# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_AB6-536_exp_1
_database_code_depnum_ccdc_archive 'CCDC 1495341'
_audit_update_record             
;
2016-07-22 deposited with the CCDC.
2016-10-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C58 H80 Ag N4, B F4, C4 H10 O'
_chemical_formula_sum            'C62 H90 Ag B F4 N4 O'
_chemical_formula_weight         1102.05

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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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'
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.5877(4)
_cell_length_b                   19.4556(6)
_cell_length_c                   23.8843(9)
_cell_angle_alpha                90
_cell_angle_beta                 101.506(3)
_cell_angle_gamma                90
_cell_volume                     6187.1(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    12641
_cell_measurement_theta_min      3.7860
_cell_measurement_theta_max      25.3530

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.183
_exptl_crystal_F_000             2344
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.16
_exptl_absorpt_coefficient_mu    0.378
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.46539
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.7b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_oxdiff_exptl_absorpt_empirical_full_min 0.539
_oxdiff_exptl_absorpt_empirical_full_max 1.992
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_ambient_environment      air
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Pro: Kappa single'
_diffrn_detector                 'HPAD Dectris Pilatus 200K'
_diffrn_reflns_number            75741
_diffrn_reflns_av_unetI/netI     0.0730
_diffrn_reflns_av_R_equivalents  0.0714
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         3.494
_diffrn_reflns_theta_max         30.032
_diffrn_reflns_theta_full        26.000
_diffrn_measured_fraction_theta_max 0.884
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.884
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.884
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             16008
_reflns_number_gt                10183
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'CrysAlisPro 1.171.39.7b (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.7b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.7b (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXLT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2015)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0721P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         16008
_refine_ls_number_parameters     770
_refine_ls_number_restraints     174
_refine_ls_R_factor_all          0.0940
_refine_ls_R_factor_gt           0.0492
_refine_ls_wR_factor_ref         0.1315
_refine_ls_wR_factor_gt          0.1181
_refine_ls_goodness_of_fit_ref   0.991
_refine_ls_restrained_S_all      1.060
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Ag1 Ag 0.31936(2) 0.73289(2) 0.34489(2) 0.03812(8) Uani 1 1 d . . . . .
N2 N 0.41704(13) 0.58509(9) 0.34840(8) 0.0392(4) Uani 1 1 d . . . . .
C2 C 0.29362(18) 0.50975(13) 0.33177(12) 0.0478(6) Uani 1 1 d . . . . .
N1 N 0.25776(13) 0.57697(10) 0.33364(9) 0.0421(5) Uani 1 1 d . . . . .
C3 C 0.39455(18) 0.51529(12) 0.34114(11) 0.0460(6) Uani 1 1 d . . . . .
N3 N 0.36528(14) 0.88341(10) 0.38659(8) 0.0423(5) Uani 1 1 d . . . . .
C4 C 0.15131(16) 0.59278(12) 0.32195(12) 0.0465(6) Uani 1 1 d . . . . .
C1 C 0.33319(15) 0.62416(12) 0.34340(9) 0.0366(5) Uani 1 1 d . . . . .
N4 N 0.23695(14) 0.88566(10) 0.31919(9) 0.0447(5) Uani 1 1 d . . . . .
C6 C 0.09753(19) 0.58200(14) 0.36535(13) 0.0565(7) Uani 1 1 d . . . . .
C9 C 0.0050(2) 0.62860(16) 0.25617(15) 0.0658(8) Uani 1 1 d . . . . .
H9 H -0.0265 0.6446 0.2204 0.079 Uiso 1 1 calc R U . . .
C8 C -0.0501(2) 0.61924(17) 0.29752(17) 0.0735(10) Uani 1 1 d . . . . .
H8 H -0.1185 0.6289 0.2894 0.088 Uiso 1 1 calc R U . . .
C7 C -0.0061(2) 0.59583(16) 0.35092(17) 0.0714(9) Uani 1 1 d . . . . .
H7 H -0.0456 0.5890 0.3781 0.086 Uiso 1 1 calc R U . . .
C17 C 0.51855(16) 0.61211(12) 0.35333(11) 0.0433(6) Uani 1 1 d . . . . .
C10 C 0.10779(18) 0.61458(13) 0.26650(12) 0.0509(6) Uani 1 1 d . . . . .
C11 C 0.1460(2) 0.55709(17) 0.42427(14) 0.0679(8) Uani 1 1 d . . . . .
H01I H 0.2113 0.5377 0.4214 0.081 Uiso 1 1 calc R U . . .
C12 C 0.0866(4) 0.5003(3) 0.4453(2) 0.139(2) Uani 1 1 d . . . . .
H3AA H 0.0218 0.5174 0.4487 0.209 Uiso 1 1 calc R U . . .
HJ H 0.1218 0.4846 0.4820 0.209 Uiso 1 1 calc R U . . .
HK H 0.0785 0.4628 0.4186 0.209 Uiso 1 1 calc R U . . .
C13 C 0.1658(5) 0.6152(3) 0.4657(2) 0.143(2) Uani 1 1 d . . . . .
H4AA H 0.2113 0.6472 0.4536 0.215 Uiso 1 1 calc R U . . .
HL H 0.1952 0.5978 0.5029 0.215 Uiso 1 1 calc R U . . .
HM H 0.1038 0.6381 0.4673 0.215 Uiso 1 1 calc R U . . .
C14 C 0.1667(2) 0.61980(15) 0.21944(13) 0.0600(7) Uani 1 1 d . . . . .
H14 H 0.2381 0.6151 0.2367 0.072 Uiso 1 1 calc R U . . .
C16 C 0.1524(3) 0.6880(2) 0.18889(18) 0.0995(12) Uani 1 1 d . . . . .
H01N H 0.0829 0.6937 0.1714 0.149 Uiso 1 1 calc R U . . .
H01O H 0.1924 0.6892 0.1600 0.149 Uiso 1 1 calc R U . . .
H01P H 0.1728 0.7244 0.2158 0.149 Uiso 1 1 calc R U . . .
C18 C 0.57943(18) 0.61710(13) 0.40750(12) 0.0513(6) Uani 1 1 d . . . . .
C19 C 0.67577(19) 0.64405(16) 0.40986(15) 0.0657(8) Uani 1 1 d . . . . .
H19 H 0.7187 0.6495 0.4451 0.079 Uiso 1 1 calc R U . . .
C15 C 0.1384(4) 0.5611(2) 0.17712(18) 0.1117(14) Uani 1 1 d . . . . .
H01 H 0.1542 0.5180 0.1964 0.168 Uiso 1 1 calc R U . . .
HB H 0.1755 0.5652 0.1470 0.168 Uiso 1 1 calc R U . . .
HC H 0.0678 0.5630 0.1612 0.168 Uiso 1 1 calc R U . . .
C50 C 0.3345(3) 0.84449(19) 0.49857(13) 0.0751(9) Uani 1 1 d . . . . .
H50 H 0.2856 0.8589 0.4646 0.090 Uiso 1 1 calc R U . . .
C68 C 0.3853(2) 1.00808(14) 0.41855(13) 0.0625(7) Uani 1 1 d . . . . .
H00D H 0.3796 0.9999 0.4574 0.094 Uiso 1 1 calc R U . . .
H00E H 0.3549 1.0514 0.4060 0.094 Uiso 1 1 calc R U . . .
H00F H 0.4550 1.0090 0.4161 0.094 Uiso 1 1 calc R U . . .
C67 C 0.2350(3) 0.96285(19) 0.15908(18) 0.0916(11) Uani 1 1 d . . . . .
H01F H 0.1986 0.9474 0.1226 0.137 Uiso 1 1 calc R U . . .
H01G H 0.2976 0.9828 0.1546 0.137 Uiso 1 1 calc R U . . .
H01H H 0.1960 0.9967 0.1742 0.137 Uiso 1 1 calc R U . . .
C66 C 0.3060(3) 0.84553(19) 0.1730(2) 0.1109(16) Uani 1 1 d . . . . .
H01Q H 0.3304 0.8113 0.2014 0.166 Uiso 1 1 calc R U . . .
H01R H 0.3612 0.8641 0.1583 0.166 Uiso 1 1 calc R U . . .
H01S H 0.2586 0.8250 0.1424 0.166 Uiso 1 1 calc R U . . .
C65 C 0.2552(2) 0.90254(14) 0.19970(13) 0.0577(7) Uani 1 1 d . . . . .
H65 H 0.3017 0.9179 0.2342 0.069 Uiso 1 1 calc R U . . .
C64 C 0.0552(4) 0.7696(2) 0.3744(2) 0.1135(16) Uani 1 1 d . . . . .
H01T H -0.0022 0.7452 0.3540 0.170 Uiso 1 1 calc R U . . .
H01U H 0.0535 0.7702 0.4144 0.170 Uiso 1 1 calc R U . . .
H01V H 0.1155 0.7472 0.3689 0.170 Uiso 1 1 calc R U . . .
C63 C -0.0409(5) 0.8774(3) 0.3640(3) 0.174(3) Uani 1 1 d . . . . .
H6AA H -0.0455 0.9228 0.3480 0.262 Uiso 1 1 calc R U . . .
HP H -0.0375 0.8804 0.4045 0.262 Uiso 1 1 calc R U . . .
HQ H -0.0991 0.8513 0.3468 0.262 Uiso 1 1 calc R U . . .
C62 C 0.0535(2) 0.84196(16) 0.35256(15) 0.0674(8) Uani 1 1 d . . . . .
H62 H 0.1115 0.8659 0.3752 0.081 Uiso 1 1 calc R U . . .
C61 C 0.06369(19) 0.84546(13) 0.29071(13) 0.0534(7) Uani 1 1 d . . . . .
C60 C -0.0168(2) 0.82938(15) 0.24678(16) 0.0655(8) Uani 1 1 d . . . . .
H60 H -0.0763 0.8135 0.2559 0.079 Uiso 1 1 calc R U . . .
C59 C -0.0109(2) 0.83631(17) 0.19076(16) 0.0703(9) Uani 1 1 d . . . . .
H59 H -0.0657 0.8249 0.1623 0.084 Uiso 1 1 calc R U . . .
C58 C 0.0765(2) 0.86019(16) 0.17609(13) 0.0623(8) Uani 1 1 d . . . . .
H58 H 0.0791 0.8656 0.1377 0.075 Uiso 1 1 calc R U . . .
C57 C 0.15994(18) 0.87625(13) 0.21752(12) 0.0496(6) Uani 1 1 d . . . . .
C56 C 0.15240(17) 0.86688(12) 0.27462(11) 0.0457(6) Uani 1 1 d . . . . .
C55 C 0.6503(3) 0.9327(2) 0.3560(2) 0.1080(14) Uani 1 1 d . . . . .
H01W H 0.6490 0.9698 0.3824 0.162 Uiso 1 1 calc R U . . .
H01X H 0.6480 0.9510 0.3184 0.162 Uiso 1 1 calc R U . . .
H01Y H 0.7109 0.9066 0.3677 0.162 Uiso 1 1 calc R U . . .
C54 C 0.5648(4) 0.8239(2) 0.3169(2) 0.1165(15) Uani 1 1 d . . . . .
H1AA H 0.6246 0.7981 0.3317 0.175 Uiso 1 1 calc R U . . .
HF H 0.5666 0.8394 0.2790 0.175 Uiso 1 1 calc R U . . .
HG H 0.5070 0.7952 0.3159 0.175 Uiso 1 1 calc R U . . .
C53 C 0.5589(2) 0.88572(16) 0.35527(15) 0.0676(8) Uani 1 1 d . . . . .
H01D H 0.4989 0.9119 0.3380 0.081 Uiso 1 1 calc R U . . .
C52 C 0.3039(4) 0.7743(3) 0.5155(3) 0.153(3) Uani 1 1 d . . . . .
H5AA H 0.2959 0.7441 0.4832 0.230 Uiso 1 1 calc R U . . .
HN H 0.2416 0.7777 0.5284 0.230 Uiso 1 1 calc R U . . .
HO H 0.3549 0.7565 0.5458 0.230 Uiso 1 1 calc R U . . .
C51 C 0.3282(4) 0.8959(3) 0.5468(2) 0.1270(17) Uani 1 1 d . . . . .
H0AA H 0.3425 0.9413 0.5349 0.191 Uiso 1 1 calc R U . . .
HD H 0.3764 0.8835 0.5804 0.191 Uiso 1 1 calc R U . . .
HE H 0.2619 0.8948 0.5550 0.191 Uiso 1 1 calc R U . . .
C69 C 0.1849(2) 1.01150(15) 0.31476(15) 0.0748(9) Uani 1 1 d . . . . .
H00G H 0.1904 1.0193 0.2758 0.112 Uiso 1 1 calc R U . . .
H00H H 0.2044 1.0523 0.3367 0.112 Uiso 1 1 calc R U . . .
H00I H 0.1167 1.0002 0.3162 0.112 Uiso 1 1 calc R U . . .
C49 C 0.5464(2) 0.86451(14) 0.41381(13) 0.0576(7) Uani 1 1 d . . . . .
C48 C 0.6269(2) 0.84526(18) 0.45586(18) 0.0787(10) Uani 1 1 d . . . . .
H01E H 0.6908 0.8443 0.4474 0.094 Uiso 1 1 calc R U . . .
C47 C 0.6153(3) 0.82746(19) 0.50971(18) 0.0879(12) Uani 1 1 d . . . . .
H01J H 0.6714 0.8157 0.5372 0.105 Uiso 1 1 calc R U . . .
C46 C 0.5228(3) 0.82671(17) 0.52350(14) 0.0788(10) Uani 1 1 d . . . . .
H46 H 0.5166 0.8143 0.5602 0.095 Uiso 1 1 calc R U . . .
C45 C 0.4368(2) 0.84436(15) 0.48319(12) 0.0603(7) Uani 1 1 d . . . . .
C44 C 0.45133(18) 0.86164(12) 0.42852(11) 0.0476(6) Uani 1 1 d . . . . .
C43 C 0.2528(2) 0.95300(13) 0.33913(12) 0.0514(6) Uani 1 1 d . . . . .
C42 C 0.33325(19) 0.95193(12) 0.38136(11) 0.0481(6) Uani 1 1 d . . . . .
C41 C 0.30560(16) 0.84153(12) 0.34851(9) 0.0391(5) Uani 1 1 d . . . . .
C30 C 0.4728(2) 0.46060(14) 0.34277(15) 0.0667(8) Uani 1 1 d . . . . .
H00A H 0.5078 0.4678 0.3121 0.100 Uiso 1 1 calc R U . . .
H00B H 0.4411 0.4163 0.3386 0.100 Uiso 1 1 calc R U . . .
H00C H 0.5196 0.4627 0.3786 0.100 Uiso 1 1 calc R U . . .
C29 C 0.2279(2) 0.44773(15) 0.32070(17) 0.0725(9) Uani 1 1 d . . . . .
H00J H 0.2226 0.4268 0.3564 0.109 Uiso 1 1 calc R U . . .
H00M H 0.2564 0.4155 0.2980 0.109 Uiso 1 1 calc R U . . .
H00N H 0.1623 0.4611 0.3006 0.109 Uiso 1 1 calc R U . . .
C28 C 0.5384(3) 0.5737(2) 0.20583(17) 0.0941(12) Uani 1 1 d . . . . .
H01K H 0.5920 0.6002 0.1959 0.141 Uiso 1 1 calc R U . . .
H01L H 0.4913 0.5615 0.1717 0.141 Uiso 1 1 calc R U . . .
H01M H 0.5653 0.5327 0.2254 0.141 Uiso 1 1 calc R U . . .
C27 C 0.4496(3) 0.68445(18) 0.21557(14) 0.0802(10) Uani 1 1 d . . . . .
H01A H 0.4109 0.7089 0.2386 0.120 Uiso 1 1 calc R U . . .
H01B H 0.4087 0.6757 0.1786 0.120 Uiso 1 1 calc R U . . .
H01C H 0.5066 0.7116 0.2114 0.120 Uiso 1 1 calc R U . . .
C26 C 0.4856(2) 0.61596(16) 0.24454(12) 0.0606(7) Uani 1 1 d . . . . .
H26 H 0.4260 0.5902 0.2497 0.073 Uiso 1 1 calc R U . . .
C25 C 0.6261(3) 0.5545(3) 0.50162(19) 0.1179(16) Uani 1 1 d . . . . .
H01Z H 0.6489 0.5167 0.4817 0.177 Uiso 1 1 calc R U . . .
H H 0.5986 0.5373 0.5329 0.177 Uiso 1 1 calc R U . . .
HA H 0.6816 0.5844 0.5160 0.177 Uiso 1 1 calc R U . . .
C24 C 0.5065(5) 0.6535(3) 0.4909(2) 0.141(2) Uani 1 1 d . . . . .
H2AA H 0.5613 0.6827 0.5079 0.212 Uiso 1 1 calc R U . . .
HH H 0.4738 0.6361 0.5201 0.212 Uiso 1 1 calc R U . . .
HI H 0.4592 0.6793 0.4637 0.212 Uiso 1 1 calc R U . . .
C23 C 0.5460(2) 0.59410(16) 0.46104(13) 0.0631(8) Uani 1 1 d . . . . .
H23 H 0.4896 0.5625 0.4490 0.076 Uiso 1 1 calc R U . . .
C22 C 0.55000(18) 0.62779(13) 0.30307(12) 0.0487(6) Uani 1 1 d . . . . .
C21 C 0.6481(2) 0.65404(15) 0.30830(14) 0.0629(8) Uani 1 1 d . . . . .
H21 H 0.6720 0.6656 0.2757 0.075 Uiso 1 1 calc R U . . .
C20 C 0.7080(2) 0.66255(17) 0.36081(16) 0.0713(9) Uani 1 1 d . . . . .
H20 H 0.7718 0.6812 0.3636 0.086 Uiso 1 1 calc R U . . .
B1 B 0.7171(7) 0.7479(5) 0.1617(4) 0.075(2) Uani 0.591(8) 1 d D U P A 1
F1 F 0.7453(7) 0.7733(4) 0.2138(3) 0.139(3) Uani 0.591(8) 1 d D U P A 1
F2 F 0.6215(4) 0.7689(5) 0.1492(3) 0.171(3) Uani 0.591(8) 1 d D U P A 1
F3 F 0.7655(6) 0.7775(5) 0.1231(3) 0.112(3) Uani 0.591(8) 1 d D U P A 1
F4 F 0.7155(9) 0.6799(3) 0.1562(4) 0.182(4) Uani 0.591(8) 1 d D U P A 1
B1B B 0.7391(9) 0.7300(7) 0.1633(6) 0.102(4) Uani 0.409(8) 1 d D U P A 2
F1B F 0.8174(7) 0.6937(6) 0.1510(5) 0.184(4) Uani 0.409(8) 1 d D U P A 2
F2B F 0.7731(8) 0.7361(7) 0.2187(4) 0.161(5) Uani 0.409(8) 1 d D U P A 2
F3B F 0.7408(12) 0.7851(7) 0.1325(6) 0.144(5) Uani 0.409(8) 1 d D U P A 2
F4B F 0.6559(6) 0.6945(6) 0.1494(4) 0.134(5) Uani 0.409(8) 1 d D U P A 2
C1' C 0.9050(8) 0.7817(7) 0.0102(5) 0.180(5) Uani 0.722(10) 1 d D U P B 1
H1'1 H 0.9316 0.8237 0.0283 0.270 Uiso 0.722(10) 1 calc R U P B 1
H1'2 H 0.9222 0.7783 -0.0268 0.270 Uiso 0.722(10) 1 calc R U P B 1
H1'3 H 0.8333 0.7815 0.0061 0.270 Uiso 0.722(10) 1 calc R U P B 1
C2' C 0.9450(15) 0.7269(7) 0.0431(5) 0.216(7) Uani 0.722(10) 1 d D U P B 1
H2'1 H 0.9288 0.7314 0.0807 0.259 Uiso 0.722(10) 1 calc R U P B 1
H2'2 H 1.0176 0.7283 0.0478 0.259 Uiso 0.722(10) 1 calc R U P B 1
O1' O 0.9080(6) 0.6584(5) 0.0184(3) 0.175(3) Uani 0.722(10) 1 d D U P B 1
C3' C 0.8910(10) 0.5930(8) 0.0417(8) 0.242(7) Uani 0.722(10) 1 d D U P B 1
H3'1 H 0.9410 0.5891 0.0768 0.291 Uiso 0.722(10) 1 calc R U P B 1
H3'2 H 0.8267 0.5969 0.0532 0.291 Uiso 0.722(10) 1 calc R U P B 1
C4' C 0.8896(17) 0.5290(9) 0.0151(8) 0.344(12) Uani 0.722(10) 1 d D U P B 1
H4'1 H 0.8764 0.4938 0.0408 0.515 Uiso 0.722(10) 1 calc R U P B 1
H4'2 H 0.8379 0.5286 -0.0187 0.515 Uiso 0.722(10) 1 calc R U P B 1
H4'3 H 0.9535 0.5207 0.0051 0.515 Uiso 0.722(10) 1 calc R U P B 1
C1" C 0.9157(10) 0.8371(10) 0.0234(7) 0.099(6) Uani 0.278(10) 1 d D U P B 2
H1"1 H 0.9619 0.8743 0.0229 0.149 Uiso 0.278(10) 1 calc R U P B 2
H1"2 H 0.8610 0.8410 -0.0088 0.149 Uiso 0.278(10) 1 calc R U P B 2
H1"3 H 0.8901 0.8389 0.0581 0.149 Uiso 0.278(10) 1 calc R U P B 2
C2" C 0.9595(15) 0.7818(10) 0.0210(9) 0.115(7) Uani 0.278(10) 1 d D U P B 2
H2"1 H 1.0158 0.7798 0.0531 0.138 Uiso 0.278(10) 1 calc R U P B 2
H2"2 H 0.9869 0.7818 -0.0135 0.138 Uiso 0.278(10) 1 calc R U P B 2
O1" O 0.9005(15) 0.7194(12) 0.021(2) 0.31(2) Uani 0.278(10) 1 d D U P B 2
C3" C 0.9984(18) 0.6770(14) 0.0319(8) 0.152(8) Uani 0.278(10) 1 d D U P B 2
H3"1 H 1.0329 0.6806 0.0001 0.182 Uiso 0.278(10) 1 calc R U P B 2
H3"2 H 1.0435 0.6906 0.0669 0.182 Uiso 0.278(10) 1 calc R U P B 2
C4" C 0.961(3) 0.6135(15) 0.0359(12) 0.204(13) Uani 0.278(10) 1 d D U P B 2
H4"1 H 1.0147 0.5807 0.0427 0.306 Uiso 0.278(10) 1 calc R U P B 2
H4"2 H 0.9257 0.6122 0.0670 0.306 Uiso 0.278(10) 1 calc R U P B 2
H4"3 H 0.9152 0.6023 0.0010 0.306 Uiso 0.278(10) 1 calc R U P B 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 C1 2.125(2) . ?
Ag1 C41 2.125(2) . ?
N2 C1 1.355(3) . ?
N2 C3 1.395(3) . ?
N2 C17 1.459(3) . ?
C2 C3 1.349(3) . ?
C2 N1 1.399(3) . ?
C2 C29 1.493(4) . ?
N1 C1 1.361(3) . ?
N1 C4 1.450(3) . ?
C3 C30 1.499(3) . ?
N3 C41 1.362(3) . ?
N3 C42 1.400(3) . ?
N3 C44 1.443(3) . ?
C4 C6 1.398(4) . ?
C4 C10 1.404(4) . ?
N4 C41 1.355(3) . ?
N4 C43 1.396(3) . ?
N4 C56 1.449(3) . ?
C6 C7 1.408(4) . ?
C6 C11 1.510(4) . ?
C9 C8 1.365(5) . ?
C9 C10 1.395(4) . ?
C9 H9 0.9300 . ?
C8 C7 1.373(5) . ?
C8 H8 0.9300 . ?
C7 H7 0.9300 . ?
C17 C22 1.386(4) . ?
C17 C18 1.393(4) . ?
C10 C14 1.508(4) . ?
C11 C13 1.492(5) . ?
C11 C12 1.512(5) . ?
C11 H01I 0.9800 . ?
C12 H3AA 0.9600 . ?
C12 HJ 0.9600 . ?
C12 HK 0.9600 . ?
C13 H4AA 0.9600 . ?
C13 HL 0.9600 . ?
C13 HM 0.9600 . ?
C14 C16 1.508(5) . ?
C14 C15 1.523(5) . ?
C14 H14 0.9800 . ?
C16 H01N 0.9600 . ?
C16 H01O 0.9600 . ?
C16 H01P 0.9600 . ?
C18 C19 1.401(4) . ?
C18 C23 1.508(4) . ?
C19 C20 1.377(4) . ?
C19 H19 0.9300 . ?
C15 H01 0.9600 . ?
C15 HB 0.9600 . ?
C15 HC 0.9600 . ?
C50 C52 1.505(6) . ?
C50 C45 1.507(5) . ?
C50 C51 1.540(5) . ?
C50 H50 0.9800 . ?
C68 C42 1.494(4) . ?
C68 H00D 0.9600 . ?
C68 H00E 0.9600 . ?
C68 H00F 0.9600 . ?
C67 C65 1.512(4) . ?
C67 H01F 0.9600 . ?
C67 H01G 0.9600 . ?
C67 H01H 0.9600 . ?
C66 C65 1.513(5) . ?
C66 H01Q 0.9600 . ?
C66 H01R 0.9600 . ?
C66 H01S 0.9600 . ?
C65 C57 1.529(4) . ?
C65 H65 0.9800 . ?
C64 C62 1.499(5) . ?
C64 H01T 0.9600 . ?
C64 H01U 0.9600 . ?
C64 H01V 0.9600 . ?
C63 C62 1.529(5) . ?
C63 H6AA 0.9600 . ?
C63 HP 0.9600 . ?
C63 HQ 0.9600 . ?
C62 C61 1.513(4) . ?
C62 H62 0.9800 . ?
C61 C60 1.392(4) . ?
C61 C56 1.400(4) . ?
C60 C59 1.363(5) . ?
C60 H60 0.9300 . ?
C59 C58 1.383(4) . ?
C59 H59 0.9300 . ?
C58 C57 1.384(4) . ?
C58 H58 0.9300 . ?
C57 C56 1.400(4) . ?
C55 C53 1.539(4) . ?
C55 H01W 0.9600 . ?
C55 H01X 0.9600 . ?
C55 H01Y 0.9600 . ?
C54 C53 1.523(5) . ?
C54 H1AA 0.9600 . ?
C54 HF 0.9600 . ?
C54 HG 0.9600 . ?
C53 C49 1.500(5) . ?
C53 H01D 0.9800 . ?
C52 H5AA 0.9600 . ?
C52 HN 0.9600 . ?
C52 HO 0.9600 . ?
C51 H0AA 0.9600 . ?
C51 HD 0.9600 . ?
C51 HE 0.9600 . ?
C69 C43 1.507(4) . ?
C69 H00G 0.9600 . ?
C69 H00H 0.9600 . ?
C69 H00I 0.9600 . ?
C49 C48 1.381(4) . ?
C49 C44 1.406(4) . ?
C48 C47 1.371(5) . ?
C48 H01E 0.9300 . ?
C47 C46 1.361(5) . ?
C47 H01J 0.9300 . ?
C46 C45 1.400(4) . ?
C46 H46 0.9300 . ?
C45 C44 1.400(4) . ?
C43 C42 1.332(4) . ?
C30 H00A 0.9600 . ?
C30 H00B 0.9600 . ?
C30 H00C 0.9600 . ?
C29 H00J 0.9600 . ?
C29 H00M 0.9600 . ?
C29 H00N 0.9600 . ?
C28 C26 1.520(4) . ?
C28 H01K 0.9600 . ?
C28 H01L 0.9600 . ?
C28 H01M 0.9600 . ?
C27 C26 1.536(4) . ?
C27 H01A 0.9600 . ?
C27 H01B 0.9600 . ?
C27 H01C 0.9600 . ?
C26 C22 1.512(4) . ?
C26 H26 0.9800 . ?
C25 C23 1.516(4) . ?
C25 H01Z 0.9600 . ?
C25 H 0.9600 . ?
C25 HA 0.9600 . ?
C24 C23 1.511(5) . ?
C24 H2AA 0.9600 . ?
C24 HH 0.9600 . ?
C24 HI 0.9600 . ?
C23 H23 0.9800 . ?
C22 C21 1.409(4) . ?
C21 C20 1.362(4) . ?
C21 H21 0.9300 . ?
C20 H20 0.9300 . ?
B1 F1 1.321(8) . ?
B1 F4 1.331(9) . ?
B1 F2 1.337(10) . ?
B1 F3 1.363(9) . ?
B1B F3B 1.303(12) . ?
B1B F4B 1.309(11) . ?
B1B F2B 1.319(11) . ?
B1B F1B 1.357(12) . ?
C1' C2' 1.370(13) . ?
C1' H1'1 0.9600 . ?
C1' H1'2 0.9600 . ?
C1' H1'3 0.9600 . ?
C2' O1' 1.503(11) . ?
C2' H2'1 0.9700 . ?
C2' H2'2 0.9700 . ?
O1' C3' 1.426(13) . ?
C3' C4' 1.395(15) . ?
C3' H3'1 0.9700 . ?
C3' H3'2 0.9700 . ?
C4' H4'1 0.9600 . ?
C4' H4'2 0.9600 . ?
C4' H4'3 0.9600 . ?
C1" C2" 1.237(17) . ?
C1" H1"1 0.9600 . ?
C1" H1"2 0.9600 . ?
C1" H1"3 0.9600 . ?
C2" O1" 1.456(17) . ?
C2" H2"1 0.9700 . ?
C2" H2"2 0.9700 . ?
O1" C3" 1.543(17) . ?
C3" C4" 1.348(18) . ?
C3" H3"1 0.9700 . ?
C3" H3"2 0.9700 . ?
C4" H4"1 0.9600 . ?
C4" H4"2 0.9600 . ?
C4" H4"3 0.9600 . ?

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
C1 Ag1 C41 178.64(8) . . ?
C1 N2 C3 112.06(18) . . ?
C1 N2 C17 124.74(19) . . ?
C3 N2 C17 122.75(19) . . ?
C3 C2 N1 105.6(2) . . ?
C3 C2 C29 130.3(2) . . ?
N1 C2 C29 124.1(2) . . ?
C1 N1 C2 112.38(18) . . ?
C1 N1 C4 125.30(19) . . ?
C2 N1 C4 122.16(19) . . ?
C2 C3 N2 106.8(2) . . ?
C2 C3 C30 129.8(2) . . ?
N2 C3 C30 123.4(2) . . ?
C41 N3 C42 112.15(19) . . ?
C41 N3 C44 125.46(19) . . ?
C42 N3 C44 122.39(19) . . ?
C6 C4 C10 124.1(2) . . ?
C6 C4 N1 118.3(2) . . ?
C10 C4 N1 117.5(2) . . ?
N2 C1 N1 103.17(19) . . ?
N2 C1 Ag1 129.25(15) . . ?
N1 C1 Ag1 127.48(15) . . ?
C41 N4 C43 112.02(19) . . ?
C41 N4 C56 125.67(19) . . ?
C43 N4 C56 122.20(19) . . ?
C4 C6 C7 115.8(3) . . ?
C4 C6 C11 123.0(2) . . ?
C7 C6 C11 121.2(3) . . ?
C8 C9 C10 121.3(3) . . ?
C8 C9 H9 119.3 . . ?
C10 C9 H9 119.3 . . ?
C9 C8 C7 121.1(3) . . ?
C9 C8 H8 119.5 . . ?
C7 C8 H8 119.5 . . ?
C8 C7 C6 121.3(3) . . ?
C8 C7 H7 119.4 . . ?
C6 C7 H7 119.4 . . ?
C22 C17 C18 124.1(2) . . ?
C22 C17 N2 117.3(2) . . ?
C18 C17 N2 118.5(2) . . ?
C9 C10 C4 116.4(3) . . ?
C9 C10 C14 121.1(3) . . ?
C4 C10 C14 122.5(2) . . ?
C13 C11 C6 111.3(3) . . ?
C13 C11 C12 111.8(4) . . ?
C6 C11 C12 112.4(3) . . ?
C13 C11 H01I 107.0 . . ?
C6 C11 H01I 107.0 . . ?
C12 C11 H01I 107.0 . . ?
C11 C12 H3AA 109.5 . . ?
C11 C12 HJ 109.5 . . ?
H3AA C12 HJ 109.5 . . ?
C11 C12 HK 109.5 . . ?
H3AA C12 HK 109.5 . . ?
HJ C12 HK 109.5 . . ?
C11 C13 H4AA 109.5 . . ?
C11 C13 HL 109.5 . . ?
H4AA C13 HL 109.5 . . ?
C11 C13 HM 109.5 . . ?
H4AA C13 HM 109.5 . . ?
HL C13 HM 109.5 . . ?
C10 C14 C16 112.6(3) . . ?
C10 C14 C15 110.1(3) . . ?
C16 C14 C15 110.3(3) . . ?
C10 C14 H14 107.9 . . ?
C16 C14 H14 107.9 . . ?
C15 C14 H14 107.9 . . ?
C14 C16 H01N 109.5 . . ?
C14 C16 H01O 109.5 . . ?
H01N C16 H01O 109.5 . . ?
C14 C16 H01P 109.5 . . ?
H01N C16 H01P 109.5 . . ?
H01O C16 H01P 109.5 . . ?
C17 C18 C19 116.1(3) . . ?
C17 C18 C23 122.9(2) . . ?
C19 C18 C23 121.0(3) . . ?
C20 C19 C18 121.1(3) . . ?
C20 C19 H19 119.5 . . ?
C18 C19 H19 119.5 . . ?
C14 C15 H01 109.5 . . ?
C14 C15 HB 109.5 . . ?
H01 C15 HB 109.5 . . ?
C14 C15 HC 109.5 . . ?
H01 C15 HC 109.5 . . ?
HB C15 HC 109.5 . . ?
C52 C50 C45 112.4(3) . . ?
C52 C50 C51 109.2(4) . . ?
C45 C50 C51 112.0(3) . . ?
C52 C50 H50 107.7 . . ?
C45 C50 H50 107.7 . . ?
C51 C50 H50 107.7 . . ?
C42 C68 H00D 109.5 . . ?
C42 C68 H00E 109.5 . . ?
H00D C68 H00E 109.5 . . ?
C42 C68 H00F 109.5 . . ?
H00D C68 H00F 109.5 . . ?
H00E C68 H00F 109.5 . . ?
C65 C67 H01F 109.5 . . ?
C65 C67 H01G 109.5 . . ?
H01F C67 H01G 109.5 . . ?
C65 C67 H01H 109.5 . . ?
H01F C67 H01H 109.5 . . ?
H01G C67 H01H 109.5 . . ?
C65 C66 H01Q 109.5 . . ?
C65 C66 H01R 109.5 . . ?
H01Q C66 H01R 109.5 . . ?
C65 C66 H01S 109.5 . . ?
H01Q C66 H01S 109.5 . . ?
H01R C66 H01S 109.5 . . ?
C67 C65 C66 109.8(3) . . ?
C67 C65 C57 112.5(2) . . ?
C66 C65 C57 110.8(2) . . ?
C67 C65 H65 107.9 . . ?
C66 C65 H65 107.9 . . ?
C57 C65 H65 107.9 . . ?
C62 C64 H01T 109.5 . . ?
C62 C64 H01U 109.5 . . ?
H01T C64 H01U 109.5 . . ?
C62 C64 H01V 109.5 . . ?
H01T C64 H01V 109.5 . . ?
H01U C64 H01V 109.5 . . ?
C62 C63 H6AA 109.5 . . ?
C62 C63 HP 109.5 . . ?
H6AA C63 HP 109.5 . . ?
C62 C63 HQ 109.5 . . ?
H6AA C63 HQ 109.5 . . ?
HP C63 HQ 109.5 . . ?
C64 C62 C61 112.6(3) . . ?
C64 C62 C63 108.4(4) . . ?
C61 C62 C63 113.5(3) . . ?
C64 C62 H62 107.3 . . ?
C61 C62 H62 107.3 . . ?
C63 C62 H62 107.3 . . ?
C60 C61 C56 116.8(3) . . ?
C60 C61 C62 121.0(3) . . ?
C56 C61 C62 122.2(2) . . ?
C59 C60 C61 121.7(3) . . ?
C59 C60 H60 119.1 . . ?
C61 C60 H60 119.1 . . ?
C60 C59 C58 120.3(3) . . ?
C60 C59 H59 119.9 . . ?
C58 C59 H59 119.9 . . ?
C59 C58 C57 121.1(3) . . ?
C59 C58 H58 119.4 . . ?
C57 C58 H58 119.4 . . ?
C58 C57 C56 117.3(3) . . ?
C58 C57 C65 119.7(3) . . ?
C56 C57 C65 123.0(2) . . ?
C61 C56 C57 122.7(2) . . ?
C61 C56 N4 118.3(2) . . ?
C57 C56 N4 118.8(2) . . ?
C53 C55 H01W 109.5 . . ?
C53 C55 H01X 109.5 . . ?
H01W C55 H01X 109.5 . . ?
C53 C55 H01Y 109.5 . . ?
H01W C55 H01Y 109.5 . . ?
H01X C55 H01Y 109.5 . . ?
C53 C54 H1AA 109.5 . . ?
C53 C54 HF 109.5 . . ?
H1AA C54 HF 109.5 . . ?
C53 C54 HG 109.5 . . ?
H1AA C54 HG 109.5 . . ?
HF C54 HG 109.5 . . ?
C49 C53 C54 111.9(3) . . ?
C49 C53 C55 113.2(3) . . ?
C54 C53 C55 109.7(3) . . ?
C49 C53 H01D 107.3 . . ?
C54 C53 H01D 107.3 . . ?
C55 C53 H01D 107.3 . . ?
C50 C52 H5AA 109.5 . . ?
C50 C52 HN 109.5 . . ?
H5AA C52 HN 109.5 . . ?
C50 C52 HO 109.5 . . ?
H5AA C52 HO 109.5 . . ?
HN C52 HO 109.5 . . ?
C50 C51 H0AA 109.5 . . ?
C50 C51 HD 109.5 . . ?
H0AA C51 HD 109.5 . . ?
C50 C51 HE 109.5 . . ?
H0AA C51 HE 109.5 . . ?
HD C51 HE 109.5 . . ?
C43 C69 H00G 109.5 . . ?
C43 C69 H00H 109.5 . . ?
H00G C69 H00H 109.5 . . ?
C43 C69 H00I 109.5 . . ?
H00G C69 H00I 109.5 . . ?
H00H C69 H00I 109.5 . . ?
C48 C49 C44 116.2(3) . . ?
C48 C49 C53 122.2(3) . . ?
C44 C49 C53 121.6(2) . . ?
C47 C48 C49 121.9(3) . . ?
C47 C48 H01E 119.1 . . ?
C49 C48 H01E 119.1 . . ?
C46 C47 C48 121.0(3) . . ?
C46 C47 H01J 119.5 . . ?
C48 C47 H01J 119.5 . . ?
C47 C46 C45 121.0(3) . . ?
C47 C46 H46 119.5 . . ?
C45 C46 H46 119.5 . . ?
C44 C45 C46 116.5(3) . . ?
C44 C45 C50 122.4(2) . . ?
C46 C45 C50 121.1(3) . . ?
C45 C44 C49 123.4(2) . . ?
C45 C44 N3 118.2(2) . . ?
C49 C44 N3 118.2(2) . . ?
C42 C43 N4 106.9(2) . . ?
C42 C43 C69 130.6(2) . . ?
N4 C43 C69 122.4(2) . . ?
C43 C42 N3 106.0(2) . . ?
C43 C42 C68 131.2(2) . . ?
N3 C42 C68 122.8(2) . . ?
N4 C41 N3 102.9(2) . . ?
N4 C41 Ag1 131.76(16) . . ?
N3 C41 Ag1 125.22(16) . . ?
C3 C30 H00A 109.5 . . ?
C3 C30 H00B 109.5 . . ?
H00A C30 H00B 109.5 . . ?
C3 C30 H00C 109.5 . . ?
H00A C30 H00C 109.5 . . ?
H00B C30 H00C 109.5 . . ?
C2 C29 H00J 109.5 . . ?
C2 C29 H00M 109.5 . . ?
H00J C29 H00M 109.5 . . ?
C2 C29 H00N 109.5 . . ?
H00J C29 H00N 109.5 . . ?
H00M C29 H00N 109.5 . . ?
C26 C28 H01K 109.5 . . ?
C26 C28 H01L 109.5 . . ?
H01K C28 H01L 109.5 . . ?
C26 C28 H01M 109.5 . . ?
H01K C28 H01M 109.5 . . ?
H01L C28 H01M 109.5 . . ?
C26 C27 H01A 109.5 . . ?
C26 C27 H01B 109.5 . . ?
H01A C27 H01B 109.5 . . ?
C26 C27 H01C 109.5 . . ?
H01A C27 H01C 109.5 . . ?
H01B C27 H01C 109.5 . . ?
C22 C26 C28 112.8(3) . . ?
C22 C26 C27 111.0(3) . . ?
C28 C26 C27 110.0(3) . . ?
C22 C26 H26 107.6 . . ?
C28 C26 H26 107.6 . . ?
C27 C26 H26 107.6 . . ?
C23 C25 H01Z 109.5 . . ?
C23 C25 H 109.5 . . ?
H01Z C25 H 109.5 . . ?
C23 C25 HA 109.5 . . ?
H01Z C25 HA 109.5 . . ?
H C25 HA 109.5 . . ?
C23 C24 H2AA 109.5 . . ?
C23 C24 HH 109.5 . . ?
H2AA C24 HH 109.5 . . ?
C23 C24 HI 109.5 . . ?
H2AA C24 HI 109.5 . . ?
HH C24 HI 109.5 . . ?
C18 C23 C24 111.7(3) . . ?
C18 C23 C25 113.2(3) . . ?
C24 C23 C25 111.3(4) . . ?
C18 C23 H23 106.7 . . ?
C24 C23 H23 106.7 . . ?
C25 C23 H23 106.7 . . ?
C17 C22 C21 116.9(3) . . ?
C17 C22 C26 123.1(2) . . ?
C21 C22 C26 120.0(3) . . ?
C20 C21 C22 120.4(3) . . ?
C20 C21 H21 119.8 . . ?
C22 C21 H21 119.8 . . ?
C21 C20 C19 121.2(3) . . ?
C21 C20 H20 119.4 . . ?
C19 C20 H20 119.4 . . ?
F1 B1 F4 117.5(8) . . ?
F1 B1 F2 100.5(7) . . ?
F4 B1 F2 106.6(8) . . ?
F1 B1 F3 113.0(8) . . ?
F4 B1 F3 110.7(8) . . ?
F2 B1 F3 107.4(8) . . ?
F3B B1B F4B 113.8(11) . . ?
F3B B1B F2B 116.8(11) . . ?
F4B B1B F2B 114.4(11) . . ?
F3B B1B F1B 101.7(13) . . ?
F4B B1B F1B 110.3(11) . . ?
F2B B1B F1B 97.5(9) . . ?
C2' C1' H1'1 109.5 . . ?
C2' C1' H1'2 109.5 . . ?
H1'1 C1' H1'2 109.5 . . ?
C2' C1' H1'3 109.5 . . ?
H1'1 C1' H1'3 109.5 . . ?
H1'2 C1' H1'3 109.5 . . ?
C1' C2' O1' 113.7(11) . . ?
C1' C2' H2'1 108.8 . . ?
O1' C2' H2'1 108.8 . . ?
C1' C2' H2'2 108.8 . . ?
O1' C2' H2'2 108.8 . . ?
H2'1 C2' H2'2 107.7 . . ?
C3' O1' C2' 134.9(11) . . ?
C4' C3' O1' 127.4(18) . . ?
C4' C3' H3'1 105.5 . . ?
O1' C3' H3'1 105.5 . . ?
C4' C3' H3'2 105.5 . . ?
O1' C3' H3'2 105.5 . . ?
H3'1 C3' H3'2 106.0 . . ?
C3' C4' H4'1 109.5 . . ?
C3' C4' H4'2 109.5 . . ?
H4'1 C4' H4'2 109.5 . . ?
C3' C4' H4'3 109.5 . . ?
H4'1 C4' H4'3 109.5 . . ?
H4'2 C4' H4'3 109.5 . . ?
C2" C1" H1"1 109.5 . . ?
C2" C1" H1"2 109.5 . . ?
H1"1 C1" H1"2 109.5 . . ?
C2" C1" H1"3 109.5 . . ?
H1"1 C1" H1"3 109.5 . . ?
H1"2 C1" H1"3 109.5 . . ?
C1" C2" O1" 117.0(18) . . ?
C1" C2" H2"1 108.0 . . ?
O1" C2" H2"1 108.0 . . ?
C1" C2" H2"2 108.0 . . ?
O1" C2" H2"2 108.0 . . ?
H2"1 C2" H2"2 107.3 . . ?
C2" O1" C3" 89.3(15) . . ?
C4" C3" O1" 100(2) . . ?
C4" C3" H3"1 111.8 . . ?
O1" C3" H3"1 111.8 . . ?
C4" C3" H3"2 111.8 . . ?
O1" C3" H3"2 111.8 . . ?
H3"1 C3" H3"2 109.5 . . ?
C3" C4" H4"1 109.5 . . ?
C3" C4" H4"2 109.5 . . ?
H4"1 C4" H4"2 109.5 . . ?
C3" C4" H4"3 109.5 . . ?
H4"1 C4" H4"3 109.5 . . ?
H4"2 C4" H4"3 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C3 C2 N1 C1 0.5(3) . . . . ?
C29 C2 N1 C1 -178.8(3) . . . . ?
C3 C2 N1 C4 176.2(2) . . . . ?
C29 C2 N1 C4 -3.2(4) . . . . ?
N1 C2 C3 N2 0.0(3) . . . . ?
C29 C2 C3 N2 179.3(3) . . . . ?
N1 C2 C3 C30 -178.6(3) . . . . ?
C29 C2 C3 C30 0.7(6) . . . . ?
C1 N2 C3 C2 -0.6(3) . . . . ?
C17 N2 C3 C2 -173.2(2) . . . . ?
C1 N2 C3 C30 178.2(3) . . . . ?
C17 N2 C3 C30 5.5(4) . . . . ?
C1 N1 C4 C6 -105.1(3) . . . . ?
C2 N1 C4 C6 79.8(3) . . . . ?
C1 N1 C4 C10 78.2(3) . . . . ?
C2 N1 C4 C10 -96.9(3) . . . . ?
C3 N2 C1 N1 0.8(3) . . . . ?
C17 N2 C1 N1 173.3(2) . . . . ?
C3 N2 C1 Ag1 -175.67(17) . . . . ?
C17 N2 C1 Ag1 -3.2(3) . . . . ?
C2 N1 C1 N2 -0.8(3) . . . . ?
C4 N1 C1 N2 -176.3(2) . . . . ?
C2 N1 C1 Ag1 175.77(17) . . . . ?
C4 N1 C1 Ag1 0.3(3) . . . . ?
C10 C4 C6 C7 -1.3(4) . . . . ?
N1 C4 C6 C7 -177.8(2) . . . . ?
C10 C4 C6 C11 178.7(3) . . . . ?
N1 C4 C6 C11 2.2(4) . . . . ?
C10 C9 C8 C7 0.2(5) . . . . ?
C9 C8 C7 C6 1.3(5) . . . . ?
C4 C6 C7 C8 -0.8(4) . . . . ?
C11 C6 C7 C8 179.3(3) . . . . ?
C1 N2 C17 C22 -85.1(3) . . . . ?
C3 N2 C17 C22 86.6(3) . . . . ?
C1 N2 C17 C18 98.3(3) . . . . ?
C3 N2 C17 C18 -90.0(3) . . . . ?
C8 C9 C10 C4 -2.1(4) . . . . ?
C8 C9 C10 C14 175.3(3) . . . . ?
C6 C4 C10 C9 2.7(4) . . . . ?
N1 C4 C10 C9 179.2(2) . . . . ?
C6 C4 C10 C14 -174.6(2) . . . . ?
N1 C4 C10 C14 1.9(3) . . . . ?
C4 C6 C11 C13 99.5(4) . . . . ?
C7 C6 C11 C13 -80.6(4) . . . . ?
C4 C6 C11 C12 -134.2(4) . . . . ?
C7 C6 C11 C12 45.8(5) . . . . ?
C9 C10 C14 C16 52.3(4) . . . . ?
C4 C10 C14 C16 -130.5(3) . . . . ?
C9 C10 C14 C15 -71.2(4) . . . . ?
C4 C10 C14 C15 106.0(3) . . . . ?
C22 C17 C18 C19 4.3(4) . . . . ?
N2 C17 C18 C19 -179.3(2) . . . . ?
C22 C17 C18 C23 -174.7(3) . . . . ?
N2 C17 C18 C23 1.6(4) . . . . ?
C17 C18 C19 C20 -1.6(4) . . . . ?
C23 C18 C19 C20 177.4(3) . . . . ?
C64 C62 C61 C60 76.0(4) . . . . ?
C63 C62 C61 C60 -47.6(5) . . . . ?
C64 C62 C61 C56 -106.0(4) . . . . ?
C63 C62 C61 C56 130.3(4) . . . . ?
C56 C61 C60 C59 -2.1(4) . . . . ?
C62 C61 C60 C59 175.9(3) . . . . ?
C61 C60 C59 C58 -0.4(5) . . . . ?
C60 C59 C58 C57 1.3(5) . . . . ?
C59 C58 C57 C56 0.4(4) . . . . ?
C59 C58 C57 C65 -180.0(3) . . . . ?
C67 C65 C57 C58 52.3(4) . . . . ?
C66 C65 C57 C58 -71.0(4) . . . . ?
C67 C65 C57 C56 -128.1(3) . . . . ?
C66 C65 C57 C56 108.6(3) . . . . ?
C60 C61 C56 C57 3.9(4) . . . . ?
C62 C61 C56 C57 -174.1(2) . . . . ?
C60 C61 C56 N4 178.5(2) . . . . ?
C62 C61 C56 N4 0.5(4) . . . . ?
C58 C57 C56 C61 -3.1(4) . . . . ?
C65 C57 C56 C61 177.3(2) . . . . ?
C58 C57 C56 N4 -177.6(2) . . . . ?
C65 C57 C56 N4 2.8(4) . . . . ?
C41 N4 C56 C61 84.8(3) . . . . ?
C43 N4 C56 C61 -91.2(3) . . . . ?
C41 N4 C56 C57 -100.4(3) . . . . ?
C43 N4 C56 C57 83.6(3) . . . . ?
C54 C53 C49 C48 82.4(4) . . . . ?
C55 C53 C49 C48 -42.1(4) . . . . ?
C54 C53 C49 C44 -96.2(4) . . . . ?
C55 C53 C49 C44 139.3(3) . . . . ?
C44 C49 C48 C47 -2.9(5) . . . . ?
C53 C49 C48 C47 178.4(3) . . . . ?
C49 C48 C47 C46 1.4(6) . . . . ?
C48 C47 C46 C45 -0.3(5) . . . . ?
C47 C46 C45 C44 0.8(5) . . . . ?
C47 C46 C45 C50 -179.2(3) . . . . ?
C52 C50 C45 C44 117.7(4) . . . . ?
C51 C50 C45 C44 -119.0(3) . . . . ?
C52 C50 C45 C46 -62.3(5) . . . . ?
C51 C50 C45 C46 60.9(4) . . . . ?
C46 C45 C44 C49 -2.6(4) . . . . ?
C50 C45 C44 C49 177.4(3) . . . . ?
C46 C45 C44 N3 -177.0(2) . . . . ?
C50 C45 C44 N3 3.0(4) . . . . ?
C48 C49 C44 C45 3.6(4) . . . . ?
C53 C49 C44 C45 -177.8(3) . . . . ?
C48 C49 C44 N3 178.0(2) . . . . ?
C53 C49 C44 N3 -3.4(4) . . . . ?
C41 N3 C44 C45 -92.3(3) . . . . ?
C42 N3 C44 C45 86.9(3) . . . . ?
C41 N3 C44 C49 93.0(3) . . . . ?
C42 N3 C44 C49 -87.8(3) . . . . ?
C41 N4 C43 C42 0.7(3) . . . . ?
C56 N4 C43 C42 177.2(2) . . . . ?
C41 N4 C43 C69 -178.2(3) . . . . ?
C56 N4 C43 C69 -1.7(4) . . . . ?
N4 C43 C42 N3 -0.1(3) . . . . ?
C69 C43 C42 N3 178.6(3) . . . . ?
N4 C43 C42 C68 -179.9(3) . . . . ?
C69 C43 C42 C68 -1.2(5) . . . . ?
C41 N3 C42 C43 -0.4(3) . . . . ?
C44 N3 C42 C43 -179.7(2) . . . . ?
C41 N3 C42 C68 179.4(3) . . . . ?
C44 N3 C42 C68 0.1(4) . . . . ?
C43 N4 C41 N3 -0.9(3) . . . . ?
C56 N4 C41 N3 -177.2(2) . . . . ?
C43 N4 C41 Ag1 174.91(19) . . . . ?
C56 N4 C41 Ag1 -1.4(4) . . . . ?
C42 N3 C41 N4 0.8(3) . . . . ?
C44 N3 C41 N4 -179.9(2) . . . . ?
C42 N3 C41 Ag1 -175.36(17) . . . . ?
C44 N3 C41 Ag1 3.9(3) . . . . ?
C17 C18 C23 C24 -96.7(4) . . . . ?
C19 C18 C23 C24 84.4(4) . . . . ?
C17 C18 C23 C25 136.8(3) . . . . ?
C19 C18 C23 C25 -42.2(4) . . . . ?
C18 C17 C22 C21 -3.8(4) . . . . ?
N2 C17 C22 C21 179.8(2) . . . . ?
C18 C17 C22 C26 174.4(2) . . . . ?
N2 C17 C22 C26 -2.0(4) . . . . ?
C28 C26 C22 C17 -126.6(3) . . . . ?
C27 C26 C22 C17 109.4(3) . . . . ?
C28 C26 C22 C21 51.5(4) . . . . ?
C27 C26 C22 C21 -72.5(3) . . . . ?
C17 C22 C21 C20 0.6(4) . . . . ?
C26 C22 C21 C20 -177.6(3) . . . . ?
C22 C21 C20 C19 1.9(5) . . . . ?
C18 C19 C20 C21 -1.3(5) . . . . ?
C1' C2' O1' C3' -149.3(13) . . . . ?
C2' O1' C3' C4' -155.9(19) . . . . ?
C1" C2" O1" C3" -168(2) . . . . ?
C2" O1" C3" C4" 178(3) . . . . ?

_refine_diff_density_max         0.636
_refine_diff_density_min         -0.412
_refine_diff_density_rms         0.065



_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: dichloromethane/diethyl ether'
_chemical_properties_physical    ', Light-sensitive'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1495358'
_audit_update_record             
;
2016-07-22 deposited with the CCDC.
2016-10-18 downloaded from the CCDC.
;
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a                   10.3636(8)
_cell_length_b                   11.3101(6)
_cell_length_c                   11.3849(7)
_cell_angle_alpha                106.948(5)
_cell_angle_beta                 90.923(6)
_cell_angle_gamma                114.698(6)
_cell_volume                     1145.04
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.43502(3) 0.44000(2) 0.33247(2)
C2 C 0.2461(3) 0.2549(3) 0.2728(3)
N3 N 0.1140(3) 0.2353(3) 0.2296(2)
C4 C 0.0184(4) 0.0977(3) 0.1917(4)
C5 C 0.0912(4) 0.0303(3) 0.2120(4)
N6 N 0.2297(3) 0.1273(3) 0.2620(2)
C7 C 0.3432(4) 0.0944(4) 0.2983(3)
H73 H 0.3114 0.0404 0.3528
H72 H 0.4268 0.1784 0.3404
H71 H 0.3661 0.0420 0.2252
H51 H 0.0578 -0.0629 0.1959
H41 H -0.0780 0.0605 0.1583
C8 C 0.0759(4) 0.3422(3) 0.2178(3)
C9 C 0.0425(3) 0.3304(3) 0.0848(3)
C10 C 0.1448(4) 0.3359(3) 0.0064(3)
C11 C 0.1187(4) 0.3338(3) -0.1132(3)
C12 C -0.0091(5) 0.3253(4) -0.1577(4)
C13 C -0.1129(5) 0.3163(4) -0.0833(4)
C14 C -0.0871(4) 0.3196(4) 0.0381(4)
H141 H -0.1576 0.3132 0.0886
H131 H -0.2005 0.3086 -0.1126
H121 H -0.0251 0.3253 -0.2382
H111 H 0.1883 0.3381 -0.1636
H101 H 0.2304 0.3402 0.0348
H82 H 0.1548 0.4317 0.2603
H81 H -0.0060 0.3343 0.2588
C15 C 0.6266(3) 0.6214(3) 0.3770(3)
N16 N 0.7600(3) 0.6378(3) 0.4105(2)
C17 C 0.8607(3) 0.7720(3) 0.4352(3)
C18 C 0.7886(3) 0.8411(3) 0.4146(3)
N19 N 0.6460(3) 0.7477(3) 0.3793(2)
C20 C 0.5330(4) 0.7818(3) 0.3425(3)
C21 C 0.5309(3) 0.7857(3) 0.2117(3)
C22 C 0.4712(4) 0.6644(3) 0.1125(3)
C23 C 0.4659(4) 0.6650(4) -0.0086(3)
C24 C 0.5215(4) 0.7873(5) -0.0313(4)
C25 C 0.5832(5) 0.9105(4) 0.0668(4)
C26 C 0.5866(4) 0.9084(4) 0.1874(4)
H261 H 0.6237 0.9903 0.2529
H251 H 0.6193 0.9927 0.0506
H241 H 0.5177 0.7890 -0.1125
H231 H 0.4263 0.5816 -0.0746
H221 H 0.4341 0.5817 0.1277
H202 H 0.5488 0.8705 0.3988
H201 H 0.4415 0.7135 0.3484
H181 H 0.8260 0.9333 0.4222
H171 H 0.9576 0.8052 0.4625
C27 C 0.7931(4) 0.5277(4) 0.4199(3)
H273 H 0.8779 0.5641 0.4765
H272 H 0.7183 0.4669 0.4494
H271 H 0.8053 0.4789 0.3418
F28 F 0.1779(3) 0.6539(2) 0.4094(2)
B29 B 0.2268(4) 0.7711(4) 0.5098(3)
F30 F 0.2450(4) 0.8775(3) 0.4698(3)
F31 F 0.1282(3) 0.7613(5) 0.5868(3)
F32 F 0.3512(3) 0.7926(3) 0.5721(2)

#END
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: dichloromethane/diethyl ether'
_chemical_properties_physical    ', Photo-sensitive'
