#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:18:03 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179889 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/85/7018555.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_7018555
loop_
_publ_author_name
'Jurca, Titel'
'Ouanounou, Sarah'
'Gorelsky, Serge I.'
'Korobkov, Ilia'
'Richeson, Darrin S.'
_publ_section_title
;
 The interplay of metal and supporting ligand in labile coordination to
 pincer complexes of Ag(i).
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4765
_journal_page_last               4771
_journal_paper_doi               10.1039/c2dt12112c
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C54 H64 Ag F3 N3 O3 S'
_chemical_formula_weight         1000.01
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 118.949(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   32.106(3)
_cell_length_b                   20.658(2)
_cell_length_c                   19.954(2)
_cell_measurement_reflns_used    9966
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      28.14
_cell_measurement_theta_min      2.30
_cell_volume                     11581(2)
_computing_cell_refinement       'APEX II, Bruker (2009)'
_computing_data_collection       'APEX II, Bruker (2009)'
_computing_data_reduction        'XPREP, Bruker (2009)'
_computing_molecular_graphics    'SHELXTL, Bruker (2004)'
_computing_publication_material  'SHELXTL, Bruker (2004)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_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  0.0382
_diffrn_reflns_av_sigmaI/netI    0.0294
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            94508
_diffrn_reflns_theta_full        28.54
_diffrn_reflns_theta_max         28.54
_diffrn_reflns_theta_min         1.92
_exptl_absorpt_coefficient_mu    0.433
_exptl_absorpt_correction_T_max  0.9787
_exptl_absorpt_correction_T_min  0.8425
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker (2003)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.147
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             4184
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.095
_refine_diff_density_min         -0.493
_refine_diff_density_rms         0.113
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     614
_refine_ls_number_reflns         14448
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0722
_refine_ls_R_factor_gt           0.0474
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1015P)²+6.3488P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1396
_refine_ls_wR_factor_ref         0.1600
_reflns_number_gt                10528
_reflns_number_total             14448
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt12112c.txt
_cod_data_source_block           dr020
_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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7018555
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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 0.614860(6) 0.687579(10) 0.508172(11) 0.03832(8) Uani 1 1 d . . .
N1 N 0.64179(7) 0.80746(9) 0.53830(12) 0.0322(4) Uani 1 1 d . . .
N2 N 0.69316(7) 0.69997(9) 0.54288(11) 0.0253(4) Uani 1 1 d . . .
N3 N 0.64809(7) 0.59970(10) 0.44525(11) 0.0313(4) Uani 1 1 d . . .
C1 C 0.68609(9) 0.80614(11) 0.58813(14) 0.0291(5) Uani 1 1 d . . .
C2 C 0.71564(8) 0.75449(11) 0.57910(12) 0.0269(4) Uani 1 1 d . . .
C3 C 0.76398(8) 0.76340(13) 0.60605(14) 0.0343(5) Uani 1 1 d . . .
H3A H 0.7789 0.8025 0.6312 0.041 Uiso 1 1 calc R . .
C4 C 0.79024(9) 0.71531(13) 0.59621(15) 0.0371(5) Uani 1 1 d . . .
H4A H 0.8233 0.7209 0.6135 0.044 Uiso 1 1 calc R . .
C5 C 0.76726(8) 0.65851(13) 0.56043(14) 0.0333(5) Uani 1 1 d . . .
H5A H 0.7845 0.6240 0.5540 0.040 Uiso 1 1 calc R . .
C6 C 0.71856(8) 0.65253(11) 0.53407(12) 0.0268(4) Uani 1 1 d . . .
C7 C 0.69261(8) 0.59320(11) 0.49145(13) 0.0277(5) Uani 1 1 d . . .
C8 C 0.71225(9) 0.85212(12) 0.65313(15) 0.0362(5) Uani 1 1 d . . .
C9 C 0.74176(12) 0.82773(16) 0.72567(17) 0.0511(7) Uani 1 1 d . . .
H9A H 0.7433 0.7824 0.7347 0.061 Uiso 1 1 calc R . .
C10 C 0.76918(15) 0.8702(2) 0.7854(2) 0.0705(11) Uani 1 1 d . . .
H10A H 0.7890 0.8537 0.8354 0.085 Uiso 1 1 calc R . .
C11 C 0.76773(15) 0.9352(2) 0.7726(2) 0.0683(11) Uani 1 1 d . . .
H11A H 0.7872 0.9635 0.8132 0.082 Uiso 1 1 calc R . .
C12 C 0.73878(15) 0.95919(17) 0.7024(3) 0.0677(10) Uani 1 1 d . . .
H12A H 0.7378 1.0046 0.6941 0.081 Uiso 1 1 calc R . .
C13 C 0.71006(12) 0.91808(15) 0.6414(2) 0.0526(7) Uani 1 1 d . . .
H13A H 0.6893 0.9356 0.5923 0.063 Uiso 1 1 calc R . .
C14 C 0.72199(8) 0.53368(12) 0.50418(14) 0.0328(5) Uani 1 1 d . . .
C15 C 0.72294(10) 0.50163(14) 0.44396(17) 0.0435(6) Uani 1 1 d . . .
H15A H 0.7048 0.5175 0.3932 0.052 Uiso 1 1 calc R . .
C16 C 0.75057(12) 0.44616(16) 0.4580(2) 0.0573(8) Uani 1 1 d . . .
H16A H 0.7513 0.4243 0.4167 0.069 Uiso 1 1 calc R . .
C17 C 0.77656(13) 0.42301(16) 0.5305(2) 0.0636(9) Uani 1 1 d . . .
H17A H 0.7953 0.3851 0.5396 0.076 Uiso 1 1 calc R . .
C18 C 0.77577(12) 0.45453(16) 0.5913(2) 0.0583(8) Uani 1 1 d . . .
H18A H 0.7936 0.4380 0.6418 0.070 Uiso 1 1 calc R . .
C19 C 0.74893(10) 0.51025(14) 0.57797(16) 0.0432(6) Uani 1 1 d . . .
H19A H 0.7490 0.5325 0.6197 0.052 Uiso 1 1 calc R . .
C20 C 0.60987(9) 0.84887(12) 0.54960(15) 0.0354(5) Uani 1 1 d . . .
C21 C 0.57851(10) 0.89131(14) 0.49252(17) 0.0438(6) Uani 1 1 d . . .
C22 C 0.54615(11) 0.92355(16) 0.5103(2) 0.0541(8) Uani 1 1 d . . .
H22A H 0.5247 0.9540 0.4746 0.065 Uiso 1 1 calc R . .
C23 C 0.54436(12) 0.91284(16) 0.5767(2) 0.0566(8) Uani 1 1 d . . .
H23A H 0.5215 0.9355 0.5849 0.068 Uiso 1 1 calc R . .
C24 C 0.57494(10) 0.86986(14) 0.63228(18) 0.0453(7) Uani 1 1 d . A .
C25 C 0.60759(9) 0.83808(13) 0.61641(16) 0.0380(6) Uani 1 1 d . . .
H25A H 0.6290 0.8080 0.6527 0.046 Uiso 1 1 calc R . .
C26 C 0.57817(12) 0.90325(17) 0.4166(2) 0.0571(8) Uani 1 1 d . . .
C27 C 0.54132(15) 0.9549(2) 0.3677(2) 0.0775(12) Uani 1 1 d . . .
H27A H 0.5094 0.9404 0.3559 0.116 Uiso 1 1 calc R . .
H27B H 0.5424 0.9613 0.3199 0.116 Uiso 1 1 calc R . .
H27C H 0.5487 0.9958 0.3961 0.116 Uiso 1 1 calc R . .
C28 C 0.56628(19) 0.8406(2) 0.3693(2) 0.0850(13) Uani 1 1 d . . .
H28A H 0.5353 0.8243 0.3601 0.128 Uiso 1 1 calc R . .
H28B H 0.5908 0.8081 0.3975 0.128 Uiso 1 1 calc R . .
H28C H 0.5652 0.8495 0.3202 0.128 Uiso 1 1 calc R . .
C29 C 0.62711(14) 0.9293(2) 0.4318(2) 0.0769(12) Uani 1 1 d . . .
H29A H 0.6519 0.8976 0.4620 0.115 Uiso 1 1 calc R . .
H29B H 0.6339 0.9702 0.4601 0.115 Uiso 1 1 calc R . .
H29C H 0.6266 0.9367 0.3829 0.115 Uiso 1 1 calc R . .
C30 C 0.57260(12) 0.85439(17) 0.7055(2) 0.0579(8) Uani 1 1 d . . .
C31 C 0.5383(5) 0.9016(6) 0.7124(8) 0.102(4) Uani 0.50 1 d P A 1
H31A H 0.5138 0.9149 0.6611 0.153 Uiso 0.50 1 calc PR A 1
H31B H 0.5559 0.9398 0.7415 0.153 Uiso 0.50 1 calc PR A 1
H31C H 0.5231 0.8805 0.7390 0.153 Uiso 0.50 1 calc PR A 1
C32 C 0.6196(6) 0.8538(13) 0.7675(9) 0.156(10) Uani 0.50 1 d P A 1
H32A H 0.6315 0.8983 0.7797 0.234 Uiso 0.50 1 calc PR A 1
H32B H 0.6401 0.8286 0.7535 0.234 Uiso 0.50 1 calc PR A 1
H32C H 0.6197 0.8342 0.8123 0.234 Uiso 0.50 1 calc PR A 1
C33 C 0.5517(8) 0.7895(7) 0.6952(11) 0.129(7) Uani 0.50 1 d P A 1
H33A H 0.5181 0.7911 0.6560 0.193 Uiso 0.50 1 calc PR A 1
H33B H 0.5544 0.7746 0.7437 0.193 Uiso 0.50 1 calc PR A 1
H33C H 0.5688 0.7595 0.6789 0.193 Uiso 0.50 1 calc PR A 1
C31' C 0.5710(4) 0.9160(6) 0.7473(6) 0.085(3) Uani 0.50 1 d P A 2
H31D H 0.5436 0.9424 0.7127 0.127 Uiso 0.50 1 calc PR A 2
H31E H 0.6003 0.9408 0.7636 0.127 Uiso 0.50 1 calc PR A 2
H31F H 0.5679 0.9040 0.7923 0.127 Uiso 0.50 1 calc PR A 2
C32' C 0.6173(7) 0.8179(6) 0.7662(9) 0.077(4) Uani 0.50 1 d P A 2
H32D H 0.6209 0.7771 0.7444 0.115 Uiso 0.50 1 calc PR A 2
H32E H 0.6137 0.8087 0.8113 0.115 Uiso 0.50 1 calc PR A 2
H32F H 0.6456 0.8448 0.7812 0.115 Uiso 0.50 1 calc PR A 2
C33' C 0.5303(5) 0.8129(9) 0.6886(10) 0.115(7) Uani 0.50 1 d P A 2
H33D H 0.5012 0.8349 0.6514 0.173 Uiso 0.50 1 calc PR A 2
H33E H 0.5289 0.8053 0.7360 0.173 Uiso 0.50 1 calc PR A 2
H33F H 0.5331 0.7714 0.6674 0.173 Uiso 0.50 1 calc PR A 2
C34 C 0.61972(8) 0.54547(12) 0.40285(14) 0.0325(5) Uani 1 1 d . . .
C35 C 0.58933(8) 0.55108(13) 0.32340(14) 0.0357(5) Uani 1 1 d . . .
C36 C 0.56180(9) 0.49630(15) 0.28923(16) 0.0453(7) Uani 1 1 d . . .
H36A H 0.5411 0.4969 0.2355 0.054 Uiso 1 1 calc R . .
C37 C 0.56300(10) 0.44151(15) 0.32905(18) 0.0494(7) Uani 1 1 d . . .
H37A H 0.5429 0.4062 0.3021 0.059 Uiso 1 1 calc R . .
C38 C 0.59253(9) 0.43610(14) 0.40701(17) 0.0430(6) Uani 1 1 d . . .
C39 C 0.62034(9) 0.49003(13) 0.44238(15) 0.0378(6) Uani 1 1 d . . .
H39A H 0.6407 0.4889 0.4962 0.045 Uiso 1 1 calc R . .
C40 C 0.58757(9) 0.61061(14) 0.27632(15) 0.0411(6) Uani 1 1 d . . .
C41 C 0.57340(13) 0.67154(16) 0.30498(19) 0.0561(8) Uani 1 1 d . . .
H41A H 0.5424 0.6646 0.3020 0.084 Uiso 1 1 calc R . .
H41B H 0.5715 0.7086 0.2730 0.084 Uiso 1 1 calc R . .
H41C H 0.5973 0.6802 0.3582 0.084 Uiso 1 1 calc R . .
C42 C 0.63652(11) 0.62202(17) 0.28160(18) 0.0536(8) Uani 1 1 d . . .
H42A H 0.6457 0.5836 0.2631 0.080 Uiso 1 1 calc R . .
H42B H 0.6603 0.6303 0.3350 0.080 Uiso 1 1 calc R . .
H42C H 0.6347 0.6594 0.2501 0.080 Uiso 1 1 calc R . .
C43 C 0.55180(13) 0.60271(18) 0.19146(18) 0.0607(9) Uani 1 1 d . . .
H43A H 0.5200 0.5949 0.1854 0.091 Uiso 1 1 calc R . .
H43B H 0.5611 0.5659 0.1706 0.091 Uiso 1 1 calc R . .
H43C H 0.5513 0.6422 0.1639 0.091 Uiso 1 1 calc R . .
C44 C 0.59648(12) 0.37448(16) 0.4527(2) 0.0553(8) Uani 1 1 d . . .
C45 C 0.64714(18) 0.3465(2) 0.4830(3) 0.0955(15) Uani 1 1 d . . .
H45A H 0.6521 0.3353 0.4396 0.143 Uiso 1 1 calc R . .
H45B H 0.6507 0.3076 0.5134 0.143 Uiso 1 1 calc R . .
H45C H 0.6707 0.3788 0.5151 0.143 Uiso 1 1 calc R . .
C46 C 0.5616(2) 0.3227(3) 0.4071(4) 0.138(3) Uani 1 1 d . . .
H46A H 0.5652 0.3119 0.3623 0.206 Uiso 1 1 calc R . .
H46B H 0.5292 0.3383 0.3901 0.206 Uiso 1 1 calc R . .
H46C H 0.5676 0.2841 0.4390 0.206 Uiso 1 1 calc R . .
C47 C 0.5918(2) 0.3903(3) 0.5237(3) 0.1018(17) Uani 1 1 d . . .
H47A H 0.5602 0.4086 0.5078 0.153 Uiso 1 1 calc R . .
H47B H 0.6162 0.4218 0.5555 0.153 Uiso 1 1 calc R . .
H47C H 0.5958 0.3506 0.5532 0.153 Uiso 1 1 calc R . .
C48 C 0.50919(12) 0.74848(19) 0.4678(3) 0.0769(12) Uani 1 1 d . . .
H48A H 0.4769 0.7410 0.4593 0.115 Uiso 1 1 calc R . .
H48B H 0.5077 0.7678 0.4218 0.115 Uiso 1 1 calc R . .
H48C H 0.5259 0.7780 0.5112 0.115 Uiso 1 1 calc R . .
C49 C 0.53497(10) 0.68646(17) 0.4845(2) 0.0499(7) Uani 1 1 d . . .
C50 C 0.54708(10) 0.63149(17) 0.49564(18) 0.0491(7) Uani 1 1 d . . .
C51 C 0.55314(14) 0.56106(18) 0.5080(3) 0.0693(10) Uani 1 1 d . . .
H51A H 0.5235 0.5420 0.5016 0.104 Uiso 1 1 calc R . .
H51B H 0.5789 0.5524 0.5599 0.104 Uiso 1 1 calc R . .
H51C H 0.5611 0.5419 0.4706 0.104 Uiso 1 1 calc R . .
C52 C 0.64360(14) 0.60161(18) 0.7351(2) 0.0594(8) Uani 1 1 d . . .
F1 F 0.59773(9) 0.60928(16) 0.68523(15) 0.0955(8) Uani 1 1 d . . .
F2 F 0.65146(11) 0.63351(15) 0.79704(14) 0.1015(9) Uani 1 1 d . . .
F3 F 0.65054(12) 0.53981(13) 0.75308(19) 0.1072(10) Uani 1 1 d . . .
S2 S 0.68109(3) 0.62961(4) 0.69602(4) 0.04422(17) Uani 1 1 d . . .
O1 O 0.66715(11) 0.69538(10) 0.67692(16) 0.0643(7) Uani 1 1 d . . .
O2 O 0.66855(9) 0.58756(11) 0.63174(14) 0.0604(6) Uani 1 1 d . . .
O3 O 0.72797(10) 0.61973(15) 0.75813(16) 0.0763(7) Uani 1 1 d . . .
C53 C 0.75370(18) 0.2475(2) 0.5321(2) 0.0785(12) Uani 1 1 d . . .
C54 C 0.7588(3) 0.2426(4) 0.6059(4) 0.135(2) Uani 1 1 d . . .
H54A H 0.7576 0.2859 0.6248 0.203 Uiso 1 1 calc R . .
H54B H 0.7895 0.2224 0.6403 0.203 Uiso 1 1 calc R . .
H54C H 0.7330 0.2161 0.6040 0.203 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'
S S 0.1246 0.1234 '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
N2 Ag1 C50 155.49(10) .
N2 Ag1 C49 171.94(9) .
C50 Ag1 C49 28.96(10) .
N2 Ag1 N1 68.11(7) .
C50 Ag1 N1 132.61(9) .
C49 Ag1 N1 105.20(9) .
C1 N1 C20 120.0(2) .
C1 N1 Ag1 106.23(15) .
C20 N1 Ag1 114.97(15) .
C6 N2 C2 118.73(19) .
C6 N2 Ag1 122.06(15) .
C2 N2 Ag1 118.98(14) .
C7 N3 C34 120.8(2) .
N1 C1 C2 116.9(2) .
N1 C1 C8 127.3(2) .
C2 C1 C8 115.8(2) .
N2 C2 C3 121.9(2) .
N2 C2 C1 117.11(19) .
C3 C2 C1 121.0(2) .
C4 C3 C2 119.8(2) .
C3 C4 C5 118.3(2) .
C6 C5 C4 119.3(2) .
N2 C6 C5 121.9(2) .
N2 C6 C7 117.86(19) .
C5 C6 C7 120.2(2) .
N3 C7 C14 127.0(2) .
N3 C7 C6 116.4(2) .
C14 C7 C6 116.47(19) .
C13 C8 C9 119.3(3) .
C13 C8 C1 121.3(3) .
C9 C8 C1 119.2(2) .
C10 C9 C8 119.5(3) .
C11 C10 C9 120.6(4) .
C12 C11 C10 120.1(3) .
C11 C12 C13 120.8(3) .
C8 C13 C12 119.5(3) .
C15 C14 C19 119.4(2) .
C15 C14 C7 121.5(2) .
C19 C14 C7 119.1(2) .
C14 C15 C16 119.9(3) .
C17 C16 C15 120.5(3) .
C16 C17 C18 120.2(3) .
C17 C18 C19 119.7(3) .
C18 C19 C14 120.3(3) .
C25 C20 C21 121.9(2) .
C25 C20 N1 115.4(2) .
C21 C20 N1 122.1(2) .
C20 C21 C22 114.6(3) .
C20 C21 C26 124.2(2) .
C22 C21 C26 121.2(3) .
C23 C22 C21 123.0(3) .
C22 C23 C24 122.1(3) .
C23 C24 C25 115.9(3) .
C23 C24 C30 123.6(3) .
C25 C24 C30 120.4(3) .
C20 C25 C24 122.4(3) .
C28 C26 C21 110.7(3) .
C28 C26 C29 109.9(3) .
C21 C26 C29 110.0(3) .
C28 C26 C27 107.9(3) .
C21 C26 C27 112.0(3) .
C29 C26 C27 106.2(3) .
C33 C30 C32 109.6(14) .
C33 C30 C33' 31.2(9) .
C32 C30 C33' 131.1(12) .
C33 C30 C31' 134.3(8) .
C32 C30 C31' 80.4(11) .
C33' C30 C31' 109.2(8) .
C33 C30 C32' 81.5(10) .
C32 C30 C32' 28.6(12) .
C33' C30 C32' 107.0(10) .
C31' C30 C32' 103.9(7) .
C33 C30 C24 106.7(6) .
C32 C30 C24 108.2(8) .
C33' C30 C24 111.3(7) .
C31' C30 C24 112.1(5) .
C32' C30 C24 113.1(6) .
C33 C30 C31 107.2(9) .
C32 C30 C31 115.9(11) .
C33' C30 C31 76.7(9) .
C31' C30 C31 37.4(6) .
C32' C30 C31 132.4(8) .
C24 C30 C31 108.9(5) .
C39 C34 C35 121.4(2) .
C39 C34 N3 118.7(2) .
C35 C34 N3 119.8(2) .
C36 C35 C34 114.4(2) .
C36 C35 C40 121.7(2) .
C34 C35 C40 123.8(2) .
C37 C36 C35 123.5(3) .
C36 C37 C38 122.1(3) .
C37 C38 C39 115.5(3) .
C37 C38 C44 123.4(3) .
C39 C38 C44 121.1(3) .
C34 C39 C38 123.1(3) .
C43 C40 C35 112.3(2) .
C43 C40 C41 107.5(3) .
C35 C40 C41 111.0(2) .
C43 C40 C42 106.7(3) .
C35 C40 C42 110.3(2) .
C41 C40 C42 108.9(3) .
C46 C44 C47 109.6(4) .
C46 C44 C38 114.1(3) .
C47 C44 C38 110.8(3) .
C46 C44 C45 107.8(4) .
C47 C44 C45 105.9(4) .
C38 C44 C45 108.1(3) .
C50 C49 C48 166.5(3) .
C50 C49 Ag1 75.4(2) .
C48 C49 Ag1 118.1(2) .
C49 C50 C51 169.1(3) .
C49 C50 Ag1 75.7(2) .
C51 C50 Ag1 115.2(2) .
F3 C52 F2 107.5(3) .
F3 C52 F1 107.5(3) .
F2 C52 F1 106.5(3) .
F3 C52 S2 111.4(3) .
F2 C52 S2 112.3(3) .
F1 C52 S2 111.4(2) .
O1 S2 O2 114.98(16) .
O1 S2 O3 115.58(18) .
O2 S2 O3 114.27(17) .
O1 S2 C52 103.36(16) .
O2 S2 C52 103.50(16) .
O3 S2 C52 102.77(17) .
C53 C53 C54 175.7(7) 7_656
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N2 2.2757(19) .
Ag1 C50 2.369(3) .
Ag1 C49 2.373(3) .
Ag1 N1 2.596(2) .
N1 C1 1.282(3) .
N1 C20 1.434(3) .
N2 C6 1.340(3) .
N2 C2 1.344(3) .
N3 C7 1.279(3) .
N3 C34 1.433(3) .
C1 C2 1.496(3) .
C1 C8 1.495(3) .
C2 C3 1.387(3) .
C3 C4 1.377(4) .
C4 C5 1.386(4) .
C5 C6 1.393(3) .
C6 C7 1.494(3) .
C7 C14 1.495(3) .
C8 C13 1.379(4) .
C8 C9 1.385(4) .
C9 C10 1.395(4) .
C10 C11 1.363(6) .
C11 C12 1.345(6) .
C12 C13 1.403(5) .
C14 C15 1.385(4) .
C14 C19 1.385(4) .
C15 C16 1.392(4) .
C16 C17 1.360(5) .
C17 C18 1.386(5) .
C18 C19 1.384(4) .
C20 C25 1.388(4) .
C20 C21 1.403(4) .
C21 C22 1.416(4) .
C21 C26 1.529(4) .
C22 C23 1.372(5) .
C23 C24 1.389(5) .
C24 C25 1.397(4) .
C24 C30 1.532(4) .
C26 C28 1.537(6) .
C26 C29 1.546(5) .
C26 C27 1.540(4) .
C30 C33 1.468(16) .
C30 C32 1.414(16) .
C30 C33' 1.500(13) .
C30 C31' 1.536(9) .
C30 C32' 1.554(17) .
C30 C31 1.527(11) .
C34 C39 1.385(4) .
C34 C35 1.408(3) .
C35 C36 1.394(4) .
C35 C40 1.532(4) .
C36 C37 1.373(4) .
C37 C38 1.380(4) .
C38 C39 1.388(4) .
C38 C44 1.534(4) .
C40 C43 1.526(4) .
C40 C41 1.539(4) .
C40 C42 1.541(4) .
C44 C46 1.496(6) .
C44 C47 1.531(6) .
C44 C45 1.548(6) .
C48 C49 1.473(5) .
C49 C50 1.186(4) .
C50 C51 1.473(5) .
C52 F3 1.315(4) .
C52 F2 1.312(4) .
C52 F1 1.329(4) .
C52 S2 1.817(3) .
S2 O1 1.424(2) .
S2 O2 1.436(2) .
S2 O3 1.427(3) .
C53 C53 1.189(9) 7_656
C53 C54 1.403(7) .
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
N2 Ag1 N1 C1 -29.31(15)
C50 Ag1 N1 C1 135.00(18)
C49 Ag1 N1 C1 145.93(17)
N2 Ag1 N1 C20 -164.52(19)
C50 Ag1 N1 C20 -0.2(2)
C49 Ag1 N1 C20 10.7(2)
C50 Ag1 N2 C6 40.3(3)
C49 Ag1 N2 C6 156.9(7)
N1 Ag1 N2 C6 -168.36(18)
C50 Ag1 N2 C2 -134.1(2)
C49 Ag1 N2 C2 -17.5(8)
N1 Ag1 N2 C2 17.25(15)
C20 N1 C1 C2 170.5(2)
Ag1 N1 C1 C2 38.0(2)
C20 N1 C1 C8 -12.0(4)
Ag1 N1 C1 C8 -144.5(2)
C6 N2 C2 C3 1.3(3)
Ag1 N2 C2 C3 175.90(17)
C6 N2 C2 C1 -179.7(2)
Ag1 N2 C2 C1 -5.1(3)
N1 C1 C2 N2 -26.5(3)
C8 C1 C2 N2 155.7(2)
N1 C1 C2 C3 152.5(2)
C8 C1 C2 C3 -25.3(3)
N2 C2 C3 C4 -0.3(4)
C1 C2 C3 C4 -179.3(2)
C2 C3 C4 C5 -1.1(4)
C3 C4 C5 C6 1.6(4)
C2 N2 C6 C5 -0.8(3)
Ag1 N2 C6 C5 -175.22(17)
C2 N2 C6 C7 -178.09(19)
Ag1 N2 C6 C7 7.5(3)
C4 C5 C6 N2 -0.7(4)
C4 C5 C6 C7 176.6(2)
C34 N3 C7 C14 5.1(4)
C34 N3 C7 C6 -178.6(2)
N2 C6 C7 N3 23.0(3)
C5 C6 C7 N3 -154.3(2)
N2 C6 C7 C14 -160.3(2)
C5 C6 C7 C14 22.4(3)
N1 C1 C8 C13 -52.5(4)
C2 C1 C8 C13 125.0(3)
N1 C1 C8 C9 131.9(3)
C2 C1 C8 C9 -50.6(3)
C13 C8 C9 C10 -0.8(5)
C1 C8 C9 C10 174.9(3)
C8 C9 C10 C11 -1.1(5)
C9 C10 C11 C12 1.8(6)
C10 C11 C12 C13 -0.6(6)
C9 C8 C13 C12 1.9(5)
C1 C8 C13 C12 -173.7(3)
C11 C12 C13 C8 -1.3(5)
N3 C7 C14 C15 53.6(4)
C6 C7 C14 C15 -122.7(3)
N3 C7 C14 C19 -126.6(3)
C6 C7 C14 C19 57.1(3)
C19 C14 C15 C16 0.5(4)
C7 C14 C15 C16 -179.7(3)
C14 C15 C16 C17 0.2(5)
C15 C16 C17 C18 0.0(5)
C16 C17 C18 C19 -0.9(5)
C17 C18 C19 C14 1.6(5)
C15 C14 C19 C18 -1.4(4)
C7 C14 C19 C18 178.8(3)
C1 N1 C20 C25 -58.5(3)
Ag1 N1 C20 C25 70.1(3)
C1 N1 C20 C21 129.6(3)
Ag1 N1 C20 C21 -101.7(2)
C25 C20 C21 C22 2.4(4)
N1 C20 C21 C22 173.7(3)
C25 C20 C21 C26 -177.7(3)
N1 C20 C21 C26 -6.4(4)
C20 C21 C22 C23 -2.0(5)
C26 C21 C22 C23 178.1(3)
C21 C22 C23 C24 1.0(6)
C22 C23 C24 C25 -0.1(5)
C22 C23 C24 C30 -177.2(3)
C21 C20 C25 C24 -1.7(4)
N1 C20 C25 C24 -173.6(2)
C23 C24 C25 C20 0.5(4)
C30 C24 C25 C20 177.7(3)
C20 C21 C26 C28 62.3(4)
C22 C21 C26 C28 -117.8(4)
C20 C21 C26 C29 -59.3(4)
C22 C21 C26 C29 120.6(3)
C20 C21 C26 C27 -177.2(3)
C22 C21 C26 C27 2.7(5)
C23 C24 C30 C33 105.6(9)
C25 C24 C30 C33 -71.3(9)
C23 C24 C30 C32 -136.5(11)
C25 C24 C30 C32 46.6(12)
C23 C24 C30 C33' 73.0(9)
C25 C24 C30 C33' -104.0(8)
C23 C24 C30 C31' -49.7(6)
C25 C24 C30 C31' 133.4(6)
C23 C24 C30 C32' -166.6(7)
C25 C24 C30 C32' 16.4(7)
C23 C24 C30 C31 -9.7(8)
C25 C24 C30 C31 173.3(7)
C7 N3 C34 C39 53.6(3)
C7 N3 C34 C35 -131.1(2)
C39 C34 C35 C36 -1.7(4)
N3 C34 C35 C36 -176.9(2)
C39 C34 C35 C40 -179.0(2)
N3 C34 C35 C40 5.8(4)
C34 C35 C36 C37 1.3(4)
C40 C35 C36 C37 178.7(3)
C35 C36 C37 C38 -1.0(5)
C36 C37 C38 C39 0.9(4)
C36 C37 C38 C44 -177.0(3)
C35 C34 C39 C38 1.8(4)
N3 C34 C39 C38 177.0(2)
C37 C38 C39 C34 -1.3(4)
C44 C38 C39 C34 176.7(3)
C36 C35 C40 C43 2.1(4)
C34 C35 C40 C43 179.2(3)
C36 C35 C40 C41 122.4(3)
C34 C35 C40 C41 -60.5(3)
C36 C35 C40 C42 -116.8(3)
C34 C35 C40 C42 60.3(3)
C37 C38 C44 C46 -6.3(6)
C39 C38 C44 C46 175.9(4)
C37 C38 C44 C47 -130.7(4)
C39 C38 C44 C47 51.5(4)
C37 C38 C44 C45 113.6(4)
C39 C38 C44 C45 -64.2(4)
N2 Ag1 C49 C50 -130.0(6)
N1 Ag1 C49 C50 -163.3(2)
N2 Ag1 C49 C48 50.4(9)
C50 Ag1 C49 C48 -179.6(4)
N1 Ag1 C49 C48 17.2(3)
C48 C49 C50 C51 -5(3)
Ag1 C49 C50 C51 177(2)
C48 C49 C50 Ag1 178(100)
N2 Ag1 C50 C49 165.0(2)
N1 Ag1 C50 C49 22.2(3)
N2 Ag1 C50 C51 -14.3(4)
C49 Ag1 C50 C51 -179.3(4)
N1 Ag1 C50 C51 -157.1(2)
F3 C52 S2 O1 177.3(3)
F2 C52 S2 O1 -62.0(3)
F1 C52 S2 O1 57.3(3)
F3 C52 S2 O2 57.1(3)
F2 C52 S2 O2 177.8(3)
F1 C52 S2 O2 -62.9(3)
F3 C52 S2 O3 -62.1(3)
F2 C52 S2 O3 58.6(3)
F1 C52 S2 O3 177.9(3)
