# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_str1725
_database_code_depnum_ccdc_archive 'CCDC 1406599'
_audit_update_record             
;
2015-06-14 deposited with the CCDC.
2015-07-24 downloaded from the CCDC.
;
_audit_creation_date             2015-06-08
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3151 for OlexSys, GUI svn.r4998)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C168 H162 Ag3 N18, 3(F6 P)'
_chemical_formula_sum            'C168 H162 Ag3 F18 N18 P3'
_chemical_formula_weight         3191.67
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C168 H144 N18 Ag3 P F6'
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'
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'
N N 0.0311 0.0180 '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'

_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.
;
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_H-M_alt        'R -3'
_space_group_name_Hall           '-R 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

_cell_length_a                   35.4661(16)
_cell_length_b                   35.4661(16)
_cell_length_c                   26.1940(17)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     28534(3)
_cell_formula_units_Z            6
_cell_measurement_reflns_used    3987
_cell_measurement_temperature    150.00(14)
_cell_measurement_theta_max      64.9440
_cell_measurement_theta_min      4.1040
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.228
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.58300
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.114
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             9864
_exptl_crystal_size_max          0.1117
_exptl_crystal_size_mid          0.1056
_exptl_crystal_size_min          0.0466
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1245
_diffrn_reflns_av_unetI/netI     0.0962
_diffrn_reflns_Laue_measured_fraction_full 0.918
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            36807
_diffrn_reflns_point_group_measured_fraction_full 0.918
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         64.937
_diffrn_reflns_theta_min         3.336
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(14)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4051
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.918
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -74.00   46.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      -37.6057   77.0000  -90.0000 120

#__ type_ start__ end____ width___ exp.time_
  2 omega    2.00  122.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -       37.6057   77.0000  150.0000 120

#__ type_ start__ end____ width___ exp.time_
  3 omega  100.00  178.00   1.0000  275.0000
omega____ theta____ kappa____ phi______ frames
    -      101.8683   77.0000 -120.0000 78

#__ type_ start__ end____ width___ exp.time_
  4 omega   95.00  178.00   1.0000  275.0000
omega____ theta____ kappa____ phi______ frames
    -      101.8683   77.0000  -90.0000 83

#__ type_ start__ end____ width___ exp.time_
  5 omega   66.00  178.00   1.0000  275.0000
omega____ theta____ kappa____ phi______ frames
    -      101.8683   77.0000 -180.0000 112

#__ type_ start__ end____ width___ exp.time_
  6 omega   95.00  178.00   1.0000  275.0000
omega____ theta____ kappa____ phi______ frames
    -      101.8683   77.0000  -60.0000 83

#__ type_ start__ end____ width___ exp.time_
  7 omega  -49.00   42.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      -37.6057   37.0000  120.0000 91

#__ type_ start__ end____ width___ exp.time_
  8 omega -117.00   -6.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      -37.6057  -37.0000  -30.0000 111

#__ type_ start__ end____ width___ exp.time_
  9 omega  100.00  125.00   1.0000  275.0000
omega____ theta____ kappa____ phi______ frames
    -      101.8683  111.0000   90.0000 25
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0332451000
_diffrn_orient_matrix_UB_12      0.0158859000
_diffrn_orient_matrix_UB_13      0.0440671000
_diffrn_orient_matrix_UB_21      -0.0230887000
_diffrn_orient_matrix_UB_22      -0.0461715000
_diffrn_orient_matrix_UB_23      0.0230116000
_diffrn_orient_matrix_UB_31      0.0296530000
_diffrn_orient_matrix_UB_32      -0.0114144000
_diffrn_orient_matrix_UB_33      -0.0315606000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6439
_reflns_number_total             10546
_reflns_odcompleteness_completeness 97.64
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     64.99
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         1.351
_refine_diff_density_min         -0.715
_refine_diff_density_rms         0.105
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     652
_refine_ls_number_reflns         10546
_refine_ls_number_restraints     238
_refine_ls_R_factor_all          0.1282
_refine_ls_R_factor_gt           0.0922
_refine_ls_restrained_S_all      1.048
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1644P)²+33.6004P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2561
_refine_ls_wR_factor_ref         0.2886
_refine_special_details          SQUEEZE
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 P1-F4 \\sim P1-F6
 with sigma of 0.02
 P1-F5 \\sim P1-F3 \\sim P1-F2 \\sim P1-F1
 with sigma of 0.02
 F3-F2 \\sim F4-F1 \\sim F6-F5
 with sigma of 0.02
 P1-F2 \\sim P1-F1 \\sim P1-F3 \\sim P1-F5 \\sim P1-F6A \\sim P1-F4 \\sim P1-F6
 with sigma of 0.02
3. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
F1 \\sim F2: within 1.7A with sigma of 0.04 and sigma for terminal atoms of 0.08
F3 \\sim F5: within 1.7A with sigma of 0.04 and sigma for terminal atoms of 0.08
F1 \\sim F2: within 1.7A with sigma of 0.04 and sigma for terminal atoms of 0.08
Uanis(F1) \\sim Ueq, Uanis(F2) \\sim Ueq: with sigma of 0.1 and sigma for
terminal atoms of 0.2
5. Others
 Fixed Sof: F6(0.5) F6A(0.5)
6.a Aromatic/amide H refined with riding coordinates:
 C7(H7), C7'(H7'), C8(H8), C8'(H8'), C10(H10), C10'(H10'), C11(H11),
 C11'(H11'), C13(H13), C13'(H13'), C16(H16), C16'(H16'), C18(H18), C18'(H18'),
 C25(H25), C25'(H25'), C27(H27), C27'(H27')
6.b Idealised Me refined as rotating group:
 C20(H20A,H20B,H20C), C20'(H20D,H20E,H20F), C21(H21A,H21B,H21C), C21'(H21D,
 H21E,H21F), C22(H22A,H22B,H22C), C22'(H22D,H22E,H22F), C29(H29A,H29B,H29C),
 C29'(H29D,H29E,H29F), C30(H30A,H30B,H30C), C30'(H30D,H30E,H30F), C31(H31A,H31B,
 H31C), C31'(H31D,H31E,H31F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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
N1 N 0.5970(2) 0.5521(2) 0.7540(2) 0.0660(16) Uani 1 1 d . U . . .
N1' N 0.6883(2) 0.6030(2) 0.5620(2) 0.0674(15) Uani 1 1 d . U . . .
N2 N 0.5800(2) 0.5387(2) 0.8004(2) 0.0678(16) Uani 1 1 d . U . . .
N2' N 0.7049(2) 0.6034(2) 0.5161(2) 0.0733(17) Uani 1 1 d . U . . .
N3 N 0.5884(2) 0.50725(19) 0.8097(2) 0.0601(14) Uani 1 1 d . U . . .
N3' N 0.7037(2) 0.5651(2) 0.5151(2) 0.0630(14) Uani 1 1 d . U . . .
C4 C 0.6100(2) 0.5005(2) 0.7696(2) 0.0528(14) Uani 1 1 d . U . . .
C4' C 0.6875(2) 0.5420(2) 0.5585(2) 0.0555(15) Uani 1 1 d . U . . .
C5 C 0.6157(2) 0.5312(2) 0.7336(3) 0.0578(16) Uani 1 1 d . U . . .
C5' C 0.6770(2) 0.5662(3) 0.5900(2) 0.0579(16) Uani 1 1 d . U . . .
C6 C 0.6221(2) 0.4666(2) 0.7696(2) 0.0525(14) Uani 1 1 d . U . . .
C6' C 0.6839(3) 0.4994(2) 0.5680(3) 0.0599(16) Uani 1 1 d . U . . .
C7 C 0.5970(2) 0.4269(2) 0.7932(3) 0.0565(15) Uani 1 1 d . U . . .
H7 H 0.5721 0.4216 0.8110 0.068 Uiso 1 1 calc R . . . .
C7' C 0.6497(3) 0.4689(2) 0.5964(3) 0.0644(18) Uani 1 1 d . U . . .
H7' H 0.6284 0.4747 0.6082 0.077 Uiso 1 1 calc R . . . .
C8 C 0.6083(2) 0.3955(2) 0.7907(3) 0.0576(16) Uani 1 1 d . U . . .
H8 H 0.5910 0.3692 0.8073 0.069 Uiso 1 1 calc R . . . .
C8' C 0.6469(2) 0.4295(3) 0.6077(3) 0.0634(17) Uani 1 1 d . U . . .
H8' H 0.6240 0.4095 0.6279 0.076 Uiso 1 1 calc R . . . .
C9 C 0.6448(2) 0.4015(2) 0.7639(2) 0.0476(13) Uani 1 1 d . U . . .
C9' C 0.6775(2) 0.4187(2) 0.5895(3) 0.0624(16) Uani 1 1 d . U . . .
C10 C 0.6702(2) 0.4417(2) 0.7405(2) 0.0560(15) Uani 1 1 d . U . . .
H10 H 0.6951 0.4472 0.7228 0.067 Uiso 1 1 calc R . . . .
C10' C 0.7126(3) 0.4511(3) 0.5621(3) 0.0689(18) Uani 1 1 d . U . . .
H10' H 0.7343 0.4457 0.5509 0.083 Uiso 1 1 calc R . . . .
C11 C 0.6588(2) 0.4734(2) 0.7433(3) 0.0563(15) Uani 1 1 d . U . . .
H11 H 0.6761 0.5000 0.7272 0.068 Uiso 1 1 calc R . . . .
C11' C 0.7163(3) 0.4906(3) 0.5511(3) 0.0691(18) Uani 1 1 d . U . . .
H11' H 0.7399 0.5114 0.5325 0.083 Uiso 1 1 calc R . . . .
C12 C 0.6562(2) 0.3664(2) 0.7618(2) 0.0469(13) Uani 1 1 d . U . . .
C12' C 0.6720(3) 0.3756(2) 0.5963(3) 0.0644(17) Uani 1 1 d . U . . .
C13 C 0.6239(2) 0.3230(2) 0.7614(2) 0.0463(13) Uani 1 1 d . U . . .
H13 H 0.5949 0.3160 0.7607 0.056 Uiso 1 1 calc R . . . .
C13' C 0.7079(3) 0.3690(3) 0.5972(3) 0.0694(19) Uani 1 1 d . U . . .
H13' H 0.7358 0.3932 0.5985 0.083 Uiso 1 1 calc R . . . .
C14 C 0.5773(3) 0.4872(2) 0.8597(3) 0.0629(16) Uani 1 1 d . U . . .
C14' C 0.7176(3) 0.5528(3) 0.4689(3) 0.0750(19) Uani 1 1 d . U . . .
C15 C 0.5328(3) 0.4574(2) 0.8697(3) 0.0686(18) Uani 1 1 d . U . . .
C15' C 0.6855(4) 0.5185(4) 0.4392(3) 0.097(3) Uani 1 1 d . U . . .
C16 C 0.5245(3) 0.4398(3) 0.9191(3) 0.082(2) Uani 1 1 d . U . . .
H16 H 0.4960 0.4198 0.9280 0.098 Uiso 1 1 calc R . . . .
C16' C 0.7004(4) 0.5045(5) 0.3980(4) 0.115(4) Uani 1 1 d . U . . .
H16' H 0.6801 0.4823 0.3773 0.138 Uiso 1 1 calc R . . . .
C17 C 0.5567(4) 0.4508(3) 0.9553(3) 0.088(3) Uani 1 1 d . U . . .
C17' C 0.7438(5) 0.5222(6) 0.3869(5) 0.135(5) Uani 1 1 d . U . . .
C18 C 0.5990(4) 0.4799(4) 0.9423(3) 0.098(3) Uani 1 1 d . U . . .
H18 H 0.6208 0.4872 0.9665 0.117 Uiso 1 1 calc R . . . .
C18' C 0.7733(4) 0.5556(4) 0.4163(5) 0.105(3) Uani 1 1 d . U . . .
H18' H 0.8026 0.5684 0.4074 0.127 Uiso 1 1 calc R . . . .
C19 C 0.6105(3) 0.4992(3) 0.8939(3) 0.080(2) Uani 1 1 d . U . . .
C19' C 0.7622(3) 0.5719(4) 0.4595(4) 0.087(2) Uani 1 1 d . U . . .
C20 C 0.4985(3) 0.4441(3) 0.8327(4) 0.089(2) Uani 1 1 d . U . . .
H20A H 0.4939 0.4680 0.8253 0.133 Uiso 1 1 calc GR . . . .
H20B H 0.4722 0.4202 0.8461 0.133 Uiso 1 1 calc GR . . . .
H20C H 0.5065 0.4350 0.8019 0.133 Uiso 1 1 calc GR . . . .
C20' C 0.6390(4) 0.5001(5) 0.4497(4) 0.122(5) Uani 1 1 d . U . . .
H20D H 0.6306 0.4797 0.4773 0.183 Uiso 1 1 calc GR . . . .
H20E H 0.6226 0.4856 0.4198 0.183 Uiso 1 1 calc GR . . . .
H20F H 0.6334 0.5231 0.4589 0.183 Uiso 1 1 calc GR . . . .
C21 C 0.5467(5) 0.4308(4) 1.0084(4) 0.145(6) Uani 1 1 d . U . . .
H21A H 0.5434 0.4499 1.0316 0.218 Uiso 1 1 calc GR . . . .
H21B H 0.5701 0.4267 1.0196 0.218 Uiso 1 1 calc GR . . . .
H21C H 0.5202 0.4032 1.0074 0.218 Uiso 1 1 calc GR . . . .
C21' C 0.7572(7) 0.5042(7) 0.3408(7) 0.196(9) Uani 1 1 d . U . . .
H21D H 0.7810 0.5000 0.3504 0.294 Uiso 1 1 calc GR . . . .
H21E H 0.7660 0.5244 0.3130 0.294 Uiso 1 1 calc GR . . . .
H21F H 0.7329 0.4768 0.3304 0.294 Uiso 1 1 calc GR . . . .
C22 C 0.6565(3) 0.5301(4) 0.8803(4) 0.093(3) Uani 1 1 d . U . . .
H22A H 0.6665 0.5168 0.8560 0.139 Uiso 1 1 calc GR . . . .
H22B H 0.6742 0.5377 0.9105 0.139 Uiso 1 1 calc GR . . . .
H22C H 0.6585 0.5559 0.8657 0.139 Uiso 1 1 calc GR . . . .
C22' C 0.7940(3) 0.6064(3) 0.4923(5) 0.097(3) Uani 1 1 d . U . . .
H22D H 0.7903 0.6314 0.4901 0.146 Uiso 1 1 calc GR . . . .
H22E H 0.8229 0.6143 0.4815 0.146 Uiso 1 1 calc GR . . . .
H22F H 0.7898 0.5963 0.5270 0.146 Uiso 1 1 calc GR . . . .
C23 C 0.5918(3) 0.5865(3) 0.7309(3) 0.0756(19) Uani 1 1 d . U . . .
C23' C 0.6874(3) 0.6414(3) 0.5783(3) 0.081(2) Uani 1 1 d . U . . .
C24 C 0.5562(4) 0.5747(3) 0.7012(4) 0.089(2) Uani 1 1 d . U . . .
C24' C 0.7225(4) 0.6727(3) 0.6065(5) 0.104(3) Uani 1 1 d . U . . .
C25 C 0.5526(5) 0.6096(5) 0.6800(5) 0.115(3) Uani 1 1 d . U . . .
H25 H 0.5283 0.6034 0.6605 0.138 Uiso 1 1 calc R . . . .
C25' C 0.7195(5) 0.7090(4) 0.6203(6) 0.129(4) Uani 1 1 d . U . . .
H25' H 0.7412 0.7297 0.6411 0.155 Uiso 1 1 calc R . . . .
C26 C 0.5827(5) 0.6504(4) 0.6873(5) 0.112(3) Uani 1 1 d . U . . .
C26' C 0.6872(5) 0.7161(3) 0.6055(5) 0.108(3) Uani 1 1 d . U . . .
C27 C 0.6192(4) 0.6625(4) 0.7177(5) 0.104(3) Uani 1 1 d . U . . .
H27 H 0.6394 0.6917 0.7236 0.124 Uiso 1 1 calc R . . . .
C27' C 0.6549(4) 0.6862(4) 0.5769(4) 0.099(3) Uani 1 1 d . U . . .
H27' H 0.6332 0.6916 0.5658 0.119 Uiso 1 1 calc R . . . .
C28 C 0.6241(4) 0.6294(3) 0.7389(4) 0.088(2) Uani 1 1 d . U . . .
C28' C 0.6523(4) 0.6451(4) 0.5624(4) 0.088(2) Uani 1 1 d . U . . .
C29 C 0.5222(4) 0.5288(4) 0.6922(5) 0.114(3) Uani 1 1 d . U . . .
H29A H 0.5351 0.5135 0.6765 0.171 Uiso 1 1 calc GR . . . .
H29B H 0.5001 0.5279 0.6701 0.171 Uiso 1 1 calc GR . . . .
H29C H 0.5093 0.5152 0.7241 0.171 Uiso 1 1 calc GR . . . .
C29' C 0.7589(5) 0.6653(4) 0.6223(8) 0.167(7) Uani 1 1 d . U . . .
H29D H 0.7711 0.6594 0.5927 0.250 Uiso 1 1 calc GR . . . .
H29E H 0.7479 0.6408 0.6452 0.250 Uiso 1 1 calc GR . . . .
H29F H 0.7811 0.6907 0.6393 0.250 Uiso 1 1 calc GR . . . .
C30 C 0.5753(6) 0.6871(6) 0.6626(8) 0.186(9) Uani 1 1 d . U . . .
H30A H 0.5946 0.7146 0.6782 0.278 Uiso 1 1 calc GR . . . .
H30B H 0.5457 0.6801 0.6680 0.278 Uiso 1 1 calc GR . . . .
H30C H 0.5811 0.6888 0.6266 0.278 Uiso 1 1 calc GR . . . .
C30' C 0.6886(6) 0.7590(4) 0.6207(6) 0.144(5) Uani 1 1 d . U . . .
H30D H 0.7134 0.7832 0.6051 0.215 Uiso 1 1 calc GR . . . .
H30E H 0.6908 0.7623 0.6571 0.215 Uiso 1 1 calc GR . . . .
H30F H 0.6625 0.7583 0.6092 0.215 Uiso 1 1 calc GR . . . .
C31 C 0.6632(4) 0.6394(4) 0.7692(5) 0.108(3) Uani 1 1 d . U . . .
H31A H 0.6547 0.6279 0.8030 0.162 Uiso 1 1 calc GR . . . .
H31B H 0.6821 0.6704 0.7709 0.162 Uiso 1 1 calc GR . . . .
H31C H 0.6783 0.6264 0.7532 0.162 Uiso 1 1 calc GR . . . .
C31' C 0.6158(4) 0.6110(4) 0.5335(5) 0.115(4) Uani 1 1 d . U . . .
H31D H 0.6266 0.6046 0.5030 0.172 Uiso 1 1 calc GR . . . .
H31E H 0.5959 0.6208 0.5246 0.172 Uiso 1 1 calc GR . . . .
H31F H 0.6011 0.5852 0.5540 0.172 Uiso 1 1 calc GR . . . .
P1 P 0.56762(18) 0.69159(18) 0.4446(2) 0.1618(17) Uani 1 1 d D U . . .
F1 F 0.5238(5) 0.6485(4) 0.4574(7) 0.269(7) Uani 1 1 d D U . . .
F2 F 0.6130(5) 0.7322(5) 0.4338(11) 0.368(11) Uani 1 1 d D U . . .
F3 F 0.5835(5) 0.6598(5) 0.4268(8) 0.291(7) Uani 1 1 d D U . . .
F4 F 0.5574(8) 0.6871(6) 0.3868(5) 0.343(9) Uani 1 1 d D U . . .
F5 F 0.5450(4) 0.7183(4) 0.4548(6) 0.226(5) Uani 1 1 d D U . . .
F6 F 0.5742(18) 0.688(2) 0.5036(7) 0.388(14) Uani 0.5 1 d D U P A 2
F6A F 0.577(2) 0.6992(15) 0.5034(8) 0.371(13) Uani 0.5 1 d D U P A 1
Ag1 Ag 0.64673(2) 0.55000(2) 0.66172(2) 0.0605(2) Uani 1 1 d . U . . .


_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
N1 N2 1.335(8) . ?
N1 C5 1.329(9) . ?
N1 C23 1.452(9) . ?
N1' N2' 1.334(9) . ?
N1' C5' 1.368(9) . ?
N1' C23' 1.445(11) . ?
N2 N3 1.313(8) . ?
N2' N3' 1.340(10) . ?
N3 C4 1.389(9) . ?
N3 C14 1.449(9) . ?
N3' C4' 1.352(9) . ?
N3' C14' 1.454(10) . ?
C4 C5 1.376(10) . ?
C4 C6 1.466(9) . ?
C4' C5' 1.370(10) . ?
C4' C6' 1.474(10) . ?
C5 Ag1 2.113(7) . ?
C5' Ag1 2.097(7) . ?
C6 C7 1.379(10) . ?
C6 C11 1.381(10) . ?
C6' C7' 1.372(11) . ?
C6' C11' 1.402(11) . ?
C7 H7 0.9300 . ?
C7 C8 1.362(10) . ?
C7' H7' 0.9300 . ?
C7' C8' 1.382(11) . ?
C8 H8 0.9300 . ?
C8 C9 1.394(9) . ?
C8' H8' 0.9300 . ?
C8' C9' 1.401(11) . ?
C9 C10 1.390(9) . ?
C9 C12 1.489(9) . ?
C9' C10' 1.398(11) . ?
C9' C12' 1.454(11) . ?
C10 H10 0.9300 . ?
C10 C11 1.375(10) . ?
C10' H10' 0.9300 . ?
C10' C11' 1.371(11) . ?
C11 H11 0.9300 . ?
C11' H11' 0.9300 . ?
C12 C13 1.384(9) . ?
C12 C13 1.382(9) 3_665 ?
C12' C13' 1.385(11) 2_655 ?
C12' C13' 1.406(11) . ?
C13 C12 1.382(9) 2_655 ?
C13 H13 0.9300 . ?
C13' C12' 1.385(11) 3_665 ?
C13' H13' 0.9300 . ?
C14 C15 1.417(11) . ?
C14 C19 1.367(13) . ?
C14' C15' 1.413(15) . ?
C14' C19' 1.395(13) . ?
C15 C16 1.404(12) . ?
C15 C20 1.438(13) . ?
C15' C16' 1.398(14) . ?
C15' C20' 1.462(15) . ?
C16 H16 0.9300 . ?
C16 C17 1.381(15) . ?
C16' H16' 0.9300 . ?
C16' C17' 1.371(18) . ?
C17 C18 1.374(15) . ?
C17 C21 1.519(13) . ?
C17' C18' 1.361(19) . ?
C17' C21' 1.550(18) . ?
C18 H18 0.9300 . ?
C18 C19 1.401(12) . ?
C18' H18' 0.9300 . ?
C18' C19' 1.415(15) . ?
C19 C22 1.483(13) . ?
C19' C22' 1.459(15) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C20' H20D 0.9600 . ?
C20' H20E 0.9600 . ?
C20' H20F 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C21' H21D 0.9600 . ?
C21' H21E 0.9600 . ?
C21' H21F 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C22' H22D 0.9600 . ?
C22' H22E 0.9600 . ?
C22' H22F 0.9600 . ?
C23 C24 1.360(14) . ?
C23 C28 1.391(14) . ?
C23' C24' 1.395(15) . ?
C23' C28' 1.380(14) . ?
C24 C25 1.417(14) . ?
C24 C29 1.483(16) . ?
C24' C25' 1.392(17) . ?
C24' C29' 1.500(18) . ?
C25 H25 0.9300 . ?
C25 C26 1.315(19) . ?
C25' H25' 0.9300 . ?
C25' C26' 1.347(19) . ?
C26 C27 1.392(18) . ?
C26 C30 1.588(15) . ?
C26' C27' 1.336(17) . ?
C26' C30' 1.550(17) . ?
C27 H27 0.9300 . ?
C27 C28 1.386(14) . ?
C27' H27' 0.9300 . ?
C27' C28' 1.464(15) . ?
C28 C31 1.479(16) . ?
C28' C31' 1.464(16) . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C29' H29D 0.9600 . ?
C29' H29E 0.9600 . ?
C29' H29F 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C30' H30D 0.9600 . ?
C30' H30E 0.9600 . ?
C30' H30F 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C31' H31D 0.9600 . ?
C31' H31E 0.9600 . ?
C31' H31F 0.9600 . ?
P1 F1 1.578(11) . ?
P1 F2 1.559(12) . ?
P1 F3 1.562(10) . ?
P1 F4 1.546(11) . ?
P1 F5 1.540(10) . ?
P1 F6 1.578(14) . ?
P1 F6A 1.569(14) . ?

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
N2 N1 C23 117.1(6) . . ?
C5 N1 N2 115.4(6) . . ?
C5 N1 C23 127.4(6) . . ?
N2' N1' C5' 114.4(6) . . ?
N2' N1' C23' 118.2(6) . . ?
C5' N1' C23' 127.3(6) . . ?
N3 N2 N1 102.5(5) . . ?
N1' N2' N3' 102.5(5) . . ?
N2 N3 C4 112.7(5) . . ?
N2 N3 C14 117.6(5) . . ?
C4 N3 C14 129.6(6) . . ?
N2' N3' C4' 112.7(6) . . ?
N2' N3' C14' 118.7(6) . . ?
C4' N3' C14' 128.6(7) . . ?
N3 C4 C6 123.6(6) . . ?
C5 C4 N3 104.9(6) . . ?
C5 C4 C6 131.5(6) . . ?
N3' C4' C5' 107.0(6) . . ?
N3' C4' C6' 123.8(6) . . ?
C5' C4' C6' 129.2(6) . . ?
N1 C5 C4 104.4(6) . . ?
N1 C5 Ag1 120.6(5) . . ?
C4 C5 Ag1 134.9(5) . . ?
N1' C5' C4' 103.5(6) . . ?
N1' C5' Ag1 127.5(5) . . ?
C4' C5' Ag1 128.9(5) . . ?
C7 C6 C4 122.1(6) . . ?
C7 C6 C11 118.3(6) . . ?
C11 C6 C4 119.5(6) . . ?
C7' C6' C4' 119.2(7) . . ?
C7' C6' C11' 119.8(7) . . ?
C11' C6' C4' 120.9(7) . . ?
C6 C7 H7 119.7 . . ?
C8 C7 C6 120.6(6) . . ?
C8 C7 H7 119.7 . . ?
C6' C7' H7' 120.0 . . ?
C6' C7' C8' 120.1(7) . . ?
C8' C7' H7' 120.0 . . ?
C7 C8 H8 119.0 . . ?
C7 C8 C9 122.1(6) . . ?
C9 C8 H8 119.0 . . ?
C7' C8' H8' 119.1 . . ?
C7' C8' C9' 121.9(7) . . ?
C9' C8' H8' 119.1 . . ?
C8 C9 C12 120.7(6) . . ?
C10 C9 C8 117.0(6) . . ?
C10 C9 C12 122.4(6) . . ?
C8' C9' C12' 122.1(7) . . ?
C10' C9' C8' 116.4(7) . . ?
C10' C9' C12' 121.5(7) . . ?
C9 C10 H10 119.6 . . ?
C11 C10 C9 120.8(6) . . ?
C11 C10 H10 119.6 . . ?
C9' C10' H10' 118.7 . . ?
C11' C10' C9' 122.5(7) . . ?
C11' C10' H10' 118.7 . . ?
C6 C11 H11 119.3 . . ?
C10 C11 C6 121.3(6) . . ?
C10 C11 H11 119.3 . . ?
C6' C11' H11' 120.4 . . ?
C10' C11' C6' 119.3(7) . . ?
C10' C11' H11' 120.4 . . ?
C13 C12 C9 121.1(6) 3_665 . ?
C13 C12 C9 120.8(6) . . ?
C13 C12 C13 118.0(6) 3_665 . ?
C13' C12' C9' 121.0(7) 2_655 . ?
C13' C12' C9' 121.5(7) . . ?
C13' C12' C13' 117.2(8) 2_655 . ?
C12 C13 C12 121.9(6) 2_655 . ?
C12 C13 H13 119.0 2_655 . ?
C12 C13 H13 119.0 . . ?
C12' C13' C12' 122.8(8) 3_665 . ?
C12' C13' H13' 118.6 . . ?
C12' C13' H13' 118.6 3_665 . ?
C15 C14 N3 117.4(7) . . ?
C19 C14 N3 117.4(7) . . ?
C19 C14 C15 125.2(7) . . ?
C15' C14' N3' 117.7(7) . . ?
C19' C14' N3' 118.3(9) . . ?
C19' C14' C15' 123.6(9) . . ?
C14 C15 C20 124.4(7) . . ?
C16 C15 C14 114.1(8) . . ?
C16 C15 C20 121.4(8) . . ?
C14' C15' C20' 121.7(9) . . ?
C16' C15' C14' 116.3(10) . . ?
C16' C15' C20' 121.9(11) . . ?
C15 C16 H16 118.4 . . ?
C17 C16 C15 123.3(9) . . ?
C17 C16 H16 118.4 . . ?
C15' C16' H16' 118.7 . . ?
C17' C16' C15' 122.5(13) . . ?
C17' C16' H16' 118.7 . . ?
C16 C17 C21 122.0(10) . . ?
C18 C17 C16 118.6(8) . . ?
C18 C17 C21 119.4(11) . . ?
C16' C17' C21' 118.8(15) . . ?
C18' C17' C16' 118.7(11) . . ?
C18' C17' C21' 122.5(14) . . ?
C17 C18 H18 118.8 . . ?
C17 C18 C19 122.3(10) . . ?
C19 C18 H18 118.8 . . ?
C17' C18' H18' 118.1 . . ?
C17' C18' C19' 123.8(10) . . ?
C19' C18' H18' 118.1 . . ?
C14 C19 C18 116.4(9) . . ?
C14 C19 C22 122.1(8) . . ?
C18 C19 C22 121.5(9) . . ?
C14' C19' C18' 115.0(11) . . ?
C14' C19' C22' 121.1(9) . . ?
C18' C19' C22' 123.9(10) . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C15' C20' H20D 109.5 . . ?
C15' C20' H20E 109.5 . . ?
C15' C20' H20F 109.5 . . ?
H20D C20' H20E 109.5 . . ?
H20D C20' H20F 109.5 . . ?
H20E C20' H20F 109.5 . . ?
C17 C21 H21A 109.5 . . ?
C17 C21 H21B 109.5 . . ?
C17 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C17' C21' H21D 109.5 . . ?
C17' C21' H21E 109.5 . . ?
C17' C21' H21F 109.5 . . ?
H21D C21' H21E 109.5 . . ?
H21D C21' H21F 109.5 . . ?
H21E C21' H21F 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C19' C22' H22D 109.5 . . ?
C19' C22' H22E 109.5 . . ?
C19' C22' H22F 109.5 . . ?
H22D C22' H22E 109.5 . . ?
H22D C22' H22F 109.5 . . ?
H22E C22' H22F 109.5 . . ?
C24 C23 N1 118.0(8) . . ?
C24 C23 C28 123.6(8) . . ?
C28 C23 N1 118.4(9) . . ?
C24' C23' N1' 118.4(9) . . ?
C28' C23' N1' 116.5(9) . . ?
C28' C23' C24' 125.0(10) . . ?
C23 C24 C25 115.6(11) . . ?
C23 C24 C29 123.2(9) . . ?
C25 C24 C29 121.2(11) . . ?
C23' C24' C29' 120.7(10) . . ?
C25' C24' C23' 115.0(11) . . ?
C25' C24' C29' 124.3(12) . . ?
C24 C25 H25 119.1 . . ?
C26 C25 C24 121.8(13) . . ?
C26 C25 H25 119.1 . . ?
C24' C25' H25' 117.8 . . ?
C26' C25' C24' 124.4(14) . . ?
C26' C25' H25' 117.8 . . ?
C25 C26 C27 122.7(10) . . ?
C25 C26 C30 117.9(15) . . ?
C27 C26 C30 119.3(14) . . ?
C25' C26' C30' 119.8(14) . . ?
C27' C26' C25' 118.9(12) . . ?
C27' C26' C30' 121.3(13) . . ?
C26 C27 H27 121.3 . . ?
C28 C27 C26 117.3(11) . . ?
C28 C27 H27 121.3 . . ?
C26' C27' H27' 118.7 . . ?
C26' C27' C28' 122.6(11) . . ?
C28' C27' H27' 118.7 . . ?
C23 C28 C31 120.2(9) . . ?
C27 C28 C23 118.9(11) . . ?
C27 C28 C31 120.8(10) . . ?
C23' C28' C27' 113.9(10) . . ?
C23' C28' C31' 123.0(10) . . ?
C31' C28' C27' 123.1(10) . . ?
C24 C29 H29A 109.5 . . ?
C24 C29 H29B 109.5 . . ?
C24 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C24' C29' H29D 109.5 . . ?
C24' C29' H29E 109.5 . . ?
C24' C29' H29F 109.5 . . ?
H29D C29' H29E 109.5 . . ?
H29D C29' H29F 109.5 . . ?
H29E C29' H29F 109.5 . . ?
C26 C30 H30A 109.5 . . ?
C26 C30 H30B 109.5 . . ?
C26 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C26' C30' H30D 109.5 . . ?
C26' C30' H30E 109.5 . . ?
C26' C30' H30F 109.5 . . ?
H30D C30' H30E 109.5 . . ?
H30D C30' H30F 109.5 . . ?
H30E C30' H30F 109.5 . . ?
C28 C31 H31A 109.5 . . ?
C28 C31 H31B 109.5 . . ?
C28 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C28' C31' H31D 109.5 . . ?
C28' C31' H31E 109.5 . . ?
C28' C31' H31F 109.5 . . ?
H31D C31' H31E 109.5 . . ?
H31D C31' H31F 109.5 . . ?
H31E C31' H31F 109.5 . . ?
F2 P1 F1 175.1(13) . . ?
F2 P1 F3 92.0(8) . . ?
F2 P1 F6 97(3) . . ?
F2 P1 F6A 90(3) . . ?
F3 P1 F1 84.3(8) . . ?
F3 P1 F6 96.5(15) . . ?
F3 P1 F6A 107.5(19) . . ?
F4 P1 F1 92.4(9) . . ?
F4 P1 F2 89.9(14) . . ?
F4 P1 F3 77.5(11) . . ?
F4 P1 F6 171(2) . . ?
F4 P1 F6A 175.0(18) . . ?
F5 P1 F1 89.6(9) . . ?
F5 P1 F2 94.5(10) . . ?
F5 P1 F3 169.1(10) . . ?
F5 P1 F4 93.8(11) . . ?
F5 P1 F6 91.3(11) . . ?
F5 P1 F6A 81(2) . . ?
F6 P1 F1 80(2) . . ?
F6A P1 F1 89(3) . . ?
C5' Ag1 C5 177.9(3) . . ?

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
N1 N2 N3 C4 -0.6(8) . . . . ?
N1 N2 N3 C14 175.1(7) . . . . ?
N1 C23 C24 C25 179.4(8) . . . . ?
N1 C23 C24 C29 1.1(14) . . . . ?
N1 C23 C28 C27 -179.0(8) . . . . ?
N1 C23 C28 C31 1.8(12) . . . . ?
N1' N2' N3' C4' -0.6(8) . . . . ?
N1' N2' N3' C14' 177.2(7) . . . . ?
N1' C23' C24' C25' 179.3(10) . . . . ?
N1' C23' C24' C29' -3.9(17) . . . . ?
N1' C23' C28' C27' -175.7(8) . . . . ?
N1' C23' C28' C31' 4.3(14) . . . . ?
N2 N1 C5 C4 1.1(9) . . . . ?
N2 N1 C5 Ag1 -177.3(5) . . . . ?
N2 N1 C23 C24 -91.0(9) . . . . ?
N2 N1 C23 C28 91.0(9) . . . . ?
N2 N3 C4 C5 1.3(9) . . . . ?
N2 N3 C4 C6 -178.3(7) . . . . ?
N2 N3 C14 C15 76.2(9) . . . . ?
N2 N3 C14 C19 -102.5(9) . . . . ?
N2' N1' C5' C4' 0.1(9) . . . . ?
N2' N1' C5' Ag1 -176.2(5) . . . . ?
N2' N1' C23' C24' -92.2(10) . . . . ?
N2' N1' C23' C28' 84.7(10) . . . . ?
N2' N3' C4' C5' 0.7(8) . . . . ?
N2' N3' C4' C6' -178.0(7) . . . . ?
N2' N3' C14' C15' -109.8(10) . . . . ?
N2' N3' C14' C19' 77.2(10) . . . . ?
N3 C4 C5 N1 -1.3(8) . . . . ?
N3 C4 C5 Ag1 176.7(6) . . . . ?
N3 C4 C6 C7 33.4(11) . . . . ?
N3 C4 C6 C11 -149.6(7) . . . . ?
N3 C14 C15 C16 -179.1(7) . . . . ?
N3 C14 C15 C20 3.7(12) . . . . ?
N3 C14 C19 C18 178.9(8) . . . . ?
N3 C14 C19 C22 -2.2(13) . . . . ?
N3' C4' C5' N1' -0.4(8) . . . . ?
N3' C4' C5' Ag1 175.8(5) . . . . ?
N3' C4' C6' C7' -146.3(7) . . . . ?
N3' C4' C6' C11' 37.7(11) . . . . ?
N3' C14' C15' C16' -173.8(9) . . . . ?
N3' C14' C15' C20' 8.9(15) . . . . ?
N3' C14' C19' C18' 174.8(8) . . . . ?
N3' C14' C19' C22' -5.7(13) . . . . ?
C4 N3 C14 C15 -108.9(9) . . . . ?
C4 N3 C14 C19 72.3(11) . . . . ?
C4 C6 C7 C8 177.3(7) . . . . ?
C4 C6 C11 C10 -177.1(6) . . . . ?
C4' N3' C14' C15' 67.7(11) . . . . ?
C4' N3' C14' C19' -105.4(10) . . . . ?
C4' C6' C7' C8' -177.0(7) . . . . ?
C4' C6' C11' C10' 177.8(7) . . . . ?
C5 N1 N2 N3 -0.3(9) . . . . ?
C5 N1 C23 C24 86.8(11) . . . . ?
C5 N1 C23 C28 -91.3(10) . . . . ?
C5 C4 C6 C7 -146.1(8) . . . . ?
C5 C4 C6 C11 30.9(12) . . . . ?
C5' N1' N2' N3' 0.3(9) . . . . ?
C5' N1' C23' C24' 82.4(12) . . . . ?
C5' N1' C23' C28' -100.7(10) . . . . ?
C5' C4' C6' C7' 35.4(11) . . . . ?
C5' C4' C6' C11' -140.7(8) . . . . ?
C6 C4 C5 N1 178.2(8) . . . . ?
C6 C4 C5 Ag1 -3.7(14) . . . . ?
C6 C7 C8 C9 -1.0(11) . . . . ?
C6' C4' C5' N1' 178.1(7) . . . . ?
C6' C4' C5' Ag1 -5.7(11) . . . . ?
C6' C7' C8' C9' -2.1(12) . . . . ?
C7 C6 C11 C10 0.1(11) . . . . ?
C7 C8 C9 C10 1.4(10) . . . . ?
C7 C8 C9 C12 -179.9(6) . . . . ?
C7' C6' C11' C10' 1.7(12) . . . . ?
C7' C8' C9' C10' 4.1(11) . . . . ?
C7' C8' C9' C12' -172.9(7) . . . . ?
C8 C9 C10 C11 -1.1(10) . . . . ?
C8 C9 C12 C13 -145.0(6) . . . 3_665 ?
C8 C9 C12 C13 33.7(9) . . . . ?
C8' C9' C10' C11' -3.3(12) . . . . ?
C8' C9' C12' C13' -154.3(8) . . . . ?
C8' C9' C12' C13' 31.9(12) . . . 2_655 ?
C9 C10 C11 C6 0.4(11) . . . . ?
C9 C12 C13 C12 -177.0(4) . . . 2_655 ?
C9' C10' C11' C6' 0.5(13) . . . . ?
C9' C12' C13' C12' -170.5(5) . . . 3_665 ?
C10 C9 C12 C13 33.7(9) . . . 3_665 ?
C10 C9 C12 C13 -147.7(6) . . . . ?
C10' C9' C12' C13' 28.9(12) . . . . ?
C10' C9' C12' C13' -144.9(8) . . . 2_655 ?
C11 C6 C7 C8 0.2(11) . . . . ?
C11' C6' C7' C8' -0.9(11) . . . . ?
C12 C9 C10 C11 -179.8(6) . . . . ?
C12' C9' C10' C11' 173.7(8) . . . . ?
C13 C12 C13 C12 1.7(12) 3_665 . . 2_655 ?
C13' C12' C13' C12' 3.5(16) 2_655 . . 3_665 ?
C14 N3 C4 C5 -173.8(8) . . . . ?
C14 N3 C4 C6 6.6(12) . . . . ?
C14 C15 C16 C17 0.7(12) . . . . ?
C14' N3' C4' C5' -176.9(7) . . . . ?
C14' N3' C4' C6' 4.4(12) . . . . ?
C14' C15' C16' C17' 1(2) . . . . ?
C15 C14 C19 C18 0.3(14) . . . . ?
C15 C14 C19 C22 179.1(9) . . . . ?
C15 C16 C17 C18 -0.7(15) . . . . ?
C15 C16 C17 C21 -179.4(10) . . . . ?
C15' C14' C19' C18' 2.2(14) . . . . ?
C15' C14' C19' C22' -178.4(9) . . . . ?
C15' C16' C17' C18' -2(2) . . . . ?
C15' C16' C17' C21' 179.3(15) . . . . ?
C16 C17 C18 C19 0.5(17) . . . . ?
C16' C17' C18' C19' 3(2) . . . . ?
C17 C18 C19 C14 -0.3(16) . . . . ?
C17 C18 C19 C22 -179.2(10) . . . . ?
C17' C18' C19' C14' -3.3(18) . . . . ?
C17' C18' C19' C22' 177.3(13) . . . . ?
C19 C14 C15 C16 -0.5(12) . . . . ?
C19 C14 C15 C20 -177.7(9) . . . . ?
C19' C14' C15' C16' -1.1(16) . . . . ?
C19' C14' C15' C20' -178.4(11) . . . . ?
C20 C15 C16 C17 178.0(9) . . . . ?
C20' C15' C16' C17' 178.2(14) . . . . ?
C21 C17 C18 C19 179.2(11) . . . . ?
C21' C17' C18' C19' -178.0(14) . . . . ?
C23 N1 N2 N3 177.7(7) . . . . ?
C23 N1 C5 C4 -176.7(8) . . . . ?
C23 N1 C5 Ag1 4.9(12) . . . . ?
C23 C24 C25 C26 2.4(17) . . . . ?
C23' N1' N2' N3' 175.6(7) . . . . ?
C23' N1' C5' C4' -174.7(8) . . . . ?
C23' N1' C5' Ag1 9.0(12) . . . . ?
C23' C24' C25' C26' -4(2) . . . . ?
C24 C23 C28 C27 3.1(14) . . . . ?
C24 C23 C28 C31 -176.1(9) . . . . ?
C24 C25 C26 C27 -2.7(19) . . . . ?
C24 C25 C26 C30 -179.2(11) . . . . ?
C24' C23' C28' C27' 1.0(14) . . . . ?
C24' C23' C28' C31' -179.0(11) . . . . ?
C24' C25' C26' C27' 2(2) . . . . ?
C24' C25' C26' C30' -176.5(13) . . . . ?
C25 C26 C27 C28 2.9(17) . . . . ?
C25' C26' C27' C28' 2.2(18) . . . . ?
C26 C27 C28 C23 -3.0(14) . . . . ?
C26 C27 C28 C31 176.2(10) . . . . ?
C26' C27' C28' C23' -3.6(15) . . . . ?
C26' C27' C28' C31' 176.4(11) . . . . ?
C28 C23 C24 C25 -2.6(14) . . . . ?
C28 C23 C24 C29 179.1(10) . . . . ?
C28' C23' C24' C25' 2.6(17) . . . . ?
C28' C23' C24' C29' 179.4(13) . . . . ?
C29 C24 C25 C26 -179.3(12) . . . . ?
C29' C24' C25' C26' 179.0(15) . . . . ?
C30 C26 C27 C28 179.4(10) . . . . ?
C30' C26' C27' C28' -179.3(10) . . . . ?

loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
11 -5 15 0.0233 11.3221 -4.6822 14.9250 0.9597 0.2982 -0.0819
-13 -2 -13 0.0283 -12.9702 -2.3694 -12.5104 -1.0201 0.1210 0.0373
13 2 12 0.0216 12.9520 2.3034 11.5116 0.9745 -0.1405 -0.0055
12 11 1 0.0488 12.4095 10.7811 1.0716 0.6310 -0.7596 0.2111
1 17 -8 0.0484 1.1560 16.8749 -7.9113 -0.0421 -0.9879 0.0914
-1 -17 8 0.0484 -1.1560 -16.8749 7.9113 0.0421 0.9879 -0.0914
17 -13 -10 0.0484 17.0460 -13.2117 -9.8864 -0.0789 -0.0111 0.9683
-17 13 10 0.0484 -17.0460 13.2117 9.8864 0.0789 0.0111 -0.9683
-11 5 -15 0.0233 -11.3221 4.6822 -14.9250 -0.9597 -0.2982 0.0819

_olex2_submission_special_instructions 'No special instructions were received'
_platon_squeeze_details          
;
;
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.052 -0.026 -0.001 7047 1858 ' '
2 -0.013 0.478 0.053 20 3 ' '
3 0.013 0.523 0.943 18 2 ' '
4 0.145 0.824 0.281 19 2 ' '
5 0.157 0.346 0.386 20 2 ' '
6 0.176 0.320 0.276 18 2 ' '
7 0.190 0.843 0.391 18 3 ' '
8 0.321 0.145 0.719 20 3 ' '
9 0.347 0.190 0.609 18 2 ' '
10 0.478 0.491 0.947 19 2 ' '
11 0.491 0.012 0.053 20 2 ' '
12 0.510 0.986 0.943 18 2 ' '
13 0.523 0.510 0.057 19 2 ' '
14 0.654 0.812 0.386 20 3 ' '
15 0.680 0.857 0.276 18 2 ' '
16 0.812 0.158 0.614 19 2 ' '
17 0.824 0.679 0.720 20 2 ' '
18 0.843 0.653 0.609 18 2 ' '
19 0.857 0.176 0.724 19 2 ' '


_exptl_crystal_recrystallization_method 'Vapour Deposition'
_chemical_properties_physical    
'Air-sensitive, Heat-sensitive, Light-sensitive'
