H43B 109.6 . .
C44 C43 H43B 109.6 . .
H43A C43 H43B 108.1 . .
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 . .
C46 C45 C53 114.2(3) . .
C46 C45 C2 119.2(3) . 2_765
C53 C45 C2 114.8(4) . 2_765
C46 C45 C1 118.2(4) . .
C53 C45 C1 118.0(3) . .
C2 C45 C1 63.0(3) 2_765 .
O9 C46 O10 125.7(4) . .
O9 C46 C45 125.8(4) . .
O10 C46 C45 108.4(3) . .
O10 C47 C48 107.4(4) . .
O10 C47 H47A 110.2 . .
C48 C47 H47A 110.2 . .
O10 C47 H47B 110.2 . .
C48 C47 H47B 110.2 . .
H47A C47 H47B 108.5 . .
C52 C48 C49 116.3(7) . .
C52 C48 C47 120.2(7) . .
C49 C48 C47 123.5(5) . .
C48 C49 C50 120.0(7) . .
C48 C49 H49 120.0 . .
C50 C49 H49 120.0 . .
N1 C50 C49 123.1(8) . .
N1 C50 H50 118.4 . .
C49 C50 H50 118.4 . .
N1 C51 C52 123.8(7) . .
N1 C51 Ag1C 54.1(5) . 2_566
C52 C51 Ag1C 165.9(8) . 2_566
N1 C51 H51 118.1 . .
C52 C51 H51 118.1 . .
Ag1C C51 H51 65.9 2_566 .
C48 C52 C51 118.9(8) . .
C48 C52 H52 120.5 . .
C51 C52 H52 120.5 . .
O11 C53 O12 124.6(4) . .
O11 C53 C45 126.0(4) . .
O12 C53 C45 109.4(4) . .
O12 C54 C55 112.2(4) . .
O12 C54 H54A 109.2 . .
C55 C54 H54A 109.2 . .
O12 C54 H54B 109.2 . .
C55 C54 H54B 109.2 . .
H54A C54 H54B 107.9 . .
C56 C55 C59 118.8(5) . .
C56 C55 C54 121.6(5) . .
C59 C55 C54 119.6(5) . .
C55 C56 C57 118.3(6) . .
C55 C56 H56 120.9 . .
C57 C56 H56 120.9 . .
N2 C57 C56 127.5(7) . .
N2 C57 H57 116.3 . .
C56 C57 H57 116.3 . .
N2 C58 C59 125.8(6) . .
N2 C58 H58 117.1 . .
C59 C58 H58 117.1 . .
C55 C59 C58 117.1(6) . .
C55 C59 H59 121.4 . .
C58 C59 H59 121.4 . .
F5A P1A F3A 91.2(6) . .
F5A P1A F6A 162.6(8) . .
F3A P1A F6A 94.7(6) . .
F5A P1A F2A 106.5(9) . .
F3A P1A F2A 97.7(6) . .
F6A P1A F2A 88.9(9) . .
F5A P1A F4A 87.5(8) . .
F3A P1A F4A 90.0(6) . .
F6A P1A F4A 76.2(8) . .
F2A P1A F4A 163.8(9) . .
F5A P1A F1A 87.6(5) . .
F3A P1A F1A 175.4(7) . .
F6A P1A F1A 85.3(6) . .
F2A P1A F1A 86.9(6) . .
F4A P1A F1A 85.5(6) . .
F3B P1B F2B 92.6(7) . .
F3B P1B F5B 92.2(7) . .
F2B P1B F5B 90.8(9) . .
F3B P1B F6B 90.2(7) . .
F2B P1B F6B 89.9(10) . .
F5B P1B F6B 177.5(7) . .
F3B P1B F1B 177.5(9) . .
F2B P1B F1B 88.4(7) . .
F5B P1B F1B 90.1(7) . .
F6B P1B F1B 87.6(7) . .
F3B P1B F4B 89.6(7) . .
F2B P1B F4B 169.4(11) . .
F5B P1B F4B 78.8(11) . .
F6B P1B F4B 100.5(12) . .
F1B P1B F4B 89.8(7) . .
N3 C60 C61 180.0 . .
C60 C61 H53A 109.5 . .
C60 C61 H53B 109.5 . .
H53A C61 H53B 109.5 . .
C60 C61 H53C 109.5 . .
H53A C61 H53C 109.5 . .
H53B C61 H53C 109.5 . .
N4 C62 C63 180.0 . .
C62 C63 H51A 109.5 . .
C62 C63 H51B 109.5 . .
H51A C63 H51B 109.5 . .
C62 C63 H51C 109.5 . .
H51A C63 H51C 109.5 . .
H51B C63 H51C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1A Ag1B 0.224(12) 2_566
Ag1A Ag1C 0.876(7) 2_566
Ag1A N2 2.066(5) 2_566
Ag1A N1 2.170(7) .
Ag1A Ag1C 2.796(5) .
Ag1A Ag1A 2.977(5) 2_566
Ag1A Ag1B 3.071(3) .
Ag1B Ag1A 0.224(12) 2_566
Ag1B N2 2.102(6) .
Ag1B N1 2.194(8) 2_566
Ag1B Ag1B 3.177(9) 2_566
Ag1C Ag1A 0.876(7) 2_566
Ag1C N1 2.165(7) 2_566
Ag1C N2 2.265(4) .
Ag1C C51 2.650(10) 2_566
Ag1C Ag1C 2.882(10) 2_566
O1 C42 1.193(6) .
O2 C42 1.339(5) .
O2 C43 1.469(6) .
O3 C39 1.190(6) .
O4 C39 1.323(5) .
O4 C40 1.460(5) .
O5 C35 1.201(6) .
O6 C35 1.332(6) .
O6 C36 1.461(6) .
O7 C32 1.195(6) .
O8 C32 1.335(5) .
O8 C33 1.463(6) .
O9 C46 1.196(6) .
O10 C46 1.335(5) .
O10 C47 1.441(5) .
O11 C53 1.202(5) .
O12 C53 1.333(6) .
O12 C54 1.461(6) .
N1 C51 1.274(12) .
N1 C50 1.324(10) .
N1 Ag1C 2.165(7) 2_566
N1 Ag1B 2.194(8) 2_566
N2 C57 1.310(10) .
N2 C58 1.389(10) .
N2 Ag1A 2.066(5) 2_566
C1 C9 1.489(6) 2_765
C1 C6 1.489(6) .
C1 C45 1.527(6) .
C1 C2 1.592(7) 2_765
C2 C12 1.484(6) .
C2 C3 1.490(6) .
C2 C45 1.520(6) 2_765
C2 C1 1.592(7) 2_765
C3 C4 1.389(6) 2_765
C3 C14 1.416(6) .
C4 C3 1.389(6) 2_765
C4 C17 1.427(6) .
C4 C5 1.469(7) .
C5 C6 1.390(7) .
C5 C19 1.424(6) .
C6 C7 1.411(7) .
C7 C21 1.394(6) .
C7 C8 1.469(6) 2_765
C8 C24 1.395(6) .
C8 C9 1.425(6) .
C8 C7 1.469(6) 2_765
C9 C10 1.390(6) .
C9 C1 1.489(6) 2_765
C10 C26 1.425(6) .
C10 C11 1.465(7) .
C11 C12 1.389(7) .
C11 C28 1.421(6) .
C12 C13 1.426(6) .
C13 C30 1.393(6) .
C13 C14 1.466(6) .
C14 C15 1.390(6) 2_765
C15 C14 1.390(6) 2_765
C15 C16 1.419(6) .
C15 C23 1.485(6) .
C16 C17 1.387(6) .
C16 C25 1.472(6) .
C17 C18 1.489(6) .
C18 C19 1.486(6) .
C18 C38 1.533(6) .
C18 C27 1.599(5) .
C19 C20 1.383(7) .
C20 C21 1.413(6) .
C20 C29 1.469(6) .
C21 C22 1.490(6) .
C22 C30 1.494(6) .
C22 C31 1.516(7) 2_765
C22 C23 1.588(6) 2_765
C23 C24 1.492(6) .
C23 C31 1.524(6) .
C23 C22 1.588(6) 2_765
C24 C25 1.419(6) .
C25 C26 1.392(6) .
C26 C27 1.489(6) .
C27 C28 1.486(7) .
C27 C38 1.519(6) .
C28 C29 1.396(6) .
C29 C30 1.423(6) .
C31 C35 1.508(6) .
C31 C32 1.515(6) .
C31 C22 1.516(7) 2_765
C33 C34 1.511(10) .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C36 C37 1.452(8) .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
C38 C42 1.493(7) .
C38 C39 1.528(6) .
C40 C41 1.502(7) .
C40 H40A 0.9900 .
C40 H40B 0.9900 .
C41 H41A 0.9800 .
C41 H41B 0.9800 .
C41 H41C 0.9800 .
C43 C44 1.477(9) .
C43 H43A 0.9900 .
C43 H43B 0.9900 .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
C45 C46 1.503(6) .
C45 C53 1.511(6) .
C45 C2 1.520(6) 2_765
C47 C48 1.505(9) .
C47 H47A 0.9900 .
C47 H47B 0.9900 .
C48 C52 1.374(9) .
C48 C49 1.378(10) .
C49 C50 1.381(9) .
C49 H49 0.9500 .
C50 H50 0.9500 .
C51 C52 1.419(12) .
C51 Ag1C 2.650(10) 2_566
C51 H51 0.9500 .
C52 H52 0.9500 .
C54 C55 1.500(7) .
C54 H54A 0.9900 .
C54 H54B 0.9900 .
C55 C56 1.384(8) .
C55 C59 1.387(8) .
C56 C57 1.394(8) .
C56 H56 0.9500 .
C57 H57 0.9500 .
C58 C59 1.407(10) .
C58 H58 0.9500 .
C59 H59 0.9500 .
P1A F5A 1.543(8) .
P1A F3A 1.557(8) .
P1A F6A 1.559(9) .
P1A F2A 1.560(9) .
P1A F4A 1.591(9) .
P1A F1A 1.639(9) .
P1B F3B 1.553(9) .
P1B F2B 1.574(10) .
P1B F5B 1.574(9) .
P1B F6B 1.580(10) .
P1B F1B 1.587(9) .
P1B F4B 1.590(10) .
N3 C60 1.1609 .
C60 C61 1.4519 .
C61 H53A 0.9800 .
C61 H53B 0.9800 .
C61 H53C 0.9800 .
N4 C62 1.1621 .
C62 C63 1.4531 .
C63 H51A 0.9800 .
C63 H51B 0.9800 .
C63 H51C 0.9800 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C61 H53A F6B 0.98 2.23 3.15(2) 156.7 2_666
C63 H51A O3 0.98 2.64 3.223(10) 118.1 1_455
C61 H53A F6B 0.98 2.23 3.15(2) 156.7 2_666
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_4
C12 C2 C3 C4 -136.7(4) . 2_765
C45 C2 C3 C4 62.5(6) 2_765 2_765
C1 C2 C3 C4 -6.0(6) 2_765 2_765
C12 C2 C3 C14 10.5(5) . .
C45 C2 C3 C14 -150.3(4) 2_765 .
C1 C2 C3 C14 141.3(4) 2_765 .
C3 C4 C5 C6 0.8(6) 2_765 .
C17 C4 C5 C6 145.0(4) . .
C3 C4 C5 C19 -144.2(4) 2_765 .
C17 C4 C5 C19 0.1(5) . .
C19 C5 C6 C7 4.1(6) . .
C4 C5 C6 C7 -137.0(4) . .
C19 C5 C6 C1 147.8(4) . .
C4 C5 C6 C1 6.7(6) . .
C9 C1 C6 C5 -136.4(4) 2_765 .
C45 C1 C6 C5 60.7(6) . .
C2 C1 C6 C5 -7.2(6) 2_765 .
C9 C1 C6 C7 10.9(4) 2_765 .
C45 C1 C6 C7 -152.0(4) . .
C2 C1 C6 C7 140.0(4) 2_765 .
C5 C6 C7 C21 -3.8(6) . .
C1 C6 C7 C21 -151.9(4) . .
C5 C6 C7 C8 140.9(4) . 2_765
C1 C6 C7 C8 -7.3(4) . 2_765
C24 C8 C9 C10 -4.5(6) . .
C7 C8 C9 C10 140.5(4) 2_765 .
C24 C8 C9 C1 -151.5(4) . 2_765
C7 C8 C9 C1 -6.5(4) 2_765 2_765
C8 C9 C10 C26 4.9(6) . .
C1 C9 C10 C26 147.1(4) 2_765 .
C8 C9 C10 C11 -135.7(4) . .
C1 C9 C10 C11 6.5(6) 2_765 .
C9 C10 C11 C12 -0.7(6) . .
C26 C10 C11 C12 -145.3(4) . .
C9 C10 C11 C28 145.2(4) . .
C26 C10 C11 C28 0.5(4) . .
C28 C11 C12 C13 -5.0(6) . .
C10 C11 C12 C13 136.9(4) . .
C28 C11 C12 C2 -147.1(4) . .
C10 C11 C12 C2 -5.2(6) . .
C3 C2 C12 C11 135.7(4) . .
C45 C2 C12 C11 -64.7(6) 2_765 .
C1 C2 C12 C11 5.1(5) 2_765 .
C3 C2 C12 C13 -10.1(4) . .
C45 C2 C12 C13 149.6(4) 2_765 .
C1 C2 C12 C13 -140.7(4) 2_765 .
C11 C12 C13 C30 4.9(6) . .
C2 C12 C13 C30 151.7(4) . .
C11 C12 C13 C14 -140.8(4) . .
C2 C12 C13 C14 6.1(4) . .
C4 C3 C14 C15 -2.9(7) 2_765 2_765
C2 C3 C14 C15 -151.0(4) . 2_765
C4 C3 C14 C13 141.0(4) 2_765 .
C2 C3 C14 C13 -7.1(5) . .
C30 C13 C14 C15 -1.0(7) . 2_765
C12 C13 C14 C15 144.1(4) . 2_765
C30 C13 C14 C3 -144.5(4) . .
C12 C13 C14 C3 0.7(5) . .
C14 C15 C16 C17 4.1(7) 2_765 .
C23 C15 C16 C17 153.3(4) . .
C14 C15 C16 C25 -142.1(4) 2_765 .
C23 C15 C16 C25 7.1(5) . .
C15 C16 C17 C4 -4.9(6) . .
C25 C16 C17 C4 136.4(4) . .
C15 C16 C17 C18 -146.4(4) . .
C25 C16 C17 C18 -5.1(7) . .
C3 C4 C17 C16 4.7(6) 2_765 .
C5 C4 C17 C16 -139.8(4) . .
C3 C4 C17 C18 151.1(4) 2_765 .
C5 C4 C17 C18 6.6(4) . .
C16 C17 C18 C19 134.8(4) . .
C4 C17 C18 C19 -10.4(4) . .
C16 C17 C18 C38 -63.0(6) . .
C4 C17 C18 C38 151.9(4) . .
C16 C17 C18 C27 4.8(6) . .
C4 C17 C18 C27 -140.3(4) . .
C6 C5 C19 C20 -4.5(6) . .
C4 C5 C19 C20 141.1(4) . .
C6 C5 C19 C18 -152.3(4) . .
C4 C5 C19 C18 -6.7(4) . .
C17 C18 C19 C20 -136.0(4) . .
C38 C18 C19 C20 61.5(5) . .
C27 C18 C19 C20 -6.6(5) . .
C17 C18 C19 C5 10.4(4) . .
C38 C18 C19 C5 -152.1(4) . .
C27 C18 C19 C5 139.9(3) . .
C5 C19 C20 C21 4.4(6) . .
C18 C19 C20 C21 147.4(4) . .
C5 C19 C20 C29 -137.0(4) . .
C18 C19 C20 C29 5.9(6) . .
C6 C7 C21 C20 3.7(6) . .
C8 C7 C21 C20 -136.8(4) 2_765 .
C6 C7 C21 C22 147.7(4) . .
C8 C7 C21 C22 7.3(6) 2_765 .
C19 C20 C21 C7 -4.0(6) . .
C29 C20 C21 C7 141.6(4) . .
C19 C20 C21 C22 -152.5(4) . .
C29 C20 C21 C22 -6.8(5) . .
C7 C21 C22 C30 -136.6(4) . .
C20 C21 C22 C30 10.9(4) . .
C7 C21 C22 C31 62.7(6) . 2_765
C20 C21 C22 C31 -149.9(4) . 2_765
C7 C21 C22 C23 -7.7(6) . 2_765
C20 C21 C22 C23 139.7(4) . 2_765
C14 C15 C23 C24 137.3(4) 2_765 .
C16 C15 C23 C24 -11.2(5) . .
C14 C15 C23 C31 -60.1(7) 2_765 .
C16 C15 C23 C31 151.4(4) . .
C14 C15 C23 C22 8.3(6) 2_765 2_765
C16 C15 C23 C22 -140.2(4) . 2_765
C9 C8 C24 C25 4.1(6) . .
C7 C8 C24 C25 -136.5(4) 2_765 .
C9 C8 C24 C23 146.8(4) . .
C7 C8 C24 C23 6.3(7) 2_765 .
C15 C23 C24 C8 -135.2(4) . .
C31 C23 C24 C8 63.0(7) . .
C22 C23 C24 C8 -5.3(6) 2_765 .
C15 C23 C24 C25 11.1(5) . .
C31 C23 C24 C25 -150.7(4) . .
C22 C23 C24 C25 141.0(4) 2_765 .
C8 C24 C25 C26 -4.0(6) . .
C23 C24 C25 C26 -151.8(4) . .
C8 C24 C25 C16 140.7(4) . .
C23 C24 C25 C16 -7.1(5) . .
C17 C16 C25 C26 -0.6(6) . .
C15 C16 C25 C26 144.8(4) . .
C17 C16 C25 C24 -145.4(4) . .
C15 C16 C25 C24 0.0(5) . .
C24 C25 C26 C10 4.4(6) . .
C16 C25 C26 C10 -136.3(4) . .
C24 C25 C26 C27 147.1(4) . .
C16 C25 C26 C27 6.4(6) . .
C9 C10 C26 C25 -4.9(6) . .
C11 C10 C26 C25 140.3(4) . .
C9 C10 C26 C27 -152.3(4) . .
C11 C10 C26 C27 -7.1(4) . .
C25 C26 C27 C28 -135.8(4) . .
C10 C26 C27 C28 10.6(4) . .
C25 C26 C27 C38 63.7(6) . .
C10 C26 C27 C38 -149.8(4) . .
C25 C26 C27 C18 -6.1(6) . .
C10 C26 C27 C18 140.3(4) . .
C19 C18 C27 C28 0.8(5) . .
C17 C18 C27 C28 125.2(4) . .
C38 C18 C27 C28 -116.2(4) . .
C19 C18 C27 C26 -123.9(4) . .
C17 C18 C27 C26 0.6(5) . .
C38 C18 C27 C26 119.1(5) . .
C19 C18 C27 C38 117.0(4) . .
C17 C18 C27 C38 -118.5(4) . .
C12 C11 C28 C29 4.6(6) . .
C10 C11 C28 C29 -141.5(4) . .
C12 C11 C28 C27 152.4(4) . .
C10 C11 C28 C27 6.2(4) . .
C26 C27 C28 C29 136.2(4) . .
C38 C27 C28 C29 -62.6(5) . .
C18 C27 C28 C29 5.8(5) . .
C26 C27 C28 C11 -10.3(4) . .
C38 C27 C28 C11 150.9(4) . .
C18 C27 C28 C11 -140.7(3) . .
C11 C28 C29 C30 -4.1(6) . .
C27 C28 C29 C30 -147.1(4) . .
C11 C28 C29 C20 136.0(4) . .
C27 C28 C29 C20 -7.0(6) . .
C19 C20 C29 C28 1.0(6) . .
C21 C20 C29 C28 -144.5(4) . .
C19 C20 C29 C30 145.2(4) . .
C21 C20 C29 C30 -0.2(5) . .
C12 C13 C30 C29 -4.4(6) . .
C14 C13 C30 C29 136.7(4) . .
C12 C13 C30 C22 -147.6(4) . .
C14 C13 C30 C22 -6.4(7) . .
C28 C29 C30 C13 4.1(6) . .
C20 C29 C30 C13 -140.6(4) . .
C28 C29 C30 C22 151.8(4) . .
C20 C29 C30 C22 7.2(5) . .
C21 C22 C30 C13 135.7(4) . .
C31 C22 C30 C13 -61.9(6) 2_765 .
C23 C22 C30 C13 6.0(6) 2_765 .
C21 C22 C30 C29 -11.0(4) . .
C31 C22 C30 C29 151.4(4) 2_765 .
C23 C22 C30 C29 -140.7(4) 2_765 .
C15 C23 C31 C35 -144.0(4) . .
C24 C23 C31 C35 14.4(7) . .
C22 C23 C31 C35 113.3(4) 2_765 .
C15 C23 C31 C32 -1.5(7) . .
C24 C23 C31 C32 157.0(4) . .
C22 C23 C31 C32 -104.1(4) 2_765 .
C15 C23 C31 C22 102.6(5) . 2_765
C24 C23 C31 C22 -98.9(5) . 2_765
C33 O8 C32 O7 4.1(8) . .
C33 O8 C32 C31 -174.2(4) . .
C35 C31 C32 O7 105.3(5) . .
C22 C31 C32 O7 -108.0(5) 2_765 .
C23 C31 C32 O7 -37.1(7) . .
C35 C31 C32 O8 -76.4(5) . .
C22 C31 C32 O8 70.3(5) 2_765 .
C23 C31 C32 O8 141.2(4) . .
C32 O8 C33 C34 87.8(7) . .
C36 O6 C35 O5 6.9(6) . .
C36 O6 C35 C31 -170.9(4) . .
C32 C31 C35 O5 167.5(4) . .
C22 C31 C35 O5 23.3(6) 2_765 .
C23 C31 C35 O5 -49.1(6) . .
C32 C31 C35 O6 -14.7(5) . .
C22 C31 C35 O6 -158.8(3) 2_765 .
C23 C31 C35 O6 128.8(4) . .
C35 O6 C36 C37 -138.4(5) . .
C28 C27 C38 C42 -149.1(4) . .
C26 C27 C38 C42 7.8(6) . .
C18 C27 C38 C42 109.5(4) . .
C28 C27 C38 C39 -7.9(6) . .
C26 C27 C38 C39 149.0(4) . .
C18 C27 C38 C39 -109.2(4) . .
C28 C27 C38 C18 101.3(4) . .
C26 C27 C38 C18 -101.7(4) . .
C19 C18 C38 C42 148.5(4) . .
C17 C18 C38 C42 -10.4(6) . .
C27 C18 C38 C42 -110.2(4) . .
C19 C18 C38 C27 -101.3(5) . .
C17 C18 C38 C27 99.8(4) . .
C19 C18 C38 C39 4.8(6) . .
C17 C18 C38 C39 -154.1(4) . .
C27 C18 C38 C39 106.1(4) . .
C40 O4 C39 O3 2.3(7) . .
C40 O4 C39 C38 -178.4(4) . .
C42 C38 C39 O3 -113.8(5) . .
C27 C38 C39 O3 103.0(5) . .
C18 C38 C39 O3 31.5(7) . .
C42 C38 C39 O4 67.0(5) . .
C27 C38 C39 O4 -76.2(5) . .
C18 C38 C39 O4 -147.7(4) . .
C39 O4 C40 C41 160.3(4) . .
C43 O2 C42 O1 10.8(6) . .
C43 O2 C42 C38 -171.9(4) . .
C27 C38 C42 O1 -12.3(6) . .
C39 C38 C42 O1 -154.0(4) . .
C18 C38 C42 O1 61.2(6) . .
C27 C38 C42 O2 170.5(3) . .
C39 C38 C42 O2 28.8(5) . .
C18 C38 C42 O2 -116.0(4) . .
C42 O2 C43 C44 84.7(5) . .
C9 C1 C45 C46 -10.8(6) 2_765 .
C6 C1 C45 C46 148.1(4) . .
C2 C1 C45 C46 -110.4(4) 2_765 .
C9 C1 C45 C53 -155.3(4) 2_765 .
C6 C1 C45 C53 3.6(6) . .
C2 C1 C45 C53 105.2(4) 2_765 .
C9 C1 C45 C2 99.6(5) 2_765 2_765
C6 C1 C45 C2 -101.5(5) . 2_765
C47 O10 C46 O9 7.6(7) . .
C47 O10 C46 C45 -173.3(4) . .
C53 C45 C46 O9 -170.4(5) . .
C2 C45 C46 O9 -29.3(7) 2_765 .
C1 C45 C46 O9 43.9(7) . .
C53 C45 C46 O10 10.5(6) . .
C2 C45 C46 O10 151.6(4) 2_765 .
C1 C45 C46 O10 -135.2(4) . .
C46 O10 C47 C48 -152.9(5) . .
O10 C47 C48 C52 -162.2(6) . .
O10 C47 C48 C49 18.4(8) . .
C52 C48 C49 C50 2.7(10) . .
C47 C48 C49 C50 -177.8(6) . .
C51 N1 C50 C49 0.1(13) . .
Ag1C N1 C50 C49 151.7(8) 2_566 .
Ag1A N1 C50 C49 173.2(6) . .
Ag1B N1 C50 C49 177.5(6) 2_566 .
C48 C49 C50 N1 -1.2(11) . .
C50 N1 C51 C52 -0.6(16) . .
Ag1C N1 C51 C52 -163.0(10) 2_566 .
Ag1A N1 C51 C52 -174.2(8) . .
Ag1B N1 C51 C52 -177.9(8) 2_566 .
C50 N1 C51 Ag1C 162.4(9) . 2_566
Ag1A N1 C51 Ag1C -11.1(3) . 2_566
C49 C48 C52 C51 -3.1(12) . .
C47 C48 C52 C51 177.4(8) . .
N1 C51 C52 C48 2.2(17) . .
Ag1C C51 C52 C48 -75(4) 2_566 .
C54 O12 C53 O11 6.5(6) . .
C54 O12 C53 C45 -175.2(4) . .
C46 C45 C53 O11 -114.1(5) . .
C2 C45 C53 O11 103.0(5) 2_765 .
C1 C45 C53 O11 31.7(6) . .
C46 C45 C53 O12 67.6(5) . .
C2 C45 C53 O12 -75.3(4) 2_765 .
C1 C45 C53 O12 -146.6(4) . .
C53 O12 C54 C55 74.8(6) . .
O12 C54 C55 C56 -106.6(6) . .
O12 C54 C55 C59 75.3(6) . .
C59 C55 C56 C57 1.8(8) . .
C54 C55 C56 C57 -176.3(5) . .
C58 N2 C57 C56 -0.5(10) . .
Ag1A N2 C57 C56 170.0(5) 2_566 .
Ag1B N2 C57 C56 165.3(5) . .
Ag1C N2 C57 C56 -178.5(6) . .
C55 C56 C57 N2 -0.4(10) . .
C57 N2 C58 C59 -0.1(9) . .
Ag1A N2 C58 C59 -171.1(5) 2_566 .
Ag1B N2 C58 C59 -168.2(5) . .
Ag1C N2 C58 C59 176.8(5) . .
C56 C55 C59 C58 -2.2(8) . .
C54 C55 C59 C58 175.9(5) . .
N2 C58 C59 C55 1.4(9) . .
