# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2014

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#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
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#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
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data_aaa

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C67 H90 Ag15 F6 N3 O4'
_chemical_formula_weight         2733.47

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'
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'
Ag Ag -0.8971 1.1015 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/c

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

_cell_length_a                   14.6834(14)
_cell_length_b                   14.9015(14)
_cell_length_c                   20.0367(18)
_cell_angle_alpha                90.00
_cell_angle_beta                 107.3150(10)
_cell_angle_gamma                90.00
_cell_volume                     4185.4(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    20654
_cell_measurement_theta_min      1.45
_cell_measurement_theta_max      25.00

_exptl_crystal_description       strip
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.23
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.169
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2608
_exptl_absorpt_coefficient_mu    3.475
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4652
_exptl_absorpt_correction_T_max  0.5020
_exptl_absorpt_process_details   'SADABS, Sheldrick (2008)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART Apex II CCD Detector'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            20654
_diffrn_reflns_av_R_equivalents  0.0511
_diffrn_reflns_av_sigmaI/netI    0.0632
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.45
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7327
_reflns_number_gt                4486
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'SHELXS-97 (Sheldrick, 2008)'
_computing_publication_material  ?

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2σ(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.

 The C and N atoms of cyanogroup and the F atoms of trifluoroacetic 
 acid were disordered and refined with splitting mode.
 The occupancy factors of the disordered atoms as follows:
 C33:N1 0.5:0.5
 C34:N2 0.5:0.5
 C35:N3 0.5:0.5
 F1:F1' 0.5:0.5
 F2:F2' 0.5:0.5
 F3:F3' 0.5:0.5
 To assist the refinement of this cluster, several restraints
 were applied: 
 1. the bond length of some C-F and C-C bonds of disordered atoms 
 were restrained with DFIX instructions; 
 DFIX 1.30 0.01 C2 F1 C2 F2 C2 F3 C2 F1' C2 F2' C2 F3'
 DFIX 1.535 0.001 C1 C2 C17 C18 C17 C19 C17 C20
 DFIX 1.30 0.01 C3 C4 C9 C10 C15 C16 C21 C22 C27 C28
 2. Some C atoms with ADP or NPD were restrained
 by the ISOR instructions;
 ISOR 0.05 0.02 C14 C17 C19 C20 C23 C24 C25 C26
 3. C1-C2, C17-C19, and C17-C20 with Hirshfeld Test Diff were 
 restrained to have a close to the displacement parameters within 
 a specified range by the DELU instruction; 
 DELU 0.01 C1 C2 C17 C19 C17 C20
 4. The large Ueq(max)/Ueq(min) for the different C atoms of the 
 non-solvent molecules may be caused by the overlarge thermal 
 vibration; so all the C atoms were restrained to have a close
 to the displacement parameters within a specified range by the 
 SIMU instruction.
 SIMU 0.01 0.02 6.5 $C
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0687P)²+17.7512P] 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         7327
_refine_ls_number_parameters     413
_refine_ls_number_restraints     1639
_refine_ls_R_factor_all          0.0991
_refine_ls_R_factor_gt           0.0553
_refine_ls_wR_factor_ref         0.1572
_refine_ls_wR_factor_gt          0.1356
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_restrained_S_all      0.972
_refine_ls_shift/su_max          0.000
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.0000 0.0000 0.0000 0.0414(3) Uani 1 2 d S . .
Ag2 Ag -0.03679(6) -0.20475(6) 0.03336(4) 0.0520(2) Uani 1 1 d . . .
Ag3 Ag 0.15420(6) 0.10111(6) 0.09561(4) 0.0578(3) Uani 1 1 d . . .
Ag4 Ag -0.06561(6) 0.16211(6) 0.08359(4) 0.0580(3) Uani 1 1 d . . .
Ag5 Ag 0.17198(6) -0.10995(6) 0.06501(5) 0.0595(3) Uani 1 1 d . . .
Ag6 Ag 0.09172(7) 0.30220(7) 0.13287(5) 0.0718(3) Uani 1 1 d . . .
Ag7 Ag 0.00620(8) -0.05362(6) 0.14759(5) 0.0729(3) Uani 1 1 d . . .
Ag8 Ag 0.09219(7) -0.34849(7) -0.01144(5) 0.0749(3) Uani 1 1 d . . .
C1 C 0.3541(7) -0.0018(11) 0.1590(7) 0.0770(17) Uani 1 1 d DU A .
C2 C 0.4602(7) 0.0011(8) 0.2011(6) 0.0806(18) Uani 1 1 d DU . .
C3 C 0.0776(8) -0.1828(8) 0.1215(6) 0.0680(16) Uani 1 1 d DU . .
C4 C 0.1423(8) -0.2217(8) 0.1696(6) 0.0660(16) Uani 1 1 d DU . .
C5 C 0.2041(9) -0.2732(9) 0.2258(6) 0.0704(18) Uani 1 1 d U . .
C6 C 0.2093(11) -0.3659(9) 0.1952(7) 0.086(3) Uani 1 1 d U . .
H6A H 0.2503 -0.4037 0.2302 0.129 Uiso 1 1 calc R . .
H6B H 0.2343 -0.3608 0.1562 0.129 Uiso 1 1 calc R . .
H6C H 0.1465 -0.3916 0.1798 0.129 Uiso 1 1 calc R . .
C7 C 0.1610(10) -0.2761(9) 0.2857(7) 0.082(3) Uani 1 1 d U . .
H7A H 0.2013 -0.3107 0.3235 0.122 Uiso 1 1 calc R . .
H7B H 0.0990 -0.3033 0.2701 0.122 Uiso 1 1 calc R . .
H7C H 0.1552 -0.2161 0.3015 0.122 Uiso 1 1 calc R . .
C8 C 0.3037(10) -0.2309(10) 0.2492(7) 0.085(3) Uani 1 1 d U . .
H8A H 0.3447 -0.2660 0.2862 0.127 Uiso 1 1 calc R . .
H8B H 0.2994 -0.1710 0.2655 0.127 Uiso 1 1 calc R . .
H8C H 0.3294 -0.2292 0.2104 0.127 Uiso 1 1 calc R . .
C9 C 0.0444(9) 0.1055(9) 0.1609(6) 0.0701(14) Uani 1 1 d DU . .
C10 C 0.1016(9) 0.0895(9) 0.2213(6) 0.0712(14) Uani 1 1 d DU . .
C11 C 0.1624(10) 0.0862(9) 0.2930(7) 0.0770(16) Uani 1 1 d U . .
C12 C 0.2459(10) 0.1504(10) 0.3023(7) 0.089(2) Uani 1 1 d U . .
H12A H 0.2868 0.1472 0.3496 0.134 Uiso 1 1 calc R . .
H12B H 0.2223 0.2106 0.2923 0.134 Uiso 1 1 calc R . .
H12C H 0.2814 0.1341 0.2709 0.134 Uiso 1 1 calc R . .
C13 C 0.1059(11) 0.1141(10) 0.3430(7) 0.091(3) Uani 1 1 d U . .
H13A H 0.1466 0.1106 0.3904 0.137 Uiso 1 1 calc R . .
H13B H 0.0525 0.0745 0.3371 0.137 Uiso 1 1 calc R . .
H13C H 0.0835 0.1745 0.3329 0.137 Uiso 1 1 calc R . .
C14 C 0.2006(11) -0.0088(10) 0.3096(7) 0.095(2) Uani 1 1 d U . .
H14A H 0.2407 -0.0115 0.3572 0.143 Uiso 1 1 calc R . .
H14B H 0.2371 -0.0251 0.2789 0.143 Uiso 1 1 calc R . .
H14C H 0.1483 -0.0497 0.3034 0.143 Uiso 1 1 calc R . .
C15 C 0.1489(8) 0.2538(9) 0.0456(6) 0.0718(17) Uani 1 1 d DU . .
C16 C 0.2230(9) 0.2946(9) 0.0827(6) 0.0749(18) Uani 1 1 d DU . .
C17 C 0.3123(9) 0.3388(7) 0.1160(5) 0.0817(19) Uani 1 1 d DU . .
C18 C 0.2937(11) 0.4354(8) 0.1353(8) 0.104(3) Uani 1 1 d DU . .
H18A H 0.2503 0.4347 0.1628 0.155 Uiso 1 1 calc R . .
H18B H 0.2665 0.4693 0.0934 0.155 Uiso 1 1 calc R . .
H18C H 0.3528 0.4624 0.1617 0.155 Uiso 1 1 calc R . .
C19 C 0.3665(11) 0.3500(12) 0.0618(7) 0.115(3) Uani 1 1 d DU . .
H19A H 0.3501 0.4066 0.0384 0.172 Uiso 1 1 calc R . .
H19B H 0.3495 0.3023 0.0282 0.172 Uiso 1 1 calc R . .
H19C H 0.4339 0.3482 0.0849 0.172 Uiso 1 1 calc R . .
C20 C 0.3582(12) 0.2991(11) 0.1890(6) 0.112(3) Uani 1 1 d DU . .
H20A H 0.3150 0.3050 0.2165 0.167 Uiso 1 1 calc R . .
H20B H 0.4163 0.3306 0.2113 0.167 Uiso 1 1 calc R . .
H20C H 0.3720 0.2368 0.1847 0.167 Uiso 1 1 calc R . .
C21 C -0.1800(8) 0.2385(9) 0.0233(6) 0.0676(17) Uani 1 1 d DU . .
C22 C -0.2662(8) 0.2666(9) 0.0026(6) 0.0674(17) Uani 1 1 d DU . .
C23 C -0.3634(9) 0.2959(9) -0.0162(6) 0.068(2) Uani 1 1 d U . .
C24 C -0.4229(10) 0.2182(10) 0.0038(8) 0.098(3) Uani 1 1 d U . .
H24A H -0.4889 0.2353 -0.0086 0.147 Uiso 1 1 calc R . .
H24B H -0.3996 0.2073 0.0532 0.147 Uiso 1 1 calc R . .
H24C H -0.4166 0.1646 -0.0211 0.147 Uiso 1 1 calc R . .
C25 C -0.4000(11) 0.3125(11) -0.0930(8) 0.101(3) Uani 1 1 d U . .
H25A H -0.4649 0.3328 -0.1049 0.152 Uiso 1 1 calc R . .
H25B H -0.3970 0.2578 -0.1177 0.152 Uiso 1 1 calc R . .
H25C H -0.3615 0.3574 -0.1059 0.152 Uiso 1 1 calc R . .
C26 C -0.3706(11) 0.3776(11) 0.0266(9) 0.105(3) Uani 1 1 d U . .
H26A H -0.4358 0.3973 0.0143 0.158 Uiso 1 1 calc R . .
H26B H -0.3315 0.4247 0.0173 0.158 Uiso 1 1 calc R . .
H26C H -0.3492 0.3626 0.0754 0.158 Uiso 1 1 calc R . .
C27 C -0.1338(8) -0.0154(8) 0.0137(6) 0.0633(16) Uani 1 1 d DU . .
C28 C -0.2025(8) -0.0355(8) 0.0369(6) 0.0608(16) Uani 1 1 d DU . .
C29 C -0.2802(8) -0.0596(8) 0.0647(6) 0.0613(16) Uani 1 1 d U . .
C30 C -0.3727(9) -0.0518(9) 0.0061(7) 0.076(2) Uani 1 1 d U . .
H30A H -0.4251 -0.0674 0.0233 0.114 Uiso 1 1 calc R . .
H30B H -0.3713 -0.0918 -0.0311 0.114 Uiso 1 1 calc R . .
H30C H -0.3805 0.0088 -0.0110 0.114 Uiso 1 1 calc R . .
C31 C -0.2786(10) 0.0047(9) 0.1238(7) 0.078(2) Uani 1 1 d U . .
H31A H -0.3297 -0.0098 0.1427 0.117 Uiso 1 1 calc R . .
H31B H -0.2862 0.0650 0.1063 0.117 Uiso 1 1 calc R . .
H31C H -0.2188 -0.0007 0.1598 0.117 Uiso 1 1 calc R . .
C32 C -0.2669(9) -0.1545(8) 0.0906(6) 0.072(2) Uani 1 1 d U . .
H32A H -0.3184 -0.1709 0.1086 0.107 Uiso 1 1 calc R . .
H32B H -0.2075 -0.1597 0.1271 0.107 Uiso 1 1 calc R . .
H32C H -0.2664 -0.1939 0.0528 0.107 Uiso 1 1 calc R . .
O1 O 0.3099(6) 0.0691(7) 0.1580(5) 0.086(3) Uani 1 1 d . . .
O2 O 0.3276(6) -0.0740(6) 0.1302(5) 0.084(3) Uani 1 1 d . . .
F1 F 0.5083(14) -0.0692(12) 0.1929(12) 0.107(8) Uiso 0.50(2) 1 d PD A 1
F2 F 0.4706(18) 0.024(2) 0.2655(8) 0.141(9) Uiso 0.50(2) 1 d PD A 1
F3 F 0.5013(12) 0.0671(11) 0.1769(10) 0.101(8) Uiso 0.50(2) 1 d PD A 1
F1' F 0.5170(17) -0.039(2) 0.1717(14) 0.145(11) Uiso 0.50(2) 1 d PD A 2
F2' F 0.4609(15) -0.0330(19) 0.2625(8) 0.119(8) Uiso 0.50(2) 1 d PD A 2
F3' F 0.4887(15) 0.0802(11) 0.2258(14) 0.129(9) Uiso 0.50(2) 1 d PD A 2
C33 C -0.0483(8) -0.1008(8) 0.2354(6) 0.0708(16) Uiso 0.50 1 d PU . 1
C34 C 0.0617(9) 0.3642(9) 0.2152(6) 0.0795(17) Uiso 0.50 1 d PU . 1
C35 C 0.0227(8) -0.4669(8) -0.0007(6) 0.078(2) Uiso 0.50 1 d PU . 1
N1 N -0.0483(8) -0.1008(8) 0.2354(6) 0.0708(16) Uiso 0.50 1 d P . 2
N2 N 0.0617(9) 0.3642(9) 0.2152(6) 0.0795(17) Uiso 0.50 1 d P . 2
N3 N 0.0227(8) -0.4669(8) -0.0007(6) 0.078(2) Uiso 0.50 1 d P . 2


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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 C27 2.076(10) . ?
Ag1 C27 2.076(10) 3 ?
Ag1 Ag3 2.9130(9) 3 ?
Ag1 Ag3 2.9130(9) . ?
Ag1 Ag5 2.9665(9) 3 ?
Ag1 Ag5 2.9665(9) . ?
Ag1 Ag7 3.0383(9) . ?
Ag1 Ag7 3.0384(9) 3 ?
Ag1 Ag2 3.2035(9) . ?
Ag1 Ag2 3.2035(9) 3 ?
Ag1 Ag4 3.2450(9) 3 ?
Ag1 Ag4 3.2450(9) . ?
Ag2 C15 2.049(11) 3 ?
Ag2 C3 2.069(12) . ?
Ag2 Ag3 3.0632(12) 3 ?
Ag2 Ag7 3.1384(12) . ?
Ag2 Ag8 3.1609(14) . ?
Ag2 Ag4 3.2020(12) 3 ?
Ag2 Ag5 3.2616(12) . ?
Ag3 O1 2.305(8) . ?
Ag3 C9 2.360(12) . ?
Ag3 C27 2.476(11) 3 ?
Ag3 C15 2.478(13) . ?
Ag3 Ag2 3.0632(12) 3 ?
Ag3 Ag5 3.2297(14) . ?
Ag3 Ag6 3.2842(14) . ?
Ag3 Ag4 3.2923(12) . ?
Ag4 C9 2.057(12) . ?
Ag4 C21 2.091(11) . ?
Ag4 Ag5 3.0234(12) 3 ?
Ag4 Ag6 3.0516(14) . ?
Ag4 Ag8 3.1016(14) 3 ?
Ag4 Ag2 3.2020(12) 3 ?
Ag5 C3 2.305(12) . ?
Ag5 O2 2.332(8) . ?
Ag5 C27 2.400(12) 3 ?
Ag5 C21 2.633(12) 3 ?
Ag5 Ag4 3.0234(12) 3 ?
Ag6 C34 2.051(13) . ?
Ag6 C15 2.270(12) . ?
Ag6 C16 2.427(13) . ?
Ag6 Ag8 3.1269(15) 3 ?
Ag7 C33 2.252(12) . ?
Ag7 C3 2.324(12) . ?
Ag7 C9 2.434(13) . ?
Ag8 C35 2.082(11) . ?
Ag8 C21 2.142(13) 3 ?
Ag8 Ag4 3.1016(14) 3 ?
Ag8 Ag6 3.1269(15) 3 ?
C1 O2 1.228(15) . ?
C1 O1 1.238(15) . ?
C1 C2 1.5351(10) . ?
C2 F2 1.298(9) . ?
C2 F1' 1.299(9) . ?
C2 F3' 1.299(9) . ?
C2 F1 1.301(9) . ?
C2 F3 1.320(9) . ?
C2 F2' 1.327(9) . ?
C3 C4 1.273(8) . ?
C4 C5 1.441(16) . ?
C5 C6 1.523(18) . ?
C5 C7 1.515(17) . ?
C5 C8 1.532(18) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 C10 1.273(8) . ?
C10 C11 1.449(16) . ?
C11 C12 1.523(19) . ?
C11 C14 1.523(18) . ?
C11 C13 1.537(18) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 C16 1.274(8) . ?
C15 Ag2 2.049(11) 3 ?
C16 C17 1.442(16) . ?
C17 C18 1.5349(10) . ?
C17 C19 1.5349(10) . ?
C17 C20 1.5349(10) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 C22 1.278(8) . ?
C21 Ag8 2.142(13) 3 ?
C21 Ag5 2.633(12) 3 ?
C22 C23 1.432(15) . ?
C23 C25 1.492(18) . ?
C23 C26 1.510(18) . ?
C23 C24 1.572(19) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 C28 1.265(8) . ?
C27 Ag5 2.400(12) 3 ?
C27 Ag3 2.476(11) 3 ?
C28 C29 1.457(14) . ?
C29 C32 1.500(16) . ?
C29 C30 1.512(16) . ?
C29 C31 1.517(16) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 C34 1.185(14) 2_545 ?
C34 C33 1.185(14) 2 ?
C35 C35 1.19(2) 3_545 ?

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
C27 Ag1 C27 180 . 3 ?
C27 Ag1 Ag3 56.6(3) . 3 ?
C27 Ag1 Ag3 123.4(3) 3 3 ?
C27 Ag1 Ag3 123.4(3) . . ?
C27 Ag1 Ag3 56.6(3) 3 . ?
Ag3 Ag1 Ag3 180 3 . ?
C27 Ag1 Ag5 53.4(3) . 3 ?
C27 Ag1 Ag5 126.6(3) 3 3 ?
Ag3 Ag1 Ag5 66.63(3) 3 3 ?
Ag3 Ag1 Ag5 113.37(3) . 3 ?
C27 Ag1 Ag5 126.6(3) . . ?
C27 Ag1 Ag5 53.4(3) 3 . ?
Ag3 Ag1 Ag5 113.37(3) 3 . ?
Ag3 Ag1 Ag5 66.63(3) . . ?
Ag5 Ag1 Ag5 180 3 . ?
C27 Ag1 Ag7 66.3(3) . . ?
C27 Ag1 Ag7 113.7(3) 3 . ?
Ag3 Ag1 Ag7 107.24(3) 3 . ?
Ag3 Ag1 Ag7 72.76(3) . . ?
Ag5 Ag1 Ag7 110.34(3) 3 . ?
Ag5 Ag1 Ag7 69.66(3) . . ?
C27 Ag1 Ag7 113.7(3) . 3 ?
C27 Ag1 Ag7 66.3(3) 3 3 ?
Ag3 Ag1 Ag7 72.76(3) 3 3 ?
Ag3 Ag1 Ag7 107.24(3) . 3 ?
Ag5 Ag1 Ag7 69.66(3) 3 3 ?
Ag5 Ag1 Ag7 110.34(3) . 3 ?
Ag7 Ag1 Ag7 180 . 3 ?
C27 Ag1 Ag2 69.0(3) . . ?
C27 Ag1 Ag2 111.0(3) 3 . ?
Ag3 Ag1 Ag2 59.88(2) 3 . ?
Ag3 Ag1 Ag2 120.12(2) . . ?
Ag5 Ag1 Ag2 116.31(2) 3 . ?
Ag5 Ag1 Ag2 63.69(2) . . ?
Ag7 Ag1 Ag2 60.30(2) . . ?
Ag7 Ag1 Ag2 119.70(2) 3 . ?
C27 Ag1 Ag2 111.0(3) . 3 ?
C27 Ag1 Ag2 69.0(3) 3 3 ?
Ag3 Ag1 Ag2 120.12(2) 3 3 ?
Ag3 Ag1 Ag2 59.88(2) . 3 ?
Ag5 Ag1 Ag2 63.69(2) 3 3 ?
Ag5 Ag1 Ag2 116.31(2) . 3 ?
Ag7 Ag1 Ag2 119.70(2) . 3 ?
Ag7 Ag1 Ag2 60.30(2) 3 3 ?
Ag2 Ag1 Ag2 180 . 3 ?
C27 Ag1 Ag4 115.1(3) . 3 ?
C27 Ag1 Ag4 64.9(3) 3 3 ?
Ag3 Ag1 Ag4 64.38(2) 3 3 ?
Ag3 Ag1 Ag4 115.62(2) . 3 ?
Ag5 Ag1 Ag4 121.95(2) 3 3 ?
Ag5 Ag1 Ag4 58.05(2) . 3 ?
Ag7 Ag1 Ag4 112.28(3) . 3 ?
Ag7 Ag1 Ag4 67.72(3) 3 3 ?
Ag2 Ag1 Ag4 59.54(2) . 3 ?
Ag2 Ag1 Ag4 120.46(2) 3 3 ?
C27 Ag1 Ag4 64.9(3) . . ?
C27 Ag1 Ag4 115.1(3) 3 . ?
Ag3 Ag1 Ag4 115.62(2) 3 . ?
Ag3 Ag1 Ag4 64.38(2) . . ?
Ag5 Ag1 Ag4 58.05(2) 3 . ?
Ag5 Ag1 Ag4 121.95(2) . . ?
Ag7 Ag1 Ag4 67.72(3) . . ?
Ag7 Ag1 Ag4 112.28(3) 3 . ?
Ag2 Ag1 Ag4 120.46(2) . . ?
Ag2 Ag1 Ag4 59.54(2) 3 . ?
Ag4 Ag1 Ag4 180 3 . ?
C15 Ag2 C3 167.7(5) 3 . ?
C15 Ag2 Ag3 53.6(4) 3 3 ?
C3 Ag2 Ag3 138.6(3) . 3 ?
C15 Ag2 Ag7 139.5(4) 3 . ?
C3 Ag2 Ag7 47.8(3) . . ?
Ag3 Ag2 Ag7 101.19(4) 3 . ?
C15 Ag2 Ag8 87.2(4) 3 . ?
C3 Ag2 Ag8 87.0(3) . . ?
Ag3 Ag2 Ag8 109.66(3) 3 . ?
Ag7 Ag2 Ag8 133.30(4) . . ?
C15 Ag2 Ag4 87.1(3) 3 3 ?
C3 Ag2 Ag4 98.9(3) . 3 ?
Ag3 Ag2 Ag4 63.36(3) 3 3 ?
Ag7 Ag2 Ag4 110.79(3) . 3 ?
Ag8 Ag2 Ag4 58.34(3) . 3 ?
C15 Ag2 Ag1 109.0(4) 3 . ?
C3 Ag2 Ag1 83.3(3) . . ?
Ag3 Ag2 Ag1 55.34(2) 3 . ?
Ag7 Ag2 Ag1 57.24(2) . . ?
Ag8 Ag2 Ag1 115.70(3) . . ?
Ag4 Ag2 Ag1 60.87(2) 3 . ?
C15 Ag2 Ag5 142.9(3) 3 . ?
C3 Ag2 Ag5 44.6(3) . . ?
Ag3 Ag2 Ag5 101.89(3) 3 . ?
Ag7 Ag2 Ag5 64.78(3) . . ?
Ag8 Ag2 Ag5 74.98(3) . . ?
Ag4 Ag2 Ag5 55.77(3) 3 . ?
Ag1 Ag2 Ag5 54.62(2) . . ?
O1 Ag3 C9 115.8(4) . . ?
O1 Ag3 C27 102.3(3) . 3 ?
C9 Ag3 C27 125.6(4) . 3 ?
O1 Ag3 C15 108.4(4) . . ?
C9 Ag3 C15 104.7(4) . . ?
C27 Ag3 C15 97.8(4) 3 . ?
O1 Ag3 Ag1 134.5(2) . . ?
C9 Ag3 Ag1 81.6(3) . . ?
C27 Ag3 Ag1 44.4(2) 3 . ?
C15 Ag3 Ag1 106.5(3) . . ?
O1 Ag3 Ag2 141.3(3) . 3 ?
C9 Ag3 Ag2 98.5(3) . 3 ?
C27 Ag3 Ag2 67.9(3) 3 3 ?
C15 Ag3 Ag2 41.8(3) . 3 ?
Ag1 Ag3 Ag2 64.77(2) . 3 ?
O1 Ag3 Ag5 77.2(2) . . ?
C9 Ag3 Ag5 103.9(3) . . ?
C27 Ag3 Ag5 47.5(3) 3 . ?
C15 Ag3 Ag5 144.3(3) . . ?
Ag1 Ag3 Ag5 57.48(2) . . ?
Ag2 Ag3 Ag5 112.82(3) 3 . ?
O1 Ag3 Ag6 111.4(2) . . ?
C9 Ag3 Ag6 64.2(3) . . ?
C27 Ag3 Ag6 134.7(3) 3 . ?
C15 Ag3 Ag6 43.7(3) . . ?
Ag1 Ag3 Ag6 113.98(3) . . ?
Ag2 Ag3 Ag6 66.83(3) 3 . ?
Ag5 Ag3 Ag6 167.29(4) . . ?
O1 Ag3 Ag4 152.8(2) . . ?
C9 Ag3 Ag4 38.4(3) . . ?
C27 Ag3 Ag4 102.7(3) 3 . ?
C15 Ag3 Ag4 78.7(3) . . ?
Ag1 Ag3 Ag4 62.71(2) . . ?
Ag2 Ag3 Ag4 60.38(3) 3 . ?
Ag5 Ag3 Ag4 112.82(3) . . ?
Ag6 Ag3 Ag4 55.29(3) . . ?
C9 Ag4 C21 167.1(5) . . ?
C9 Ag4 Ag5 134.1(3) . 3 ?
C21 Ag4 Ag5 58.7(3) . 3 ?
C9 Ag4 Ag6 71.8(4) . . ?
C21 Ag4 Ag6 102.4(4) . . ?
Ag5 Ag4 Ag6 127.88(4) 3 . ?
C9 Ag4 Ag8 132.8(4) . 3 ?
C21 Ag4 Ag8 43.5(3) . 3 ?
Ag5 Ag4 Ag8 79.32(3) 3 3 ?
Ag6 Ag4 Ag8 61.08(3) . 3 ?
C9 Ag4 Ag2 101.4(3) . 3 ?
C21 Ag4 Ag2 86.6(3) . 3 ?
Ag5 Ag4 Ag2 63.11(3) 3 3 ?
Ag6 Ag4 Ag2 68.03(3) . 3 ?
Ag8 Ag4 Ag2 60.17(3) 3 3 ?
C9 Ag4 Ag1 78.2(3) . . ?
C21 Ag4 Ag1 114.7(3) . . ?
Ag5 Ag4 Ag1 56.36(2) 3 . ?
Ag6 Ag4 Ag1 111.34(3) . . ?
Ag8 Ag4 Ag1 116.20(3) 3 . ?
Ag2 Ag4 Ag1 59.59(2) 3 . ?
C9 Ag4 Ag3 45.4(3) . . ?
C21 Ag4 Ag3 142.6(3) . . ?
Ag5 Ag4 Ag3 102.06(3) 3 . ?
Ag6 Ag4 Ag3 62.22(3) . . ?
Ag8 Ag4 Ag3 105.42(4) 3 . ?
Ag2 Ag4 Ag3 56.27(3) 3 . ?
Ag1 Ag4 Ag3 52.92(2) . . ?
C3 Ag5 O2 117.7(4) . . ?
C3 Ag5 C27 129.2(4) . 3 ?
O2 Ag5 C27 100.8(3) . 3 ?
C3 Ag5 C21 98.1(4) . 3 ?
O2 Ag5 C21 108.1(4) . 3 ?
C27 Ag5 C21 100.0(4) 3 3 ?
C3 Ag5 Ag1 85.3(3) . . ?
O2 Ag5 Ag1 133.1(2) . . ?
C27 Ag5 Ag1 44.0(2) 3 . ?
C21 Ag5 Ag1 108.0(2) 3 . ?
C3 Ag5 Ag4 98.8(3) . 3 ?
O2 Ag5 Ag4 138.0(3) . 3 ?
C27 Ag5 Ag4 66.5(3) 3 3 ?
C21 Ag5 Ag4 42.7(2) 3 3 ?
Ag1 Ag5 Ag4 65.60(2) . 3 ?
C3 Ag5 Ag3 105.7(3) . . ?
O2 Ag5 Ag3 77.9(2) . . ?
C27 Ag5 Ag3 49.5(3) 3 . ?
C21 Ag5 Ag3 149.1(3) 3 . ?
Ag1 Ag5 Ag3 55.89(2) . . ?
Ag4 Ag5 Ag3 112.96(4) 3 . ?
C3 Ag5 Ag2 39.1(3) . . ?
O2 Ag5 Ag2 156.4(2) . . ?
C27 Ag5 Ag2 100.8(3) 3 . ?
C21 Ag5 Ag2 77.4(2) 3 . ?
Ag1 Ag5 Ag2 61.70(2) . . ?
Ag4 Ag5 Ag2 61.12(3) 3 . ?
Ag3 Ag5 Ag2 109.53(3) . . ?
C34 Ag6 C15 168.6(5) . . ?
C34 Ag6 C16 137.9(4) . . ?
C15 Ag6 C16 31.2(2) . . ?
C34 Ag6 Ag4 104.2(3) . . ?
C15 Ag6 Ag4 87.2(3) . . ?
C16 Ag6 Ag4 116.9(3) . . ?
C34 Ag6 Ag8 100.6(3) . 3 ?
C15 Ag6 Ag8 84.4(3) . 3 ?
C16 Ag6 Ag8 107.2(3) . 3 ?
Ag4 Ag6 Ag8 60.25(3) . 3 ?
C34 Ag6 Ag3 137.4(4) . . ?
C15 Ag6 Ag3 48.9(3) . . ?
C16 Ag6 Ag3 63.5(3) . . ?
Ag4 Ag6 Ag3 62.49(3) . . ?
Ag8 Ag6 Ag3 105.03(4) 3 . ?
C33 Ag7 C3 101.9(4) . . ?
C33 Ag7 C9 110.1(4) . . ?
C3 Ag7 C9 136.6(4) . . ?
C33 Ag7 Ag1 158.1(3) . . ?
C3 Ag7 Ag1 83.3(3) . . ?
C9 Ag7 Ag1 77.8(3) . . ?
C33 Ag7 Ag2 107.7(3) . . ?
C3 Ag7 Ag2 41.2(3) . . ?
C9 Ag7 Ag2 140.3(3) . . ?
Ag1 Ag7 Ag2 62.46(2) . . ?
C35 Ag8 C21 171.9(5) . 3 ?
C35 Ag8 Ag4 144.1(3) . 3 ?
C21 Ag8 Ag4 42.2(3) 3 3 ?
C35 Ag8 Ag6 86.0(3) . 3 ?
C21 Ag8 Ag6 98.9(3) 3 3 ?
Ag4 Ag8 Ag6 58.67(3) 3 3 ?
C35 Ag8 Ag2 101.0(3) . . ?
C21 Ag8 Ag2 86.8(3) 3 . ?
Ag4 Ag8 Ag2 61.49(3) 3 . ?
Ag6 Ag8 Ag2 67.66(3) 3 . ?
O2 C1 O1 130.5(10) . . ?
O2 C1 C2 114.3(12) . . ?
O1 C1 C2 115.2(12) . . ?
F2 C2 F1' 131.9(19) . . ?
F2 C2 F3' 57.2(15) . . ?
F1' C2 F3' 114.1(18) . . ?
F2 C2 F1 115.2(18) . . ?
F1' C2 F1 29.5(15) . . ?
F3' C2 F1 130.8(16) . . ?
F2 C2 F3 104.0(17) . . ?
F1' C2 F3 75.3(16) . . ?
F3' C2 F3 48.1(11) . . ?
F1 C2 F3 103.2(15) . . ?
F2 C2 F2' 37.9(14) . . ?
F1' C2 F2' 114.7(19) . . ?
F3' C2 F2' 94.7(16) . . ?
F1 C2 F2' 87.4(16) . . ?
F3 C2 F2' 138.4(16) . . ?
F2 C2 C1 110.7(14) . . ?
F1' C2 C1 114.9(16) . . ?
F3' C2 C1 113.2(14) . . ?
F1 C2 C1 114.1(14) . . ?
F3 C2 C1 108.6(12) . . ?
F2' C2 C1 103.0(13) . . ?
C4 C3 Ag2 143.8(11) . . ?
C4 C3 Ag5 99.4(9) . . ?
Ag2 C3 Ag5 96.3(4) . . ?
C4 C3 Ag7 119.4(9) . . ?
Ag2 C3 Ag7 91.0(4) . . ?
Ag5 C3 Ag7 95.6(5) . . ?
C3 C4 C5 171.5(13) . . ?
C4 C5 C6 105.3(11) . . ?
C4 C5 C7 108.7(11) . . ?
C6 C5 C7 112.1(11) . . ?
C4 C5 C8 110.0(11) . . ?
C6 C5 C8 109.8(11) . . ?
C7 C5 C8 110.8(11) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 Ag4 160.1(11) . . ?
C10 C9 Ag3 99.0(9) . . ?
Ag4 C9 Ag3 96.2(4) . . ?
C10 C9 Ag7 89.2(9) . . ?
Ag4 C9 Ag7 102.3(5) . . ?
Ag3 C9 Ag7 94.9(4) . . ?
C9 C10 C11 170.4(13) . . ?
C10 C11 C12 109.7(12) . . ?
C10 C11 C14 109.1(11) . . ?
C12 C11 C14 109.0(12) . . ?
C10 C11 C13 110.2(11) . . ?
C12 C11 C13 108.7(12) . . ?
C14 C11 C13 110.1(12) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 Ag2 166.1(12) . 3 ?
C16 C15 Ag6 81.2(8) . . ?
Ag2 C15 Ag6 108.2(5) 3 . ?
C16 C15 Ag3 106.5(10) . . ?
Ag2 C15 Ag3 84.6(4) 3 . ?
Ag6 C15 Ag3 87.4(4) . . ?
C15 C16 C17 171.5(13) . . ?
C15 C16 Ag6 67.6(8) . . ?
C17 C16 Ag6 120.8(8) . . ?
C16 C17 C18 109.8(11) . . ?
C16 C17 C19 108.3(10) . . ?
C18 C17 C19 104.2(11) . . ?
C16 C17 C20 110.2(11) . . ?
C18 C17 C20 100.5(11) . . ?
C19 C17 C20 122.9(13) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 Ag4 155.9(11) . . ?
C22 C21 Ag8 106.5(10) . 3 ?
Ag4 C21 Ag8 94.2(4) . 3 ?
C22 C21 Ag5 105.0(9) . 3 ?
Ag4 C21 Ag5 78.7(4) . 3 ?
Ag8 C21 Ag5 109.5(4) 3 3 ?
C21 C22 C23 176.1(13) . . ?
C22 C23 C25 110.2(11) . . ?
C22 C23 C26 109.2(11) . . ?
C25 C23 C26 112.8(12) . . ?
C22 C23 C24 107.1(11) . . ?
C25 C23 C24 109.1(12) . . ?
C26 C23 C24 108.1(11) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 Ag1 164.5(10) . . ?
C28 C27 Ag5 111.7(9) . 3 ?
Ag1 C27 Ag5 82.7(4) . 3 ?
C28 C27 Ag3 107.6(9) . 3 ?
Ag1 C27 Ag3 79.0(3) . 3 ?
Ag5 C27 Ag3 83.0(3) 3 3 ?
C27 C28 C29 178.9(13) . . ?
C28 C29 C32 109.2(10) . . ?
C28 C29 C30 108.0(10) . . ?
C32 C29 C30 109.6(11) . . ?
C28 C29 C31 108.1(10) . . ?
C32 C29 C31 110.8(10) . . ?
C30 C29 C31 111.1(10) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C1 O1 Ag3 128.0(8) . . ?
C1 O2 Ag5 125.8(8) . . ?
C34 C33 Ag7 167.3(11) 2_545 . ?
C33 C34 Ag6 177.0(11) 2 . ?
C35 C35 Ag8 174.8(15) 3_545 . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         1.872
_refine_diff_density_min         -1.470
_refine_diff_density_rms         0.165
_database_code_depnum_ccdc_archive 'CCDC 926486'
