# 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_4
_database_code_depnum_ccdc_archive 'CCDC 1439660'
_audit_update_record             
;
2015-11-30 deposited with the CCDC.
2016-05-18 downloaded from the CCDC.
;

_audit_creation_date             2015-11-16T12:59:56-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_name_systematic        
;
 ?
;
_chemical_formula_sum            'C35 H64 Ag2 B2 Cl4 F8 P4'
_chemical_formula_weight         1139.9

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.229(5)
_cell_length_b                   10.332(5)
_cell_length_c                   12.516(5)
_cell_angle_alpha                72.496(5)
_cell_angle_beta                 71.499(5)
_cell_angle_gamma                87.663(5)
_cell_volume                     1194.1(9)
_cell_formula_units_Z            1
_cell_measurement_temperature    130(2)
_cell_measurement_reflns_used    8814
_cell_measurement_theta_min      3.1245
_cell_measurement_theta_max      37.2815

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.2
_exptl_crystal_density_diffrn    1.585
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             578
_exptl_special_details           
;
 ?
;

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    1.234
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
        (compiled Oct 27 2011,15:02:11)
        Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_correction_T_min  0.85737
_exptl_absorpt_correction_T_max  1

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      130(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_detector_area_resol_mean 16.356
_diffrn_orient_matrix_ub_11      -0.0198699
_diffrn_orient_matrix_ub_12      0.0679811
_diffrn_orient_matrix_ub_13      -0.0084902
_diffrn_orient_matrix_ub_21      -0.0703123
_diffrn_orient_matrix_ub_22      -0.0232992
_diffrn_orient_matrix_ub_23      0.0188694
_diffrn_orient_matrix_ub_31      -0.0052854
_diffrn_orient_matrix_ub_32      -0.0060344
_diffrn_orient_matrix_ub_33      0.0592145
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_reflns_av_R_equivalents  0.0175
_diffrn_reflns_av_unetI/netI     0.0271
_diffrn_reflns_number            23349
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         3.13
_diffrn_reflns_theta_max         36.32
_diffrn_reflns_theta_full        36.32
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_reflns_number_total             11560
_reflns_number_gt                9722
_reflns_threshold_expression     >2σ(I)

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
        (compiled Oct 27 2011,15:02:11)
;
_computing_cell_refinement       
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
        (compiled Oct 27 2011,15:02:11)
;
_computing_data_reduction        
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
        (compiled Oct 27 2011,15:02:11)
;
_computing_structure_solution    'SIR92 (Giacovazzo 1993)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'ORTEP3 for Windows (L. J. Farrugia, 1997)'
_computing_publication_material  'WINGX  (L.J. Farrugia,1999)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION
#----------------------------------------------------------------------------#

_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_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.
;
_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)+(0.0289P)²+0.4946P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         11560
_refine_ls_number_parameters     318
_refine_ls_number_restraints     102
_refine_ls_R_factor_all          0.04
_refine_ls_R_factor_gt           0.0308
_refine_ls_wR_factor_ref         0.0735
_refine_ls_wR_factor_gt          0.0685
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_restrained_S_all      1.048
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_diff_density_max         0.922
_refine_diff_density_min         -1.019
_refine_diff_density_rms         0.078

#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 0 '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'
P P 0.1023 0.0942 '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'
Cl Cl 0.1484 0.1585 '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'

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
C1 C 0.05073(14) 0.49071(15) 0.66652(12) 0.0244(2) Uani 1 1 d . . .
H1A H 0.0066 0.453 0.7531 0.029 Uiso 1 1 calc R . .
H1B H -0.0135 0.5508 0.6327 0.029 Uiso 1 1 calc R . .
C2 C 0.09002(15) 0.37660(16) 0.60945(13) 0.0276(3) Uani 1 1 d . . .
H2A H 0.0146 0.3044 0.6435 0.033 Uiso 1 1 calc R . .
H2B H 0.1074 0.4125 0.5231 0.033 Uiso 1 1 calc R . .
C3 C 0.22065(16) 0.32026(14) 0.63526(14) 0.0284(3) Uani 1 1 d . . .
H3A H 0.2617 0.2593 0.5872 0.034 Uiso 1 1 calc R . .
H3B H 0.1987 0.2677 0.7199 0.034 Uiso 1 1 calc R . .
C4 C 0.32222(14) 0.44197(14) 0.60372(12) 0.0237(2) Uani 1 1 d . . .
H4A H 0.3803 0.4658 0.5196 0.028 Uiso 1 1 calc R . .
H4B H 0.3832 0.4204 0.6536 0.028 Uiso 1 1 calc R . .
C5 C 0.29085(15) 0.69246(14) 1.04408(11) 0.0241(2) Uani 1 1 d . . .
H5A H 0.2281 0.6098 1.0744 0.029 Uiso 1 1 calc R . .
H5B H 0.3854 0.6649 1.0415 0.029 Uiso 1 1 calc R . .
C6 C 0.24168(16) 0.78603(15) 1.12131(12) 0.0272(3) Uani 1 1 d . . .
H6A H 0.3164 0.8543 1.1049 0.033 Uiso 1 1 calc R . .
H6B H 0.2141 0.7327 1.2061 0.033 Uiso 1 1 calc R . .
C7 C 0.11792(17) 0.85623(17) 1.09052(13) 0.0321(3) Uani 1 1 d . . .
H7A H 0.0984 0.9358 1.1205 0.039 Uiso 1 1 calc R . .
H7B H 0.0351 0.7924 1.1281 0.039 Uiso 1 1 calc R . .
C8 C 0.15158(15) 0.90261(14) 0.95494(12) 0.0247(2) Uani 1 1 d . . .
H8A H 0.1846 0.9997 0.9212 0.03 Uiso 1 1 calc R . .
H8B H 0.0684 0.8908 0.9338 0.03 Uiso 1 1 calc R . .
C9 C 0.24453(14) 0.70835(14) 0.48584(11) 0.0227(2) Uani 1 1 d . . .
H9A H 0.2516 0.6602 0.4269 0.027 Uiso 1 1 calc R . .
H9B H 0.1647 0.7661 0.488 0.027 Uiso 1 1 calc R . .
C10 C 0.37615(14) 0.79832(14) 0.44784(11) 0.0234(2) Uani 1 1 d . . .
H10A H 0.3664 0.8508 0.5041 0.028 Uiso 1 1 calc R . .
H10B H 0.4549 0.74 0.4511 0.028 Uiso 1 1 calc R . .
C11 C 0.40707(15) 0.89649(14) 0.32335(11) 0.0241(2) Uani 1 1 d . . .
H11A H 0.3264 0.9519 0.3196 0.029 Uiso 1 1 calc R . .
H11B H 0.4197 0.8434 0.2672 0.029 Uiso 1 1 calc R . .
C12 C 0.53519(15) 0.99160(14) 0.28410(11) 0.0245(2) Uani 1 1 d . . .
H12A H 0.6179 0.9376 0.2793 0.029 Uiso 1 1 calc R . .
H12B H 0.5271 1.0392 0.3435 0.029 Uiso 1 1 calc R . .
C13 C 0.55284(14) 1.09643(13) 0.16353(11) 0.0218(2) Uani 1 1 d . . .
H13A H 0.4734 1.1549 0.1711 0.026 Uiso 1 1 calc R . .
H13B H 0.5505 1.0478 0.1069 0.026 Uiso 1 1 calc R . .
C14 C 0.7116(2) 0.6548(2) 0.0016(2) 0.0467(5) Uani 1 1 d . . .
H14A H 0.7027 0.6614 -0.0763 0.056 Uiso 1 1 calc R . .
H14B H 0.646 0.5807 0.062 0.056 Uiso 1 1 calc R . .
P1 P 0.21525(3) 0.58358(3) 0.63167(3) 0.01818(6) Uani 1 1 d . . .
P2 P 0.28785(3) 0.79510(3) 0.89752(3) 0.01831(6) Uani 1 1 d . . .
Ag1 Ag 0.253343(11) 0.683710(10) 0.767570(8) 0.02456(3) Uani 1 1 d . . .
Cl1 Cl 0.66880(8) 0.80758(6) 0.03266(8) 0.0728(2) Uani 1 1 d . . .
Cl2 Cl 0.88128(5) 0.61473(5) -0.00015(6) 0.05190(12) Uani 1 1 d . . .
B1 B 0.39454(19) 0.4164(2) 0.26988(15) 0.0331(4) Uani 1 1 d D . .
C20 C 0.0114(7) 0.0232(7) 0.4488(6) 0.084(2) Uani 0.5 1 d PDU A -1
C21 C 0.1000(10) 0.0584(9) 0.5042(8) 0.060(2) Uani 0.5 1 d PDU A -1
H21 H 0.1704 0.1287 0.4593 0.072 Uiso 0.5 1 calc PR A -1
C22 C 0.0877(5) -0.0039(4) 0.6175(5) 0.0504(10) Uani 0.5 1 d PDU A -1
H22 H 0.1485 0.0192 0.6536 0.06 Uiso 0.5 1 calc PR A -1
C23 C -0.0180(7) -0.1036(7) 0.6796(8) 0.076(3) Uani 0.5 1 d PDU A -1
H23 H -0.0277 -0.1472 0.7604 0.091 Uiso 0.5 1 calc PR A -1
C24 C -0.1017(6) -0.1419(7) 0.6400(8) 0.096(3) Uani 0.5 1 d PDU A -1
H24 H -0.1702 -0.2127 0.6893 0.116 Uiso 0.5 1 calc PR A -1
C25 C -0.0937(8) -0.0822(10) 0.5272(9) 0.068(3) Uani 0.5 1 d PDU A -1
H25 H -0.1592 -0.1099 0.4977 0.082 Uiso 0.5 1 calc PR A -1
C26 C 0.0211(15) 0.0907(14) 0.3194(10) 0.167(8) Uani 0.5 1 d PDU A -1
H26A H -0.0496 0.048 0.3011 0.251 Uiso 0.25 1 calc PR A -1
H26B H 0.1128 0.0794 0.268 0.251 Uiso 0.25 1 calc PR A -1
H26C H 0.0063 0.1878 0.3062 0.251 Uiso 0.25 1 calc PR A -1
H26D H 0.0959 0.1621 0.2824 0.251 Uiso 0.25 1 calc PR A -1
H26E H -0.0664 0.1307 0.3156 0.251 Uiso 0.25 1 calc PR A -1
H26F H 0.04 0.0223 0.2773 0.251 Uiso 0.25 1 calc PR A -1
F2 F 0.4742(4) 0.4154(6) 0.1594(3) 0.0468(10) Uani 0.625(9) 1 d PD B 1
F1 F 0.3978(9) 0.5327(5) 0.2885(5) 0.112(3) Uani 0.625(9) 1 d PD B 1
F3 F 0.2600(3) 0.3810(8) 0.2748(3) 0.0963(19) Uani 0.625(9) 1 d PD B 1
F4 F 0.4413(12) 0.3186(13) 0.3510(11) 0.0458(16) Uani 0.625(9) 1 d PD B 1
F3F F 0.2672(5) 0.4538(7) 0.3107(5) 0.067(2) Uani 0.375(9) 1 d PD B 2
F2F F 0.4319(14) 0.4015(10) 0.1627(7) 0.082(3) Uani 0.375(9) 1 d PD B 2
F1F F 0.4741(9) 0.5388(8) 0.2496(7) 0.088(3) Uani 0.375(9) 1 d PD B 2
F4F F 0.415(2) 0.305(2) 0.356(2) 0.049(3) Uani 0.375(9) 1 d PD B 2



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_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
C1 C2 1.532(2) . ?
C1 P1 1.8323(15) . ?
C1 H1A 0.99 . ?
C1 H1B 0.99 . ?
C2 C3 1.525(2) . ?
C2 H2A 0.99 . ?
C2 H2B 0.99 . ?
C3 C4 1.538(2) . ?
C3 H3A 0.99 . ?
C3 H3B 0.99 . ?
C4 P1 1.8425(15) . ?
C4 H4A 0.99 . ?
C4 H4B 0.99 . ?
C5 C6 1.528(2) . ?
C5 P2 1.8312(14) . ?
C5 H5A 0.99 . ?
C5 H5B 0.99 . ?
C6 C7 1.531(2) . ?
C6 H6A 0.99 . ?
C6 H6B 0.99 . ?
C7 C8 1.543(2) . ?
C7 H7A 0.99 . ?
C7 H7B 0.99 . ?
C8 P2 1.8471(15) . ?
C8 H8A 0.99 . ?
C8 H8B 0.99 . ?
C9 C10 1.527(2) . ?
C9 P1 1.8309(14) . ?
C9 H9A 0.99 . ?
C9 H9B 0.99 . ?
C10 C11 1.5230(18) . ?
C10 H10A 0.99 . ?
C10 H10B 0.99 . ?
C11 C12 1.527(2) . ?
C11 H11A 0.99 . ?
C11 H11B 0.99 . ?
C12 C13 1.5306(18) . ?
C12 H12A 0.99 . ?
C12 H12B 0.99 . ?
C13 P2 1.8273(15) 2_676 ?
C13 H13A 0.99 . ?
C13 H13B 0.99 . ?
C14 Cl1 1.743(2) . ?
C14 Cl2 1.762(2) . ?
C14 H14A 0.99 . ?
C14 H14B 0.99 . ?
P1 Ag1 2.3721(8) . ?
P2 C13 1.8273(15) 2_676 ?
P2 Ag1 2.3702(8) . ?
B1 F1 1.295(4) . ?
B1 F3F 1.328(4) . ?
B1 F2F 1.328(7) . ?
B1 F2 1.367(4) . ?
B1 F4F 1.379(12) . ?
B1 F4 1.390(7) . ?
B1 F3 1.416(4) . ?
B1 F1F 1.444(5) . ?
C20 C21 1.419(9) . ?
C20 C25 1.445(10) . ?
C20 C26 1.531(12) . ?
C21 C22 1.336(9) . ?
C21 H21 0.95 . ?
C22 C23 1.382(7) . ?
C22 H22 0.95 . ?
C23 C24 1.245(10) . ?
C23 H23 0.95 . ?
C24 C25 1.337(10) . ?
C24 H24 0.95 . ?
C25 H25 0.95 . ?
C26 H26A 0.98 . ?
C26 H26B 0.98 . ?
C26 H26C 0.98 . ?
C26 H26D 0.98 . ?
C26 H26E 0.98 . ?
C26 H26F 0.98 . ?

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
C2 C1 P1 104.38(9) . . ?
C2 C1 H1A 110.9 . . ?
P1 C1 H1A 110.9 . . ?
C2 C1 H1B 110.9 . . ?
P1 C1 H1B 110.9 . . ?
H1A C1 H1B 108.9 . . ?
C3 C2 C1 106.60(11) . . ?
C3 C2 H2A 110.4 . . ?
C1 C2 H2A 110.4 . . ?
C3 C2 H2B 110.4 . . ?
C1 C2 H2B 110.4 . . ?
H2A C2 H2B 108.6 . . ?
C2 C3 C4 107.45(12) . . ?
C2 C3 H3A 110.2 . . ?
C4 C3 H3A 110.2 . . ?
C2 C3 H3B 110.2 . . ?
C4 C3 H3B 110.2 . . ?
H3A C3 H3B 108.5 . . ?
C3 C4 P1 106.02(10) . . ?
C3 C4 H4A 110.5 . . ?
P1 C4 H4A 110.5 . . ?
C3 C4 H4B 110.5 . . ?
P1 C4 H4B 110.5 . . ?
H4A C4 H4B 108.7 . . ?
C6 C5 P2 104.42(9) . . ?
C6 C5 H5A 110.9 . . ?
P2 C5 H5A 110.9 . . ?
C6 C5 H5B 110.9 . . ?
P2 C5 H5B 110.9 . . ?
H5A C5 H5B 108.9 . . ?
C5 C6 C7 106.71(12) . . ?
C5 C6 H6A 110.4 . . ?
C7 C6 H6A 110.4 . . ?
C5 C6 H6B 110.4 . . ?
C7 C6 H6B 110.4 . . ?
H6A C6 H6B 108.6 . . ?
C6 C7 C8 108.89(12) . . ?
C6 C7 H7A 109.9 . . ?
C8 C7 H7A 109.9 . . ?
C6 C7 H7B 109.9 . . ?
C8 C7 H7B 109.9 . . ?
H7A C7 H7B 108.3 . . ?
C7 C8 P2 106.57(9) . . ?
C7 C8 H8A 110.4 . . ?
P2 C8 H8A 110.4 . . ?
C7 C8 H8B 110.4 . . ?
P2 C8 H8B 110.4 . . ?
H8A C8 H8B 108.6 . . ?
C10 C9 P1 111.66(9) . . ?
C10 C9 H9A 109.3 . . ?
P1 C9 H9A 109.3 . . ?
C10 C9 H9B 109.3 . . ?
P1 C9 H9B 109.3 . . ?
H9A C9 H9B 107.9 . . ?
C11 C10 C9 112.32(11) . . ?
C11 C10 H10A 109.1 . . ?
C9 C10 H10A 109.1 . . ?
C11 C10 H10B 109.1 . . ?
C9 C10 H10B 109.1 . . ?
H10A C10 H10B 107.9 . . ?
C10 C11 C12 113.74(11) . . ?
C10 C11 H11A 108.8 . . ?
C12 C11 H11A 108.8 . . ?
C10 C11 H11B 108.8 . . ?
C12 C11 H11B 108.8 . . ?
H11A C11 H11B 107.7 . . ?
C11 C12 C13 111.22(11) . . ?
C11 C12 H12A 109.4 . . ?
C13 C12 H12A 109.4 . . ?
C11 C12 H12B 109.4 . . ?
C13 C12 H12B 109.4 . . ?
H12A C12 H12B 108 . . ?
C12 C13 P2 114.49(9) . 2_676 ?
C12 C13 H13A 108.6 . . ?
P2 C13 H13A 108.6 2_676 . ?
C12 C13 H13B 108.6 . . ?
P2 C13 H13B 108.6 2_676 . ?
H13A C13 H13B 107.6 . . ?
Cl1 C14 Cl2 111.88(10) . . ?
Cl1 C14 H14A 109.2 . . ?
Cl2 C14 H14A 109.2 . . ?
Cl1 C14 H14B 109.2 . . ?
Cl2 C14 H14B 109.2 . . ?
H14A C14 H14B 107.9 . . ?
C9 P1 C1 106.01(6) . . ?
C9 P1 C4 105.11(7) . . ?
C1 P1 C4 94.84(7) . . ?
C9 P1 Ag1 111.53(6) . . ?
C1 P1 Ag1 120.45(5) . . ?
C4 P1 Ag1 116.79(5) . . ?
C13 P2 C5 103.94(7) 2_676 . ?
C13 P2 C8 104.92(7) 2_676 . ?
C5 P2 C8 94.44(7) . . ?
C13 P2 Ag1 113.89(5) 2_676 . ?
C5 P2 Ag1 118.90(6) . . ?
C8 P2 Ag1 118.06(5) . . ?
P2 Ag1 P1 176.886(12) . . ?
F1 B1 F3F 69.7(4) . . ?
F1 B1 F2F 123.5(5) . . ?
F3F B1 F2F 116.7(5) . . ?
F1 B1 F2 114.1(4) . . ?
F3F B1 F2 132.1(4) . . ?
F2F B1 F2 19.0(7) . . ?
F1 B1 F4F 115.8(13) . . ?
F3F B1 F4F 107.8(10) . . ?
F2F B1 F4F 114.4(14) . . ?
F2 B1 F4F 111.4(12) . . ?
F1 B1 F4 109.4(7) . . ?
F3F B1 F4 116.2(6) . . ?
F2F B1 F4 114.4(8) . . ?
F2 B1 F4 107.4(7) . . ?
F4F B1 F4 12.0(14) . . ?
F1 B1 F3 110.6(3) . . ?
F3F B1 F3 42.6(3) . . ?
F2F B1 F3 84.2(5) . . ?
F2 B1 F3 103.2(3) . . ?
F4F B1 F3 100.1(9) . . ?
F4 B1 F3 112.1(6) . . ?
F1 B1 F1F 32.1(3) . . ?
F3F B1 F1F 100.6(4) . . ?
F2F B1 F1F 102.2(6) . . ?
F2 B1 F1F 87.2(4) . . ?
F4F B1 F1F 114.5(11) . . ?
F4 B1 F1F 103.5(7) . . ?
F3 B1 F1F 137.3(4) . . ?
C21 C20 C25 113.6(6) . . ?
C21 C20 C26 124.5(8) . . ?
C25 C20 C26 121.9(7) . . ?
C22 C21 C20 122.2(8) . . ?
C22 C21 H21 118.9 . . ?
C20 C21 H21 118.9 . . ?
C21 C22 C23 116.6(6) . . ?
C21 C22 H22 121.7 . . ?
C23 C22 H22 121.7 . . ?
C24 C23 C22 126.4(8) . . ?
C24 C23 H23 116.8 . . ?
C22 C23 H23 116.8 . . ?
C23 C24 C25 119.1(7) . . ?
C23 C24 H24 120.4 . . ?
C25 C24 H24 120.4 . . ?
C24 C25 C20 122.0(6) . . ?
C24 C25 H25 119 . . ?
C20 C25 H25 119 . . ?
C20 C26 H26A 109.5 . . ?
C20 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C20 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C20 C26 H26D 109.5 . . ?
H26A C26 H26D 141.1 . . ?
H26B C26 H26D 56.3 . . ?
H26C C26 H26D 56.3 . . ?
C20 C26 H26E 109.5 . . ?
H26A C26 H26E 56.3 . . ?
H26B C26 H26E 141.1 . . ?
H26C C26 H26E 56.3 . . ?
H26D C26 H26E 109.5 . . ?
C20 C26 H26F 109.5 . . ?
H26A C26 H26F 56.3 . . ?
H26B C26 H26F 56.3 . . ?
H26C C26 H26F 141.1 . . ?
H26D C26 H26F 109.5 . . ?
H26E C26 H26F 109.5 . . ?

# END of CIF

#------------------------------------------------------------------------------#
#                            END OF DATA BLOCK                                 #
#------------------------------------------------------------------------------#


####################################################################### 
# 
# 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_5
_database_code_depnum_ccdc_archive 'CCDC 1439661'
_audit_update_record             
;
2015-11-30 deposited with the CCDC.
2016-05-18 downloaded from the CCDC.
;

_audit_creation_date             2015-11-16T13:39:59-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_name_systematic        
;
 ?
;
_chemical_formula_sum            'C30 H60 Ag2 B2 F8 P4'
_chemical_formula_weight         934.02

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/n
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.017(5)
_cell_length_b                   17.562(5)
_cell_length_c                   12.399(5)
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 97.526(5)
_cell_angle_gamma                90.000(5)
_cell_volume                     1946.5(14)
_cell_formula_units_Z            2
_cell_measurement_temperature    130(2)
_cell_measurement_reflns_used    23019
_cell_measurement_theta_min      2.8451
_cell_measurement_theta_max      37.4827

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_exptl_crystal_density_diffrn    1.594
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             952
_exptl_special_details           
;
 ?
;

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    1.23
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
        (compiled Oct 27 2011,15:02:11)
        Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_correction_T_min  0.93655
_exptl_absorpt_correction_T_max  1

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      130(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_detector_area_resol_mean 16.356
_diffrn_orient_matrix_ub_11      0.0134226
_diffrn_orient_matrix_ub_12      -0.0364363
_diffrn_orient_matrix_ub_13      0.023962
_diffrn_orient_matrix_ub_21      -0.004455
_diffrn_orient_matrix_ub_22      0.0158853
_diffrn_orient_matrix_ub_23      0.0520841
_diffrn_orient_matrix_ub_31      -0.0780769
_diffrn_orient_matrix_ub_32      -0.0071573
_diffrn_orient_matrix_ub_33      -0.0065331
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_reflns_av_R_equivalents  0.0316
_diffrn_reflns_av_unetI/netI     0.019
_diffrn_reflns_number            65409
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.85
_diffrn_reflns_theta_max         36.32
_diffrn_reflns_theta_full        36.32
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_reflns_number_total             9412
_reflns_number_gt                8158
_reflns_threshold_expression     >2σ(I)

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
        (compiled Oct 27 2011,15:02:11)
;
_computing_cell_refinement       
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
        (compiled Oct 27 2011,15:02:11)
;
_computing_data_reduction        
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
        (compiled Oct 27 2011,15:02:11)
;
_computing_structure_solution    'SIR92 (Giacovazzo 1993)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'ORTEP3 for Windows (L. J. Farrugia, 1997)'
_computing_publication_material  'WINGX  (L.J. Farrugia,1999)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION
#----------------------------------------------------------------------------#

_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_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.
;
_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)+(0.0248P)²+0.8283P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         9412
_refine_ls_number_parameters     264
_refine_ls_number_restraints     82
_refine_ls_R_factor_all          0.0358
_refine_ls_R_factor_gt           0.0282
_refine_ls_wR_factor_ref         0.064
_refine_ls_wR_factor_gt          0.0609
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_restrained_S_all      1.113
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_diff_density_max         0.876
_refine_diff_density_min         -0.441
_refine_diff_density_rms         0.073

#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 0 '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'
P P 0.1023 0.0942 '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'

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
C1 C 0.08310(16) 0.27243(8) 0.85917(13) 0.0282(3) Uani 1 1 d . . .
H1A H 0.0412 0.2448 0.9178 0.034 Uiso 1 1 calc R . .
H1B H 0.025 0.2586 0.7885 0.034 Uiso 1 1 calc R . .
C2 C 0.24878(19) 0.25272(10) 0.85975(19) 0.0442(4) Uani 1 1 d . . .
H2A H 0.2679 0.2001 0.8866 0.053 Uiso 1 1 calc R . .
H2B H 0.2755 0.2559 0.7849 0.053 Uiso 1 1 calc R . .
C3 C 0.34289(17) 0.30802(9) 0.93282(16) 0.0363(3) Uani 1 1 d . . .
H3A H 0.4489 0.3048 0.9201 0.044 Uiso 1 1 calc R . .
H3B H 0.3369 0.296 1.0101 0.044 Uiso 1 1 calc R . .
C4 C 0.28153(13) 0.38790(8) 0.90554(11) 0.0235(2) Uani 1 1 d . . .
H4A H 0.3195 0.4079 0.8397 0.028 Uiso 1 1 calc R . .
H4B H 0.3108 0.4233 0.9668 0.028 Uiso 1 1 calc R . .
C9 C 0.01770(14) 0.38806(7) 1.01607(10) 0.0216(2) Uani 1 1 d . . .
H9A H 0.0651 0.3481 1.0653 0.026 Uiso 1 1 calc R . .
H9B H 0.0526 0.4381 1.0461 0.026 Uiso 1 1 calc R . .
C10 C -0.15230(14) 0.38317(8) 1.01251(10) 0.0245(2) Uani 1 1 d . . .
H10A H -0.2001 0.4213 0.9602 0.029 Uiso 1 1 calc R . .
H10B H -0.1867 0.3321 0.9865 0.029 Uiso 1 1 calc R . .
C11 C -0.20104(14) 0.39745(8) 1.12397(10) 0.0231(2) Uani 1 1 d . . .
H11A H -0.159 0.4467 1.1521 0.028 Uiso 1 1 calc R . .
H11B H -0.1581 0.3571 1.1745 0.028 Uiso 1 1 calc R . .
C12 C -0.37024(14) 0.39903(8) 1.12414(11) 0.0247(2) Uani 1 1 d . . .
H12A H -0.4158 0.4333 1.0656 0.03 Uiso 1 1 calc R . .
H12B H -0.411 0.3473 1.1086 0.03 Uiso 1 1 calc R . .
C13 C -0.41268(14) 0.42618(8) 1.23268(10) 0.0222(2) Uani 1 1 d . . .
H13A H -0.3737 0.4785 1.2464 0.027 Uiso 1 1 calc R . .
H13B H -0.3624 0.3931 1.291 0.027 Uiso 1 1 calc R . .
C14 C -0.57996(14) 0.42655(8) 1.24074(10) 0.0232(2) Uani 1 1 d . . .
H14A H -0.6221 0.3753 1.2229 0.028 Uiso 1 1 calc R . .
H14B H -0.6309 0.4632 1.1876 0.028 Uiso 1 1 calc R . .
C15 C -0.60753(13) 0.44883(7) 1.35557(10) 0.0206(2) Uani 1 1 d . . .
H15A H -0.5592 0.4986 1.3739 0.025 Uiso 1 1 calc R . .
H15B H -0.5586 0.4108 1.4074 0.025 Uiso 1 1 calc R . .
P1 P 0.07699(3) 0.376230(18) 0.88158(2) 0.01835(5) Uani 1 1 d . . .
P2 P -0.80421(3) 0.455632(18) 1.37431(2) 0.01868(5) Uani 1 1 d . . .
Ag1 Ag -0.066627(10) 0.454335(6) 0.748317(7) 0.02348(3) Uani 1 1 d . . .
B1 B 0.1391(3) 0.17411(11) 1.16720(18) 0.0440(5) Uani 1 1 d D . .
C5 C -0.79549(16) 0.47132(10) 1.52189(11) 0.0298(3) Uani 1 1 d DU . .
H5A H -0.7096 0.5048 1.5473 0.036 Uiso 0.387(6) 1 calc PR A 1
H5B H -0.888 0.4971 1.5374 0.036 Uiso 0.387(6) 1 calc PR A 1
H5C H -0.6925 0.4841 1.5549 0.036 Uiso 0.613(6) 1 d PR A 2
H5D H -0.8639 0.5127 1.5377 0.036 Uiso 0.613(6) 1 d PR A 2
C8 C -0.86867(17) 0.35628(9) 1.37920(13) 0.0327(3) Uani 1 1 d DU . .
H8A H -0.9657 0.3487 1.333 0.039 Uiso 0.387(6) 1 calc PR A 1
H8B H -0.7941 0.3203 1.3566 0.039 Uiso 0.387(6) 1 calc PR A 1
H8C H -0.9793 0.3541 1.3659 0.039 Uiso 0.613(6) 1 d PR A 2
H8D H -0.8282 0.3255 1.3228 0.039 Uiso 0.613(6) 1 d PR A 2
C7 C -0.8854(6) 0.3470(3) 1.5106(4) 0.0362(12) Uani 0.387(6) 1 d PDU A 1
H7A H -0.9898 0.3579 1.5224 0.043 Uiso 0.387(6) 1 calc PR A 1
H7B H -0.8616 0.294 1.5341 0.043 Uiso 0.387(6) 1 calc PR A 1
C6 C -0.7797(6) 0.4018(3) 1.5782(3) 0.0303(9) Uani 0.387(6) 1 d PDU A 1
H6A H -0.8079 0.4073 1.6523 0.036 Uiso 0.387(6) 1 calc PR A 1
H6B H -0.6752 0.3833 1.584 0.036 Uiso 0.387(6) 1 calc PR A 1
C7F C -0.8145(3) 0.32667(14) 1.4878(2) 0.0304(6) Uani 0.613(6) 1 d PDU A 2
H7F1 H -0.7058 0.3162 1.495 0.037 Uiso 0.613(6) 1 calc PR A 2
H7F2 H -0.8676 0.2792 1.5023 0.037 Uiso 0.613(6) 1 calc PR A 2
C6F C -0.8484(5) 0.39010(18) 1.5661(2) 0.0342(7) Uani 0.613(6) 1 d PDU A 2
H6F1 H -0.7947 0.38 1.6396 0.041 Uiso 0.613(6) 1 calc PR A 2
H6F2 H -0.957 0.3914 1.5713 0.041 Uiso 0.613(6) 1 calc PR A 2
F3 F 0.1307(10) 0.1356(6) 1.0720(5) 0.0700(16) Uani 0.511(14) 1 d PD B 1
F1 F 0.0258(7) 0.2259(3) 1.1642(6) 0.0862(19) Uani 0.511(14) 1 d PD B 1
F2 F 0.1508(9) 0.1274(5) 1.2533(6) 0.0660(15) Uani 0.511(14) 1 d PD B 1
F4 F 0.2472(8) 0.2327(4) 1.1826(4) 0.0772(18) Uani 0.511(14) 1 d PD B 1
F3F F 0.192(2) 0.1339(6) 1.0825(8) 0.120(4) Uani 0.489(14) 1 d PD B 2
F1F F 0.0150(5) 0.2126(5) 1.1341(10) 0.116(3) Uani 0.489(14) 1 d PD B 2
F2F F 0.1115(16) 0.1238(4) 1.2487(7) 0.102(3) Uani 0.489(14) 1 d PD B 2
F4F F 0.2655(7) 0.2073(7) 1.2002(9) 0.142(4) Uani 0.489(14) 1 d PD B 2



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_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
C1 C2 1.533(2) . ?
C1 P1 1.8459(15) . ?
C1 H1A 0.99 . ?
C1 H1B 0.99 . ?
C2 C3 1.511(2) . ?
C2 H2A 0.99 . ?
C2 H2B 0.99 . ?
C3 C4 1.529(2) . ?
C3 H3A 0.99 . ?
C3 H3B 0.99 . ?
C4 P1 1.8408(16) . ?
C4 H4A 0.99 . ?
C4 H4B 0.99 . ?
C9 C10 1.5301(19) . ?
C9 P1 1.8284(14) . ?
C9 H9A 0.99 . ?
C9 H9B 0.99 . ?
C10 C11 1.5248(18) . ?
C10 H10A 0.99 . ?
C10 H10B 0.99 . ?
C11 C12 1.5262(19) . ?
C11 H11A 0.99 . ?
C11 H11B 0.99 . ?
C12 C13 1.5231(18) . ?
C12 H12A 0.99 . ?
C12 H12B 0.99 . ?
C13 C14 1.5247(19) . ?
C13 H13A 0.99 . ?
C13 H13B 0.99 . ?
C14 C15 1.5280(18) . ?
C14 H14A 0.99 . ?
C14 H14B 0.99 . ?
C15 P2 1.8224(15) . ?
C15 H15A 0.99 . ?
C15 H15B 0.99 . ?
P1 Ag1 2.3934(7) . ?
P2 C5 1.8419(15) . ?
P2 C8 1.8426(16) . ?
P2 Ag1 2.3884(6) 3_467 ?
Ag1 P2 2.3884(6) 3_467 ?
B1 F4F 1.298(7) . ?
B1 F1F 1.325(6) . ?
B1 F2 1.339(7) . ?
B1 F3 1.353(7) . ?
B1 F1 1.365(5) . ?
B1 F2F 1.389(8) . ?
B1 F3F 1.401(9) . ?
B1 F4 1.413(5) . ?
C5 C6 1.405(4) . ?
C5 C6F 1.622(4) . ?
C5 H5A 0.99 . ?
C5 H5B 0.99 . ?
C5 H5C 0.99 . ?
C5 H5D 0.99 . ?
C8 C7F 1.466(3) . ?
C8 C7 1.664(5) . ?
C8 H8A 0.99 . ?
C8 H8B 0.99 . ?
C8 H8C 0.99 . ?
C8 H8D 0.99 . ?
C7 C6 1.524(7) . ?
C7 H7A 0.99 . ?
C7 H7B 0.99 . ?
C6 H6A 0.99 . ?
C6 H6B 0.99 . ?
C7F C6F 1.535(4) . ?
C7F H7F1 0.99 . ?
C7F H7F2 0.99 . ?
C6F H6F1 0.99 . ?
C6F H6F2 0.99 . ?

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
C2 C1 P1 105.70(10) . . ?
C2 C1 H1A 110.6 . . ?
P1 C1 H1A 110.6 . . ?
C2 C1 H1B 110.6 . . ?
P1 C1 H1B 110.6 . . ?
H1A C1 H1B 108.7 . . ?
C3 C2 C1 109.16(13) . . ?
C3 C2 H2A 109.8 . . ?
C1 C2 H2A 109.8 . . ?
C3 C2 H2B 109.8 . . ?
C1 C2 H2B 109.8 . . ?
H2A C2 H2B 108.3 . . ?
C2 C3 C4 107.37(13) . . ?
C2 C3 H3A 110.2 . . ?
C4 C3 H3A 110.2 . . ?
C2 C3 H3B 110.2 . . ?
C4 C3 H3B 110.2 . . ?
H3A C3 H3B 108.5 . . ?
C3 C4 P1 105.03(9) . . ?
C3 C4 H4A 110.7 . . ?
P1 C4 H4A 110.7 . . ?
C3 C4 H4B 110.7 . . ?
P1 C4 H4B 110.7 . . ?
H4A C4 H4B 108.8 . . ?
C10 C9 P1 112.26(9) . . ?
C10 C9 H9A 109.2 . . ?
P1 C9 H9A 109.2 . . ?
C10 C9 H9B 109.2 . . ?
P1 C9 H9B 109.2 . . ?
H9A C9 H9B 107.9 . . ?
C11 C10 C9 111.79(11) . . ?
C11 C10 H10A 109.3 . . ?
C9 C10 H10A 109.3 . . ?
C11 C10 H10B 109.3 . . ?
C9 C10 H10B 109.3 . . ?
H10A C10 H10B 107.9 . . ?
C10 C11 C12 114.28(11) . . ?
C10 C11 H11A 108.7 . . ?
C12 C11 H11A 108.7 . . ?
C10 C11 H11B 108.7 . . ?
C12 C11 H11B 108.7 . . ?
H11A C11 H11B 107.6 . . ?
C13 C12 C11 111.96(11) . . ?
C13 C12 H12A 109.2 . . ?
C11 C12 H12A 109.2 . . ?
C13 C12 H12B 109.2 . . ?
C11 C12 H12B 109.2 . . ?
H12A C12 H12B 107.9 . . ?
C12 C13 C14 115.12(11) . . ?
C12 C13 H13A 108.5 . . ?
C14 C13 H13A 108.5 . . ?
C12 C13 H13B 108.5 . . ?
C14 C13 H13B 108.5 . . ?
H13A C13 H13B 107.5 . . ?
C13 C14 C15 110.20(10) . . ?
C13 C14 H14A 109.6 . . ?
C15 C14 H14A 109.6 . . ?
C13 C14 H14B 109.6 . . ?
C15 C14 H14B 109.6 . . ?
H14A C14 H14B 108.1 . . ?
C14 C15 P2 114.54(8) . . ?
C14 C15 H15A 108.6 . . ?
P2 C15 H15A 108.6 . . ?
C14 C15 H15B 108.6 . . ?
P2 C15 H15B 108.6 . . ?
H15A C15 H15B 107.6 . . ?
C9 P1 C4 104.28(6) . . ?
C9 P1 C1 105.52(7) . . ?
C4 P1 C1 94.89(6) . . ?
C9 P1 Ag1 111.60(5) . . ?
C4 P1 Ag1 119.19(5) . . ?
C1 P1 Ag1 119.09(5) . . ?
C15 P2 C5 102.76(6) . . ?
C15 P2 C8 104.99(7) . . ?
C5 P2 C8 94.68(8) . . ?
C15 P2 Ag1 111.33(5) . 3_467 ?
C5 P2 Ag1 119.16(5) . 3_467 ?
C8 P2 Ag1 121.21(6) . 3_467 ?
P2 Ag1 P1 173.490(12) 3_467 . ?
F4F B1 F1F 122.7(8) . . ?
F4F B1 F2 92.9(7) . . ?
F1F B1 F2 122.3(5) . . ?
F4F B1 F3 116.5(6) . . ?
F1F B1 F3 92.0(6) . . ?
F2 B1 F3 112.3(6) . . ?
F4F B1 F1 109.4(7) . . ?
F1F B1 F1 18.8(6) . . ?
F2 B1 F1 114.2(5) . . ?
F3 B1 F1 110.6(5) . . ?
F4F B1 F2F 106.9(6) . . ?
F1F B1 F2F 109.0(6) . . ?
F2 B1 F2F 14.9(8) . . ?
F3 B1 F2F 108.8(6) . . ?
F1 B1 F2F 103.8(6) . . ?
F4F B1 F3F 95.1(9) . . ?
F1F B1 F3F 112.5(6) . . ?
F2 B1 F3F 106.9(6) . . ?
F3 B1 F3F 23.1(8) . . ?
F1 B1 F3F 130.1(6) . . ?
F2F B1 F3F 109.7(6) . . ?
F4F B1 F4 21.3(6) . . ?
F1F B1 F4 102.1(6) . . ?
F2 B1 F4 110.9(5) . . ?
F3 B1 F4 116.1(5) . . ?
F1 B1 F4 91.1(5) . . ?
F2F B1 F4 123.5(5) . . ?
F3F B1 F4 99.8(7) . . ?
C6 C5 C6F 23.44(19) . . ?
C6 C5 P2 110.6(2) . . ?
C6F C5 P2 103.19(13) . . ?
C6 C5 H5A 109.5 . . ?
C6F C5 H5A 131.8 . . ?
P2 C5 H5A 109.5 . . ?
C6 C5 H5B 109.5 . . ?
C6F C5 H5B 92.5 . . ?
P2 C5 H5B 109.5 . . ?
H5A C5 H5B 108.1 . . ?
C6 C5 H5C 87.9 . . ?
C6F C5 H5C 111.1 . . ?
P2 C5 H5C 111.1 . . ?
H5A C5 H5C 23.4 . . ?
H5B C5 H5C 125.8 . . ?
C6 C5 H5D 124.4 . . ?
C6F C5 H5D 111.1 . . ?
P2 C5 H5D 111.1 . . ?
H5A C5 H5D 89 . . ?
H5B C5 H5D 20.3 . . ?
H5C C5 H5D 109.1 . . ?
C7F C8 C7 29.30(18) . . ?
C7F C8 P2 107.30(14) . . ?
C7 C8 P2 101.19(17) . . ?
C7F C8 H8A 130.3 . . ?
C7 C8 H8A 111.5 . . ?
P2 C8 H8A 111.5 . . ?
C7F C8 H8B 82.9 . . ?
C7 C8 H8B 111.5 . . ?
P2 C8 H8B 111.5 . . ?
H8A C8 H8B 109.3 . . ?
C7F C8 H8C 110.3 . . ?
C7 C8 H8C 86.6 . . ?
P2 C8 H8C 110.3 . . ?
H8A C8 H8C 26.3 . . ?
H8B C8 H8C 129.4 . . ?
C7F C8 H8D 110.2 . . ?
C7 C8 H8D 136.7 . . ?
P2 C8 H8D 110.2 . . ?
H8A C8 H8D 84.1 . . ?
H8B C8 H8D 28.9 . . ?
H8C C8 H8D 108.5 . . ?
C6 C7 C8 110.3(3) . . ?
C6 C7 H7A 109.6 . . ?
C8 C7 H7A 109.6 . . ?
C6 C7 H7B 109.6 . . ?
C8 C7 H7B 109.6 . . ?
H7A C7 H7B 108.1 . . ?
C5 C6 C7 105.1(3) . . ?
C5 C6 H6A 110.7 . . ?
C7 C6 H6A 110.7 . . ?
C5 C6 H6B 110.7 . . ?
C7 C6 H6B 110.7 . . ?
H6A C6 H6B 108.8 . . ?
C8 C7F C6F 104.7(2) . . ?
C8 C7F H7F1 110.8 . . ?
C6F C7F H7F1 110.8 . . ?
C8 C7F H7F2 110.8 . . ?
C6F C7F H7F2 110.8 . . ?
H7F1 C7F H7F2 108.9 . . ?
C7F C6F C5 109.4(2) . . ?
C7F C6F H6F1 109.8 . . ?
C5 C6F H6F1 109.8 . . ?
C7F C6F H6F2 109.8 . . ?
C5 C6F H6F2 109.8 . . ?
H6F1 C6F H6F2 108.2 . . ?

# END of CIF

#------------------------------------------------------------------------------#
#                            END OF DATA BLOCK                                 #
#------------------------------------------------------------------------------#


####################################################################### 
# 
# 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_6
_database_code_depnum_ccdc_archive 'CCDC 1439662'
_audit_update_record             
;
2015-11-30 deposited with the CCDC.
2016-05-18 downloaded from the CCDC.
;

_audit_creation_date             2015-11-17T13:47:13-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_name_systematic        
;
 ?
;
_chemical_formula_sum            'C37.50 H72 Ag2 B2 F8 P4'
_chemical_formula_weight         1036.19

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.348(5)
_cell_length_b                   11.431(5)
_cell_length_c                   20.512(5)
_cell_angle_alpha                81.509(5)
_cell_angle_beta                 80.136(5)
_cell_angle_gamma                87.890(5)
_cell_volume                     2364.1(16)
_cell_formula_units_Z            2
_cell_measurement_temperature    130(2)
_cell_measurement_reflns_used    6557
_cell_measurement_theta_min      2.8586
_cell_measurement_theta_max      32.4126

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.03
_exptl_crystal_density_diffrn    1.456
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1066
_exptl_special_details           
;
 ?
;

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    1.02
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
        (compiled Jan 23 2012,18:06:46)
        Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_correction_T_min  0.99222
_exptl_absorpt_correction_T_max  1

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      130(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_detector_area_resol_mean 16.356
_diffrn_orient_matrix_ub_11      -0.0426022
_diffrn_orient_matrix_ub_12      -0.0243824
_diffrn_orient_matrix_ub_13      -0.0179759
_diffrn_orient_matrix_ub_21      0.0545244
_diffrn_orient_matrix_ub_22      -0.0124711
_diffrn_orient_matrix_ub_23      -0.0241416
_diffrn_orient_matrix_ub_31      0.0072708
_diffrn_orient_matrix_ub_32      -0.0564475
_diffrn_orient_matrix_ub_33      0.0187573
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_reflns_av_R_equivalents  0.0258
_diffrn_reflns_av_unetI/netI     0.0409
_diffrn_reflns_number            17344
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.86
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_full        25.35
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_reflns_number_total             8649
_reflns_number_gt                6599
_reflns_threshold_expression     >2σ(I)

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
        (compiled Jan 23 2012,18:06:46)
;
_computing_cell_refinement       
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
        (compiled Jan 23 2012,18:06:46)
;
_computing_data_reduction        
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
        (compiled Jan 23 2012,18:06:46)
;
_computing_structure_solution    'SIR92 (Giacovazzo 1993)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'ORTEP3 for Windows (L. J. Farrugia, 1997)'
_computing_publication_material  'WINGX  (L.J. Farrugia,1999)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION
#----------------------------------------------------------------------------#

_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_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.
;
_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)+(0.0521P)²+11.9065P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         8649
_refine_ls_number_parameters     552
_refine_ls_number_restraints     177
_refine_ls_R_factor_all          0.0774
_refine_ls_R_factor_gt           0.0559
_refine_ls_wR_factor_ref         0.1493
_refine_ls_wR_factor_gt          0.136
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.039
_refine_ls_shift/su_mean         0.002
_refine_diff_density_max         1.952
_refine_diff_density_min         -2.678
_refine_diff_density_rms         0.118

#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
C C 0.0033 0.0016 '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'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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 0.69982(3) 0.53769(3) 0.267346(14) 0.03260(8) Uani 1 1 d . E .
Ag2 Ag 0.77569(4) 0.44196(3) 0.917942(17) 0.05585(11) Uani 1 1 d . C .
P1 P 0.66660(10) 0.25882(10) 0.93855(5) 0.0315(2) Uani 1 1 d . . .
P2 P 0.89984(9) 0.61705(8) 0.88775(5) 0.0249(2) Uani 1 1 d . . .
P3 P 0.56999(10) 0.36444(10) 0.29665(5) 0.0323(3) Uani 1 1 d . . .
P4 P 0.84087(9) 0.70374(9) 0.25140(5) 0.0268(2) Uani 1 1 d . . .
F3 F 0.6990(7) 0.4022(5) 0.0841(5) 0.128(4) Uani 0.435(5) 1 d PD A 1
F1 F 0.6814(9) 0.5835(8) 0.0315(3) 0.125(5) Uani 0.435(5) 1 d PD A 1
F2 F 0.6940(10) 0.5574(8) 0.1376(4) 0.262(7) Uani 0.435(5) 1 d PD A 1
F3F F 0.6888(6) 0.4017(5) 0.1250(3) 0.102(3) Uani 0.565(5) 1 d PD A 2
F1F F 0.7009(8) 0.5336(7) 0.0316(2) 0.102(3) Uani 0.565(5) 1 d PD A 2
F2F F 0.6786(5) 0.5902(5) 0.1321(2) 0.0681(18) Uani 0.565(5) 1 d PD A 2
F4 F 0.5133(3) 0.5073(3) 0.10275(19) 0.0911(13) Uani 1 1 d D A .
B2 B 0.8588(8) 0.9796(7) 0.7323(4) 0.093(3) Uani 0.581(4) 1 d PDU B 1
F5 F 0.8018(7) 0.8916(5) 0.7086(4) 0.088(2) Uani 0.581(4) 1 d PDU B 1
F6 F 0.9839(8) 0.9401(8) 0.7390(5) 0.146(3) Uani 0.581(4) 1 d PDU B 1
F7 F 0.7875(10) 1.0003(5) 0.7925(4) 0.132(2) Uani 0.581(4) 1 d PDU B 1
F8 F 0.8591(10) 1.0804(5) 0.6880(4) 0.132(2) Uani 0.581(4) 1 d PDU B 1
B2F B 0.9257(9) 0.9745(7) 0.7255(4) 0.067(3) Uani 0.419(4) 1 d PDU B 2
F5F F 0.8495(9) 0.8866(6) 0.7135(5) 0.076(3) Uani 0.419(4) 1 d PDU B 2
F6F F 1.0285(8) 0.9218(7) 0.7535(5) 0.080(3) Uani 0.419(4) 1 d PDU B 2
F7F F 0.8585(10) 1.0441(6) 0.7692(4) 0.095(2) Uani 0.419(4) 1 d PDU B 2
F8F F 0.9661(11) 1.0473(6) 0.6671(4) 0.095(2) Uani 0.419(4) 1 d PDU B 2
C1 C 0.7650(5) 0.1262(5) 0.9565(3) 0.0662(17) Uani 1 1 d . F .
H1A H 0.7892 0.0866 0.9163 0.079 Uiso 1 1 calc R . .
H1B H 0.8461 0.146 0.9718 0.079 Uiso 1 1 calc R . .
C2 C 0.6774(6) 0.0468(5) 1.0119(3) 0.0705(18) Uani 1 1 d . . .
H2A H 0.6155 0.0035 0.9926 0.085 Uiso 1 1 calc R F .
H2B H 0.7314 -0.0116 1.0364 0.085 Uiso 1 1 calc R . .
C3 C 0.6025(6) 0.1270(5) 1.0589(2) 0.0590(16) Uani 1 1 d . F .
H3A H 0.5309 0.0828 1.0899 0.071 Uiso 1 1 calc R . .
H3B H 0.6621 0.1565 1.0856 0.071 Uiso 1 1 calc R . .
C4 C 0.5466(4) 0.2296(4) 1.0159(2) 0.0372(11) Uani 1 1 d . F .
H4A H 0.5344 0.3003 1.0391 0.045 Uiso 1 1 calc R . .
H4B H 0.4608 0.2085 1.006 0.045 Uiso 1 1 calc R . .
C5 C 0.9914(7) 0.6781(5) 0.9437(3) 0.0392(17) Uani 0.619(5) 1 d PDU C 1
H5A H 0.9601 0.6456 0.9911 0.047 Uiso 0.619(5) 1 calc PR C 1
H5B H 1.0866 0.6617 0.9325 0.047 Uiso 0.619(5) 1 calc PR C 1
C6 C 0.9607(6) 0.8119(5) 0.9299(4) 0.0456(19) Uani 0.619(5) 1 d PDU C 1
H6A H 0.9813 0.8527 0.9662 0.055 Uiso 0.619(5) 1 calc PR C 1
H6B H 1.0124 0.8479 0.887 0.055 Uiso 0.619(5) 1 calc PR C 1
C7 C 0.8135(7) 0.8206(7) 0.9271(5) 0.063(2) Uani 0.619(5) 1 d PDU C 1
H7A H 0.7626 0.7992 0.9726 0.075 Uiso 0.619(5) 1 calc PR C 1
H7B H 0.7897 0.9028 0.9101 0.075 Uiso 0.619(5) 1 calc PR C 1
C8 C 0.7818(7) 0.7388(6) 0.8822(4) 0.0423(18) Uani 0.619(5) 1 d PDU C 1
H8A H 0.7899 0.7796 0.8356 0.051 Uiso 0.619(5) 1 calc PR C 1
H8B H 0.6912 0.7093 0.8969 0.051 Uiso 0.619(5) 1 calc PR C 1
C5F C 1.0142(11) 0.6140(8) 0.9462(5) 0.033(3) Uani 0.381(5) 1 d PDU C 2
H5F1 H 0.9773 0.5696 0.9902 0.039 Uiso 0.381(5) 1 calc PR C 2
H5F2 H 1.0984 0.5764 0.929 0.039 Uiso 0.381(5) 1 calc PR C 2
C6F C 1.0341(11) 0.7442(9) 0.9520(7) 0.061(3) Uani 0.381(5) 1 d PDU C 2
H6F1 H 1.0632 0.7503 0.9949 0.073 Uiso 0.381(5) 1 calc PR C 2
H6F2 H 1.1023 0.7792 0.9151 0.073 Uiso 0.381(5) 1 calc PR C 2
C7F C 0.9049(12) 0.8095(9) 0.9487(6) 0.055(3) Uani 0.381(5) 1 d PDU C 2
H7F1 H 0.8468 0.7945 0.9926 0.067 Uiso 0.381(5) 1 calc PR C 2
H7F2 H 0.9204 0.8956 0.9376 0.067 Uiso 0.381(5) 1 calc PR C 2
C8F C 0.8405(10) 0.7679(9) 0.8962(5) 0.029(2) Uani 0.381(5) 1 d PDU C 2
H8F1 H 0.8634 0.8203 0.8531 0.035 Uiso 0.381(5) 1 calc PR C 2
H8F2 H 0.7439 0.7688 0.9096 0.035 Uiso 0.381(5) 1 calc PR C 2
C9 C 0.6517(5) 0.2240(5) 0.2798(3) 0.0606(8) Uani 1 1 d . D .
H9A H 0.7244 0.2371 0.2413 0.073 Uiso 1 1 calc R . .
H9B H 0.687 0.1842 0.3194 0.073 Uiso 1 1 calc R . .
C10 C 0.5431(4) 0.1506(4) 0.2638(2) 0.0606(8) Uani 1 1 d D . .
H10A H 0.5827 0.0876 0.2382 0.073 Uiso 0.646(17) 1 calc PR D 1
H10B H 0.4903 0.1124 0.306 0.073 Uiso 0.646(17) 1 calc PR D 1
H10C H 0.4769 0.1261 0.3041 0.073 Uiso 0.354(17) 1 d PR D 2
H10D H 0.5775 0.08 0.2434 0.073 Uiso 0.354(17) 1 d PR D 2
C11 C 0.4551(7) 0.2297(5) 0.2233(3) 0.0606(8) Uani 0.646(17) 1 d PD D 1
H11A H 0.3703 0.1906 0.2257 0.073 Uiso 0.646(17) 1 calc PR D 1
H11B H 0.4975 0.2453 0.1758 0.073 Uiso 0.646(17) 1 calc PR D 1
C11F C 0.4820(11) 0.2423(7) 0.2143(4) 0.0606(8) Uani 0.354(17) 1 d PD D 2
H11C H 0.5485 0.2699 0.1747 0.073 Uiso 0.354(17) 1 calc PR D 2
H11D H 0.4084 0.2071 0.1991 0.073 Uiso 0.354(17) 1 calc PR D 2
C12 C 0.4325(4) 0.3458(4) 0.2526(3) 0.0606(8) Uani 1 1 d D D .
H12A H 0.3484 0.3434 0.2841 0.073 Uiso 0.646(17) 1 calc PR D 1
H12B H 0.4289 0.4129 0.2164 0.073 Uiso 0.646(17) 1 calc PR D 1
H12C H 0.3517 0.3219 0.2845 0.073 Uiso 0.354(17) 1 d PR D 2
H12D H 0.4147 0.4185 0.2226 0.073 Uiso 0.354(17) 1 d PR D 2
C13 C 0.9348(4) 0.7401(4) 0.16614(19) 0.0356(11) Uani 1 1 d . E 2
H13A H 1.0293 0.7223 0.1659 0.043 Uiso 1 1 calc R E 2
H13B H 0.903 0.6937 0.1351 0.043 Uiso 1 1 calc R E 2
C14 C 0.9132(5) 0.8698(5) 0.1459(2) 0.0533(14) Uani 1 1 d . E 2
H14A H 0.9822 0.9153 0.1587 0.064 Uiso 1 1 calc R E 2
H14B H 0.9185 0.8871 0.0968 0.064 Uiso 1 1 calc R E 2
C15 C 0.7818(5) 0.9057(5) 0.1797(2) 0.0563(15) Uani 1 1 d . E 2
H15A H 0.7123 0.8779 0.1581 0.068 Uiso 1 1 calc R E 2
H15B H 0.7753 0.9929 0.1761 0.068 Uiso 1 1 calc R E 2
C16 C 0.7645(4) 0.8507(4) 0.25278(19) 0.0330(10) Uani 1 1 d . E 2
H16A H 0.6703 0.8445 0.2726 0.04 Uiso 1 1 calc R E 2
H16B H 0.8086 0.8983 0.2789 0.04 Uiso 1 1 calc R E 2
C17 C 0.5847(4) 0.2278(4) 0.87156(19) 0.0325(10) Uani 1 1 d . F 2
H17A H 0.5729 0.1413 0.8757 0.039 Uiso 1 1 calc R F 2
H17B H 0.4965 0.2654 0.8766 0.039 Uiso 1 1 calc R F 2
C18 C 0.6596(4) 0.2719(4) 0.80229(19) 0.0339(10) Uani 1 1 d . F 2
H18A H 0.7444 0.2287 0.7953 0.041 Uiso 1 1 calc R F 2
H18B H 0.6784 0.357 0.7992 0.041 Uiso 1 1 calc R F 2
C19 C 0.5822(4) 0.2544(4) 0.7477(2) 0.0396(11) Uani 1 1 d . F 2
H19A H 0.569 0.1686 0.7493 0.047 Uiso 1 1 calc R F 2
H19B H 0.4946 0.292 0.7573 0.047 Uiso 1 1 calc R F 2
C20 C 0.6470(4) 0.3047(5) 0.6776(2) 0.0470(13) Uani 1 1 d . F 2
H20A H 0.7312 0.2626 0.666 0.056 Uiso 1 1 calc R F 2
H20B H 0.6663 0.3893 0.6763 0.056 Uiso 1 1 calc R F 2
C21 C 0.5604(4) 0.2931(5) 0.6262(2) 0.0465(13) Uani 1 1 d . F 2
H21A H 0.5338 0.2095 0.6311 0.056 Uiso 1 1 calc R F 2
H21B H 0.4798 0.3413 0.6358 0.056 Uiso 1 1 calc R F 2
C22 C 0.6246(4) 0.3312(4) 0.55426(19) 0.0420(12) Uani 1 1 d . F 2
H22A H 0.7022 0.2801 0.5433 0.05 Uiso 1 1 calc R F 2
H22B H 0.6552 0.4136 0.5494 0.05 Uiso 1 1 calc R F 2
C23 C 0.5304(4) 0.3239(4) 0.5051(2) 0.0406(11) Uani 1 1 d . F 2
H23A H 0.4917 0.244 0.5141 0.049 Uiso 1 1 calc R F 2
H23B H 0.4579 0.3817 0.5132 0.049 Uiso 1 1 calc R F 2
C24 C 0.5940(4) 0.3478(4) 0.43201(19) 0.0383(11) Uani 1 1 d . F 2
H24A H 0.667 0.2906 0.4236 0.046 Uiso 1 1 calc R F 2
H24B H 0.6314 0.4282 0.4224 0.046 Uiso 1 1 calc R F 2
C25 C 0.4968(4) 0.3378(4) 0.38500(19) 0.0341(10) Uani 1 1 d . F 2
H25A H 0.4243 0.3955 0.3934 0.041 Uiso 1 1 calc R F 2
H25B H 0.4587 0.2577 0.3953 0.041 Uiso 1 1 calc R F 2
C26 C 1.0057(3) 0.6334(3) 0.80651(17) 0.0265(9) Uani 1 1 d . C 2
H26A H 1.0458 0.7127 0.7973 0.032 Uiso 1 1 calc R C 2
H26B H 1.0773 0.5736 0.8073 0.032 Uiso 1 1 calc R C 2
C27 C 0.9296(4) 0.6184(4) 0.75077(18) 0.0317(10) Uani 1 1 d . C 2
H27A H 0.8978 0.5361 0.7578 0.038 Uiso 1 1 calc R C 2
H27B H 0.8518 0.6716 0.754 0.038 Uiso 1 1 calc R C 2
C28 C 1.0089(4) 0.6445(4) 0.68045(18) 0.0296(9) Uani 1 1 d . C 2
H28A H 1.0494 0.7233 0.6746 0.036 Uiso 1 1 calc R C 2
H28B H 1.0803 0.585 0.6748 0.036 Uiso 1 1 calc R C 2
C29 C 0.9237(4) 0.6423(4) 0.62740(18) 0.0294(9) Uani 1 1 d . C 2
H29A H 0.8547 0.7041 0.6324 0.035 Uiso 1 1 calc R C 2
H29B H 0.8796 0.5648 0.6352 0.035 Uiso 1 1 calc R C 2
C30 C 0.9982(4) 0.6621(3) 0.55574(17) 0.0263(9) Uani 1 1 d . C 2
H30A H 1.0652 0.5988 0.5498 0.032 Uiso 1 1 calc R C 2
H30B H 1.0442 0.7386 0.5478 0.032 Uiso 1 1 calc R C 2
C31 C 0.9073(4) 0.6627(3) 0.50407(17) 0.0274(9) Uani 1 1 d . C 2
H31A H 0.8593 0.5872 0.5131 0.033 Uiso 1 1 calc R C 2
H31B H 0.8418 0.7274 0.5095 0.033 Uiso 1 1 calc R C 2
C32 C 0.9788(4) 0.6788(3) 0.43221(17) 0.0267(9) Uani 1 1 d . C 2
H32A H 1.0431 0.6134 0.4263 0.032 Uiso 1 1 calc R C 2
H32B H 1.0279 0.7538 0.4231 0.032 Uiso 1 1 calc R C 2
C33 C 0.8856(4) 0.6811(4) 0.38192(18) 0.0296(9) Uani 1 1 d . C 2
H33A H 0.8226 0.7477 0.3872 0.036 Uiso 1 1 calc R C 2
H33B H 0.835 0.6069 0.3918 0.036 Uiso 1 1 calc R C 2
C34 C 0.9569(4) 0.6945(4) 0.30958(18) 0.0299(9) Uani 1 1 d . C 2
H34A H 1.0166 0.6258 0.3034 0.036 Uiso 1 1 calc R C 2
H34B H 1.0106 0.7668 0.2999 0.036 Uiso 1 1 calc R C 2
C49 C 0.6477(6) 0.9893(6) 0.5125(4) 0.109(5) Uiso 0.5 1 d PGD G -1
C50 C 0.6992(7) 0.9938(8) 0.4450(4) 0.073(3) Uiso 0.5 1 d PG G -1
H50 H 0.6423 0.993 0.4134 0.088 Uiso 0.5 1 calc PR G -1
C51 C 0.8341(8) 0.9995(10) 0.4238(4) 0.110(5) Uiso 0.5 1 d PG G -1
H51 H 0.8693 1.0026 0.3777 0.132 Uiso 0.5 1 calc PR G -1
C52 C 0.9175(6) 1.0007(9) 0.4701(5) 0.107(5) Uiso 0.5 1 d PG G -1
H52 H 1.0097 1.0047 0.4557 0.128 Uiso 0.5 1 calc PR G -1
C53 C 0.8660(7) 0.9962(9) 0.5376(5) 0.072(3) Uiso 0.5 1 d PG G -1
H53 H 0.9229 0.9971 0.5693 0.087 Uiso 0.5 1 calc PR G -1
C54 C 0.7311(7) 0.9905(8) 0.5588(4) 0.134(7) Uiso 0.5 1 d PG G -1
H54 H 0.6958 0.9874 0.605 0.161 Uiso 0.5 1 calc PR G -1
B1 B 0.6500(6) 0.5119(5) 0.0940(3) 0.0638(18) Uani 1 1 d D . .
C55 C 0.5032(9) 1.000(2) 0.5435(10) 0.175(10) Uiso 0.5 1 d PD G -1
H55A H 0.4953 0.9938 0.5922 0.262 Uiso 0.5 1 calc PR G -1
H55B H 0.4539 0.9358 0.5325 0.262 Uiso 0.5 1 calc PR G -1
H55C H 0.4678 1.0762 0.5257 0.262 Uiso 0.5 1 calc PR G -1



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_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 P3 2.3782(14) . ?
Ag1 P4 2.3870(13) . ?
Ag2 P1 2.3632(14) . ?
Ag2 P2 2.3644(13) . ?
P1 C17 1.816(4) . ?
P1 C1 1.822(5) . ?
P1 C4 1.835(4) . ?
P2 C26 1.819(4) . ?
P2 C5F 1.819(11) . ?
P2 C8 1.821(7) . ?
P2 C8F 1.831(10) . ?
P2 C5 1.833(7) . ?
P3 C25 1.826(4) . ?
P3 C9 1.837(5) . ?
P3 C12 1.845(5) . ?
P4 C34 1.822(4) . ?
P4 C16 1.832(4) . ?
P4 C13 1.846(4) . ?
F3 B1 1.365(7) . ?
F1 B1 1.410(7) . ?
F2 B1 1.253(10) . ?
F3F B1 1.401(7) . ?
F1F B1 1.289(7) . ?
F2F B1 1.344(8) . ?
F4 B1 1.398(6) . ?
B2 F8 1.358(8) . ?
B2 F5 1.372(9) . ?
B2 F7 1.373(9) . ?
B2 F6 1.378(10) . ?
B2F F8F 1.364(9) . ?
B2F F7F 1.370(10) . ?
B2F F6F 1.373(10) . ?
B2F F5F 1.375(10) . ?
C1 C2 1.529(7) . ?
C1 H1A 0.99 . ?
C1 H1B 0.99 . ?
C2 C3 1.524(8) . ?
C2 H2A 0.99 . ?
C2 H2B 0.99 . ?
C3 C4 1.520(6) . ?
C3 H3A 0.99 . ?
C3 H3B 0.99 . ?
C4 H4A 0.99 . ?
C4 H4B 0.99 . ?
C5 C6 1.546(6) . ?
C5 H5A 0.99 . ?
C5 H5B 0.99 . ?
C6 C7 1.533(10) . ?
C6 H6A 0.99 . ?
C6 H6B 0.99 . ?
C7 C8 1.488(11) . ?
C7 H7A 0.99 . ?
C7 H7B 0.99 . ?
C8 H8A 0.99 . ?
C8 H8B 0.99 . ?
C5F C6F 1.534(12) . ?
C5F H5F1 0.99 . ?
C5F H5F2 0.99 . ?
C6F C7F 1.515(14) . ?
C6F H6F1 0.99 . ?
C6F H6F2 0.99 . ?
C7F C8F 1.500(14) . ?
C7F H7F1 0.99 . ?
C7F H7F2 0.99 . ?
C8F H8F1 0.99 . ?
C8F H8F2 0.99 . ?
C9 C10 1.534(7) . ?
C9 H9A 0.99 . ?
C9 H9B 0.99 . ?
C10 C11 1.522(7) . ?
C10 C11F 1.545(8) . ?
C10 H10A 0.99 . ?
C10 H10B 0.99 . ?
C10 H10C 0.99 . ?
C10 H10D 0.99 . ?
C11 C12 1.530(7) . ?
C11 H11A 0.99 . ?
C11 H11B 0.99 . ?
C11F C12 1.539(8) . ?
C11F H11C 0.99 . ?
C11F H11D 0.99 . ?
C12 H12A 0.99 . ?
C12 H12B 0.99 . ?
C12 H12C 0.99 . ?
C12 H12D 0.99 . ?
C13 C14 1.499(6) . ?
C13 H13A 0.99 . ?
C13 H13B 0.99 . ?
C14 C15 1.489(7) . ?
C14 H14A 0.99 . ?
C14 H14B 0.99 . ?
C15 C16 1.521(6) . ?
C15 H15A 0.99 . ?
C15 H15B 0.99 . ?
C16 H16A 0.99 . ?
C16 H16B 0.99 . ?
C17 C18 1.521(5) . ?
C17 H17A 0.99 . ?
C17 H17B 0.99 . ?
C18 C19 1.522(6) . ?
C18 H18A 0.99 . ?
C18 H18B 0.99 . ?
C19 C20 1.518(6) . ?
C19 H19A 0.99 . ?
C19 H19B 0.99 . ?
C20 C21 1.519(6) . ?
C20 H20A 0.99 . ?
C20 H20B 0.99 . ?
C21 C22 1.517(6) . ?
C21 H21A 0.99 . ?
C21 H21B 0.99 . ?
C22 C23 1.531(6) . ?
C22 H22A 0.99 . ?
C22 H22B 0.99 . ?
C23 C24 1.519(5) . ?
C23 H23A 0.99 . ?
C23 H23B 0.99 . ?
C24 C25 1.526(6) . ?
C24 H24A 0.99 . ?
C24 H24B 0.99 . ?
C25 H25A 0.99 . ?
C25 H25B 0.99 . ?
C26 C27 1.528(5) . ?
C26 H26A 0.99 . ?
C26 H26B 0.99 . ?
C27 C28 1.526(5) . ?
C27 H27A 0.99 . ?
C27 H27B 0.99 . ?
C28 C29 1.517(5) . ?
C28 H28A 0.99 . ?
C28 H28B 0.99 . ?
C29 C30 1.527(5) . ?
C29 H29A 0.99 . ?
C29 H29B 0.99 . ?
C30 C31 1.531(5) . ?
C30 H30A 0.99 . ?
C30 H30B 0.99 . ?
C31 C32 1.520(5) . ?
C31 H31A 0.99 . ?
C31 H31B 0.99 . ?
C32 C33 1.525(5) . ?
C32 H32A 0.99 . ?
C32 H32B 0.99 . ?
C33 C34 1.528(5) . ?
C33 H33A 0.99 . ?
C33 H33B 0.99 . ?
C34 H34A 0.99 . ?
C34 H34B 0.99 . ?
C49 C50 1.39 . ?
C49 C54 1.39 . ?
C49 C55 1.529(8) . ?
C50 C51 1.39 . ?
C50 H50 0.95 . ?
C51 C52 1.39 . ?
C51 H51 0.95 . ?
C52 C53 1.39 . ?
C52 H52 0.95 . ?
C53 C54 1.39 . ?
C53 H53 0.95 . ?
C54 H54 0.95 . ?
C55 H55A 0.98 . ?
C55 H55B 0.98 . ?
C55 H55C 0.98 . ?

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
P3 Ag1 P4 172.44(4) . . ?
P1 Ag2 P2 173.81(4) . . ?
C17 P1 C1 104.0(2) . . ?
C17 P1 C4 106.3(2) . . ?
C1 P1 C4 95.0(2) . . ?
C17 P1 Ag2 114.90(13) . . ?
C1 P1 Ag2 117.06(19) . . ?
C4 P1 Ag2 117.04(15) . . ?
C26 P2 C5F 103.5(4) . . ?
C26 P2 C8 105.0(3) . . ?
C5F P2 C8 118.8(4) . . ?
C26 P2 C8F 103.6(3) . . ?
C5F P2 C8F 95.0(4) . . ?
C8 P2 C8F 25.8(3) . . ?
C26 P2 C5 105.7(2) . . ?
C5F P2 C5 23.9(3) . . ?
C8 P2 C5 95.8(3) . . ?
C8F P2 C5 71.2(4) . . ?
C26 P2 Ag2 116.38(13) . . ?
C5F P2 Ag2 107.5(3) . . ?
C8 P2 Ag2 106.3(2) . . ?
C8F P2 Ag2 126.7(3) . . ?
C5 P2 Ag2 124.14(19) . . ?
C25 P3 C9 104.7(2) . . ?
C25 P3 C12 104.0(2) . . ?
C9 P3 C12 94.9(2) . . ?
C25 P3 Ag1 113.44(15) . . ?
C9 P3 Ag1 116.91(16) . . ?
C12 P3 Ag1 120.25(16) . . ?
C34 P4 C16 105.2(2) . . ?
C34 P4 C13 107.46(18) . . ?
C16 P4 C13 94.46(18) . . ?
C34 P4 Ag1 114.59(13) . . ?
C16 P4 Ag1 117.78(14) . . ?
C13 P4 Ag1 115.07(15) . . ?
F8 B2 F5 108.8(7) . . ?
F8 B2 F7 108.4(7) . . ?
F5 B2 F7 110.0(7) . . ?
F8 B2 F6 112.1(8) . . ?
F5 B2 F6 106.1(7) . . ?
F7 B2 F6 111.4(8) . . ?
F8F B2F F7F 106.6(7) . . ?
F8F B2F F6F 112.6(8) . . ?
F7F B2F F6F 107.8(8) . . ?
F8F B2F F5F 109.3(8) . . ?
F7F B2F F5F 112.6(8) . . ?
F6F B2F F5F 108.0(7) . . ?
C2 C1 P1 105.1(3) . . ?
C2 C1 H1A 110.7 . . ?
P1 C1 H1A 110.7 . . ?
C2 C1 H1B 110.7 . . ?
P1 C1 H1B 110.7 . . ?
H1A C1 H1B 108.8 . . ?
C3 C2 C1 107.1(5) . . ?
C3 C2 H2A 110.3 . . ?
C1 C2 H2A 110.3 . . ?
C3 C2 H2B 110.3 . . ?
C1 C2 H2B 110.3 . . ?
H2A C2 H2B 108.6 . . ?
C4 C3 C2 107.3(4) . . ?
C4 C3 H3A 110.3 . . ?
C2 C3 H3A 110.3 . . ?
C4 C3 H3B 110.3 . . ?
C2 C3 H3B 110.3 . . ?
H3A C3 H3B 108.5 . . ?
C3 C4 P1 106.0(3) . . ?
C3 C4 H4A 110.5 . . ?
P1 C4 H4A 110.5 . . ?
C3 C4 H4B 110.5 . . ?
P1 C4 H4B 110.5 . . ?
H4A C4 H4B 108.7 . . ?
C6 C5 P2 102.4(5) . . ?
C6 C5 H5A 111.3 . . ?
P2 C5 H5A 111.3 . . ?
C6 C5 H5B 111.3 . . ?
P2 C5 H5B 111.3 . . ?
H5A C5 H5B 109.2 . . ?
C7 C6 C5 105.3(5) . . ?
C7 C6 H6A 110.7 . . ?
C5 C6 H6A 110.7 . . ?
C7 C6 H6B 110.7 . . ?
C5 C6 H6B 110.7 . . ?
H6A C6 H6B 108.8 . . ?
C8 C7 C6 109.2(6) . . ?
C8 C7 H7A 109.8 . . ?
C6 C7 H7A 109.8 . . ?
C8 C7 H7B 109.8 . . ?
C6 C7 H7B 109.8 . . ?
H7A C7 H7B 108.3 . . ?
C7 C8 P2 106.0(5) . . ?
C7 C8 H8A 110.5 . . ?
P2 C8 H8A 110.5 . . ?
C7 C8 H8B 110.5 . . ?
P2 C8 H8B 110.5 . . ?
H8A C8 H8B 108.7 . . ?
C6F C5F P2 105.2(7) . . ?
C6F C5F H5F1 110.7 . . ?
P2 C5F H5F1 110.7 . . ?
C6F C5F H5F2 110.7 . . ?
P2 C5F H5F2 110.7 . . ?
H5F1 C5F H5F2 108.8 . . ?
C7F C6F C5F 108.2(9) . . ?
C7F C6F H6F1 110.1 . . ?
C5F C6F H6F1 110.1 . . ?
C7F C6F H6F2 110.1 . . ?
C5F C6F H6F2 110.1 . . ?
H6F1 C6F H6F2 108.4 . . ?
C8F C7F C6F 109.5(9) . . ?
C8F C7F H7F1 109.8 . . ?
C6F C7F H7F1 109.8 . . ?
C8F C7F H7F2 109.8 . . ?
C6F C7F H7F2 109.8 . . ?
H7F1 C7F H7F2 108.2 . . ?
C7F C8F P2 107.4(7) . . ?
C7F C8F H8F1 110.2 . . ?
P2 C8F H8F1 110.2 . . ?
C7F C8F H8F2 110.2 . . ?
P2 C8F H8F2 110.2 . . ?
H8F1 C8F H8F2 108.5 . . ?
C10 C9 P3 104.2(3) . . ?
C10 C9 H9A 110.9 . . ?
P3 C9 H9A 110.9 . . ?
C10 C9 H9B 110.9 . . ?
P3 C9 H9B 110.9 . . ?
H9A C9 H9B 108.9 . . ?
C11 C10 C9 110.0(4) . . ?
C11 C10 C11F 12.4(5) . . ?
C9 C10 C11F 100.8(5) . . ?
C11 C10 H10A 109.7 . . ?
C9 C10 H10A 109.7 . . ?
C11F C10 H10A 106.5 . . ?
C11 C10 H10B 109.7 . . ?
C9 C10 H10B 109.7 . . ?
C11F C10 H10B 121.5 . . ?
H10A C10 H10B 108.2 . . ?
C11 C10 H10C 98.2 . . ?
C9 C10 H10C 111.6 . . ?
C11F C10 H10C 109.8 . . ?
H10A C10 H10C 117.1 . . ?
H10B C10 H10C 12.1 . . ?
C11 C10 H10D 113.8 . . ?
C9 C10 H10D 112.8 . . ?
C11F C10 H10D 112 . . ?
H10A C10 H10D 7.7 . . ?
H10B C10 H10D 100.5 . . ?
H10C C10 H10D 109.6 . . ?
C10 C11 C12 107.9(5) . . ?
C10 C11 H11A 110.1 . . ?
C12 C11 H11A 110.1 . . ?
C10 C11 H11B 110.1 . . ?
C12 C11 H11B 110.1 . . ?
H11A C11 H11B 108.4 . . ?
C12 C11F C10 106.3(6) . . ?
C12 C11F H11C 110.5 . . ?
C10 C11F H11C 110.5 . . ?
C12 C11F H11D 110.5 . . ?
C10 C11F H11D 110.5 . . ?
H11C C11F H11D 108.7 . . ?
C11 C12 C11F 12.4(5) . . ?
C11 C12 P3 107.9(4) . . ?
C11F C12 P3 101.9(5) . . ?
C11 C12 H12A 110.1 . . ?
C11F C12 H12A 122.5 . . ?
P3 C12 H12A 110.1 . . ?
C11 C12 H12B 110.1 . . ?
C11F C12 H12B 103.2 . . ?
P3 C12 H12B 110.1 . . ?
H12A C12 H12B 108.4 . . ?
C11 C12 H12C 96.8 . . ?
C11F C12 H12C 109.2 . . ?
P3 C12 H12C 111.2 . . ?
H12A C12 H12C 14.3 . . ?
H12B C12 H12C 119.4 . . ?
C11 C12 H12D 118.4 . . ?
C11F C12 H12D 112.8 . . ?
P3 C12 H12D 112.1 . . ?
H12A C12 H12D 97.8 . . ?
H12B C12 H12D 11.2 . . ?
H12C C12 H12D 109.5 . . ?
C14 C13 P4 106.0(3) . . ?
C14 C13 H13A 110.5 . . ?
P4 C13 H13A 110.5 . . ?
C14 C13 H13B 110.5 . . ?
P4 C13 H13B 110.5 . . ?
H13A C13 H13B 108.7 . . ?
C15 C14 C13 109.5(4) . . ?
C15 C14 H14A 109.8 . . ?
C13 C14 H14A 109.8 . . ?
C15 C14 H14B 109.8 . . ?
C13 C14 H14B 109.8 . . ?
H14A C14 H14B 108.2 . . ?
C14 C15 C16 108.2(4) . . ?
C14 C15 H15A 110.1 . . ?
C16 C15 H15A 110.1 . . ?
C14 C15 H15B 110.1 . . ?
C16 C15 H15B 110.1 . . ?
H15A C15 H15B 108.4 . . ?
C15 C16 P4 104.5(3) . . ?
C15 C16 H16A 110.8 . . ?
P4 C16 H16A 110.8 . . ?
C15 C16 H16B 110.8 . . ?
P4 C16 H16B 110.8 . . ?
H16A C16 H16B 108.9 . . ?
C18 C17 P1 113.2(3) . . ?
C18 C17 H17A 108.9 . . ?
P1 C17 H17A 108.9 . . ?
C18 C17 H17B 108.9 . . ?
P1 C17 H17B 108.9 . . ?
H17A C17 H17B 107.8 . . ?
C17 C18 C19 111.6(3) . . ?
C17 C18 H18A 109.3 . . ?
C19 C18 H18A 109.3 . . ?
C17 C18 H18B 109.3 . . ?
C19 C18 H18B 109.3 . . ?
H18A C18 H18B 108 . . ?
C20 C19 C18 114.4(4) . . ?
C20 C19 H19A 108.7 . . ?
C18 C19 H19A 108.7 . . ?
C20 C19 H19B 108.7 . . ?
C18 C19 H19B 108.7 . . ?
H19A C19 H19B 107.6 . . ?
C19 C20 C21 111.8(4) . . ?
C19 C20 H20A 109.2 . . ?
C21 C20 H20A 109.2 . . ?
C19 C20 H20B 109.2 . . ?
C21 C20 H20B 109.2 . . ?
H20A C20 H20B 107.9 . . ?
C22 C21 C20 114.4(4) . . ?
C22 C21 H21A 108.7 . . ?
C20 C21 H21A 108.7 . . ?
C22 C21 H21B 108.7 . . ?
C20 C21 H21B 108.7 . . ?
H21A C21 H21B 107.6 . . ?
C21 C22 C23 112.0(3) . . ?
C21 C22 H22A 109.2 . . ?
C23 C22 H22A 109.2 . . ?
C21 C22 H22B 109.2 . . ?
C23 C22 H22B 109.2 . . ?
H22A C22 H22B 107.9 . . ?
C24 C23 C22 114.1(3) . . ?
C24 C23 H23A 108.7 . . ?
C22 C23 H23A 108.7 . . ?
C24 C23 H23B 108.7 . . ?
C22 C23 H23B 108.7 . . ?
H23A C23 H23B 107.6 . . ?
C23 C24 C25 112.1(3) . . ?
C23 C24 H24A 109.2 . . ?
C25 C24 H24A 109.2 . . ?
C23 C24 H24B 109.2 . . ?
C25 C24 H24B 109.2 . . ?
H24A C24 H24B 107.9 . . ?
C24 C25 P3 113.5(3) . . ?
C24 C25 H25A 108.9 . . ?
P3 C25 H25A 108.9 . . ?
C24 C25 H25B 108.9 . . ?
P3 C25 H25B 108.9 . . ?
H25A C25 H25B 107.7 . . ?
C27 C26 P2 111.5(2) . . ?
C27 C26 H26A 109.3 . . ?
P2 C26 H26A 109.3 . . ?
C27 C26 H26B 109.3 . . ?
P2 C26 H26B 109.3 . . ?
H26A C26 H26B 108 . . ?
C28 C27 C26 114.3(3) . . ?
C28 C27 H27A 108.7 . . ?
C26 C27 H27A 108.7 . . ?
C28 C27 H27B 108.7 . . ?
C26 C27 H27B 108.7 . . ?
H27A C27 H27B 107.6 . . ?
C29 C28 C27 111.6(3) . . ?
C29 C28 H28A 109.3 . . ?
C27 C28 H28A 109.3 . . ?
C29 C28 H28B 109.3 . . ?
C27 C28 H28B 109.3 . . ?
H28A C28 H28B 108 . . ?
C28 C29 C30 114.3(3) . . ?
C28 C29 H29A 108.7 . . ?
C30 C29 H29A 108.7 . . ?
C28 C29 H29B 108.7 . . ?
C30 C29 H29B 108.7 . . ?
H29A C29 H29B 107.6 . . ?
C29 C30 C31 112.3(3) . . ?
C29 C30 H30A 109.1 . . ?
C31 C30 H30A 109.1 . . ?
C29 C30 H30B 109.1 . . ?
C31 C30 H30B 109.1 . . ?
H30A C30 H30B 107.9 . . ?
C32 C31 C30 113.7(3) . . ?
C32 C31 H31A 108.8 . . ?
C30 C31 H31A 108.8 . . ?
C32 C31 H31B 108.8 . . ?
C30 C31 H31B 108.8 . . ?
H31A C31 H31B 107.7 . . ?
C31 C32 C33 112.5(3) . . ?
C31 C32 H32A 109.1 . . ?
C33 C32 H32A 109.1 . . ?
C31 C32 H32B 109.1 . . ?
C33 C32 H32B 109.1 . . ?
H32A C32 H32B 107.8 . . ?
C32 C33 C34 112.8(3) . . ?
C32 C33 H33A 109 . . ?
C34 C33 H33A 109 . . ?
C32 C33 H33B 109 . . ?
C34 C33 H33B 109 . . ?
H33A C33 H33B 107.8 . . ?
C33 C34 P4 111.1(3) . . ?
C33 C34 H34A 109.4 . . ?
P4 C34 H34A 109.4 . . ?
C33 C34 H34B 109.4 . . ?
P4 C34 H34B 109.4 . . ?
H34A C34 H34B 108 . . ?
C50 C49 C54 120 . . ?
C50 C49 C55 127.0(9) . . ?
C54 C49 C55 112.5(9) . . ?
C51 C50 C49 120 . . ?
C51 C50 H50 120 . . ?
C49 C50 H50 120 . . ?
C50 C51 C52 120 . . ?
C50 C51 H51 120 . . ?
C52 C51 H51 120 . . ?
C53 C52 C51 120 . . ?
C53 C52 H52 120 . . ?
C51 C52 H52 120 . . ?
C54 C53 C52 120 . . ?
C54 C53 H53 120 . . ?
C52 C53 H53 120 . . ?
C53 C54 C49 120 . . ?
C53 C54 H54 120 . . ?
C49 C54 H54 120 . . ?
F2 B1 F1F 121.5(7) . . ?
F2 B1 F2F 17.7(5) . . ?
F1F B1 F2F 115.1(6) . . ?
F2 B1 F3 115.4(7) . . ?
F1F B1 F3 80.3(6) . . ?
F2F B1 F3 132.7(6) . . ?
F2 B1 F4 114.8(6) . . ?
F1F B1 F4 111.4(6) . . ?
F2F B1 F4 106.6(4) . . ?
F3 B1 F4 108.0(5) . . ?
F2 B1 F3F 87.6(6) . . ?
F1F B1 F3F 112.9(6) . . ?
F2F B1 F3F 105.1(5) . . ?
F3 B1 F3F 34.7(5) . . ?
F4 B1 F3F 104.9(5) . . ?
F2 B1 F1 109.6(7) . . ?
F1F B1 F1 25.1(5) . . ?
F2F B1 F1 97.6(6) . . ?
F3 B1 F1 105.4(6) . . ?
F4 B1 F1 102.4(5) . . ?
F3F B1 F1 137.4(6) . . ?
C49 C55 H55A 109.5 . . ?
C49 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C49 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?

# END of CIF

#------------------------------------------------------------------------------#
#                            END OF DATA BLOCK                                 #
#------------------------------------------------------------------------------#


####################################################################### 
# 
# 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_7
_database_code_depnum_ccdc_archive 'CCDC 1439663'
_audit_update_record             
;
2015-11-30 deposited with the CCDC.
2016-05-18 downloaded from the CCDC.
;

_audit_creation_date             2015-11-12T16:47:34-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_name_systematic        
;
 ?
;
_chemical_formula_sum            'C38 H76 Ag2 B2 F8 P4'
_chemical_formula_weight         1046.23

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.9570(4)
_cell_length_b                   18.3200(8)
_cell_length_c                   20.8840(7)
_cell_angle_alpha                103.656(3)
_cell_angle_beta                 94.894(3)
_cell_angle_gamma                92.006(3)
_cell_volume                     4791.8(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    130(2)
_cell_measurement_reflns_used    5617
_cell_measurement_theta_min      2.8516
_cell_measurement_theta_max      28.0702

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       'thin needles'
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_exptl_crystal_density_diffrn    1.45
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2160
_exptl_special_details           
;
 ?
;

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    1.008
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
        (compiled Jan 23 2012,18:06:46)
        Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_correction_T_min  0.99688
_exptl_absorpt_correction_T_max  1

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      130(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_detector_area_resol_mean 16.356
_diffrn_orient_matrix_ub_11      -0.0203517
_diffrn_orient_matrix_ub_12      -0.003764
_diffrn_orient_matrix_ub_13      -0.0333137
_diffrn_orient_matrix_ub_21      0.0122733
_diffrn_orient_matrix_ub_22      -0.0383301
_diffrn_orient_matrix_ub_23      -0.0076899
_diffrn_orient_matrix_ub_31      -0.049638
_diffrn_orient_matrix_ub_32      -0.0104541
_diffrn_orient_matrix_ub_33      0.008006
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_reflns_av_R_equivalents  0.0531
_diffrn_reflns_av_unetI/netI     0.1214
_diffrn_reflns_number            30683
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.86
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_full        25.35
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_reflns_number_total             17372
_reflns_number_gt                10161
_reflns_threshold_expression     >2σ(I)

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
        (compiled Jan 23 2012,18:06:46)
;
_computing_cell_refinement       
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
        (compiled Jan 23 2012,18:06:46)
;
_computing_data_reduction        
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
        (compiled Jan 23 2012,18:06:46)
;
_computing_structure_solution    'SIR92 (Giacovazzo 1993)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'ORTEP3 for Windows (L. J. Farrugia, 1997)'
_computing_publication_material  'WINGX  (L.J. Farrugia,1999)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION
#----------------------------------------------------------------------------#

_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_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.
;
_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)+(0.0434P)²+2.2237P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         17372
_refine_ls_number_parameters     980
_refine_ls_number_restraints     69
_refine_ls_R_factor_all          0.1311
_refine_ls_R_factor_gt           0.0643
_refine_ls_wR_factor_ref         0.1325
_refine_ls_wR_factor_gt          0.1093
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_restrained_S_all      1.008
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_diff_density_max         0.869
_refine_diff_density_min         -0.761
_refine_diff_density_rms         0.118

#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 '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'
P P 0.1023 0.0942 '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'

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
C1 C 0.6199(5) 0.4270(4) 0.3200(4) 0.0350(19) Uani 1 1 d . . .
H1A H 0.5656 0.3879 0.2973 0.042 Uiso 1 1 calc R . .
H1B H 0.6804 0.4221 0.2937 0.042 Uiso 1 1 calc R . .
C2 C 0.6517(5) 0.4189(5) 0.3906(4) 0.044(2) Uani 1 1 d . . .
H2A H 0.6488 0.3652 0.3919 0.053 Uiso 1 1 calc R . .
H2B H 0.7232 0.4405 0.4057 0.053 Uiso 1 1 calc R . .
C3 C 0.5753(5) 0.4612(4) 0.4341(4) 0.039(2) Uani 1 1 d . . .
H3A H 0.599 0.4663 0.4814 0.047 Uiso 1 1 calc R . .
H3B H 0.5063 0.434 0.4244 0.047 Uiso 1 1 calc R . .
C4 C 0.5691(5) 0.5386(4) 0.4193(3) 0.0359(19) Uani 1 1 d . . .
H4A H 0.6293 0.5722 0.4422 0.043 Uiso 1 1 calc R . .
H4B H 0.5045 0.5619 0.4336 0.043 Uiso 1 1 calc R . .
C5 C 0.9058(4) 0.6783(4) 0.2361(3) 0.0288(17) Uani 1 1 d U A .
H5A H 0.9308 0.6564 0.2732 0.035 Uiso 1 1 calc R . .
H5B H 0.932 0.6493 0.195 0.035 Uiso 1 1 calc R . .
C6 C 0.9420(5) 0.7595(5) 0.2496(5) 0.070(3) Uani 1 1 d DU . .
H6A H 0.9753 0.7753 0.2956 0.084 Uiso 0.461(15) 1 calc PR A 1
H6B H 0.9955 0.7647 0.2196 0.084 Uiso 0.461(15) 1 calc PR A 1
H6C H 1.0076 0.7674 0.279 0.084 Uiso 0.539(15) 1 d PR A 2
H6D H 0.9574 0.7709 0.2073 0.084 Uiso 0.539(15) 1 d PR A 2
C7 C 0.8607(11) 0.8097(9) 0.2414(11) 0.032(3) Uani 0.461(15) 1 d PD A 1
H7A H 0.8622 0.8216 0.1976 0.038 Uiso 0.461(15) 1 calc PR A 1
H7B H 0.8741 0.8574 0.2758 0.038 Uiso 0.461(15) 1 calc PR A 1
C8 C 0.757(2) 0.777(3) 0.2463(17) 0.032(3) Uani 0.461(15) 1 d PD A 1
H8A H 0.7047 0.7912 0.2148 0.038 Uiso 0.461(15) 1 calc PR A 1
H8B H 0.7359 0.7948 0.2916 0.038 Uiso 0.461(15) 1 calc PR A 1
C7F C 0.8677(10) 0.8100(8) 0.2797(9) 0.032(3) Uani 0.539(15) 1 d PD A 2
H7F1 H 0.8773 0.8586 0.2673 0.038 Uiso 0.539(15) 1 calc PR A 2
H7F2 H 0.8809 0.8198 0.3284 0.038 Uiso 0.539(15) 1 calc PR A 2
C8F C 0.7591(17) 0.780(2) 0.2594(14) 0.032(3) Uani 0.539(15) 1 d PD A 2
H8F1 H 0.7275 0.8032 0.2247 0.038 Uiso 0.539(15) 1 calc PR A 2
H8F2 H 0.7174 0.7914 0.2978 0.038 Uiso 0.539(15) 1 calc PR A 2
C9 C -0.2792(5) 0.1942(4) -0.2859(4) 0.0367(19) Uani 1 1 d . . .
H9A H -0.2305 0.1829 -0.3205 0.044 Uiso 1 1 calc R . .
H9B H -0.2493 0.1788 -0.2463 0.044 Uiso 1 1 calc R . .
C10 C -0.3842(6) 0.1533(5) -0.3110(5) 0.072(3) Uani 1 1 d . . .
H10A H -0.3939 0.1429 -0.3599 0.086 Uiso 1 1 calc R . .
H10B H -0.3873 0.1046 -0.2982 0.086 Uiso 1 1 calc R . .
C11 C -0.4675(6) 0.1998(5) -0.2825(5) 0.070(3) Uani 1 1 d . . .
H11A H -0.4736 0.1951 -0.2367 0.084 Uiso 1 1 calc R . .
H11B H -0.5345 0.1817 -0.309 0.084 Uiso 1 1 calc R . .
C12 C -0.4443(5) 0.2801(4) -0.2823(4) 0.041(2) Uani 1 1 d . . .
H12A H -0.4793 0.3138 -0.2475 0.05 Uiso 1 1 calc R . .
H12B H -0.4676 0.2899 -0.3257 0.05 Uiso 1 1 calc R . .
C13 C -0.1146(5) 0.4435(4) -0.4526(3) 0.040(2) Uani 1 1 d . . .
H13A H -0.0474 0.422 -0.4636 0.048 Uiso 1 1 calc R . .
H13B H -0.1716 0.4074 -0.4765 0.048 Uiso 1 1 calc R . .
C14 C -0.1234(6) 0.5194(6) -0.4704(4) 0.059(3) Uani 1 1 d . . .
H14A H -0.0544 0.5466 -0.4626 0.07 Uiso 1 1 calc R . .
H14B H -0.1479 0.5114 -0.5179 0.07 Uiso 1 1 calc R . .
C15 C -0.1973(7) 0.5649(5) -0.4296(4) 0.063(3) Uani 1 1 d . . .
H15A H -0.2694 0.5481 -0.4482 0.076 Uiso 1 1 calc R . .
H15B H -0.1862 0.6186 -0.4299 0.076 Uiso 1 1 calc R . .
C16 C -0.1805(5) 0.5558(4) -0.3598(4) 0.038(2) Uani 1 1 d . . .
H16A H -0.2474 0.5571 -0.34 0.046 Uiso 1 1 calc R . .
H16B H -0.1332 0.5971 -0.3324 0.046 Uiso 1 1 calc R . .
C17 C 0.4340(4) 0.5016(4) 0.2967(3) 0.0328(18) Uani 1 1 d . . .
H17A H 0.4045 0.4608 0.3145 0.039 Uiso 1 1 calc R . .
H17B H 0.3957 0.5471 0.3129 0.039 Uiso 1 1 calc R . .
C18 C 0.4160(5) 0.4789(4) 0.2214(3) 0.0341(18) Uani 1 1 d . . .
H18A H 0.4431 0.5202 0.2032 0.041 Uiso 1 1 calc R . .
H18B H 0.4549 0.4339 0.2046 0.041 Uiso 1 1 calc R . .
C19 C 0.3022(5) 0.4618(4) 0.1973(3) 0.0334(18) Uani 1 1 d . . .
H19A H 0.2634 0.5062 0.2163 0.04 Uiso 1 1 calc R . .
H19B H 0.2764 0.4194 0.2146 0.04 Uiso 1 1 calc R . .
C20 C 0.2778(5) 0.4419(4) 0.1225(3) 0.0358(18) Uani 1 1 d . . .
H20A H 0.3071 0.4825 0.1043 0.043 Uiso 1 1 calc R . .
H20B H 0.311 0.395 0.1032 0.043 Uiso 1 1 calc R . .
C21 C 0.1617(5) 0.4315(4) 0.1029(3) 0.0302(17) Uani 1 1 d . . .
H21A H 0.1325 0.3934 0.124 0.036 Uiso 1 1 calc R . .
H21B H 0.1298 0.4795 0.1206 0.036 Uiso 1 1 calc R . .
C22 C 0.1314(5) 0.4070(4) 0.0289(3) 0.0393(19) Uani 1 1 d . . .
H22A H 0.1629 0.4439 0.0074 0.047 Uiso 1 1 calc R . .
H22B H 0.1603 0.3578 0.0114 0.047 Uiso 1 1 calc R . .
C23 C 0.0156(5) 0.4003(4) 0.0106(3) 0.0370(19) Uani 1 1 d . . .
H23A H -0.0123 0.4505 0.0253 0.044 Uiso 1 1 calc R . .
H23B H -0.0163 0.3667 0.0352 0.044 Uiso 1 1 calc R . .
C24 C -0.0170(5) 0.3702(4) -0.0627(3) 0.0394(19) Uani 1 1 d . . .
H24A H 0.0127 0.3207 -0.0777 0.047 Uiso 1 1 calc R . .
H24B H 0.0128 0.4047 -0.0872 0.047 Uiso 1 1 calc R . .
C25 C -0.1338(5) 0.3611(4) -0.0806(3) 0.0358(18) Uani 1 1 d . . .
H25A H -0.1642 0.3254 -0.0574 0.043 Uiso 1 1 calc R . .
H25B H -0.1644 0.4102 -0.0654 0.043 Uiso 1 1 calc R . .
C26 C -0.1610(5) 0.3323(4) -0.1545(3) 0.0327(18) Uani 1 1 d . . .
H26A H -0.1313 0.2827 -0.1692 0.039 Uiso 1 1 calc R . .
H26B H -0.1283 0.3673 -0.1775 0.039 Uiso 1 1 calc R . .
C27 C -0.2780(5) 0.3241(4) -0.1755(3) 0.0305(17) Uani 1 1 d . . .
H27A H -0.3091 0.3728 -0.1591 0.037 Uiso 1 1 calc R . .
H27B H -0.3107 0.2864 -0.1553 0.037 Uiso 1 1 calc R . .
C28 C 0.7275(5) 0.6525(4) 0.1380(3) 0.0297(17) Uani 1 1 d . A .
H28A H 0.7597 0.691 0.1186 0.036 Uiso 1 1 calc R . .
H28B H 0.7554 0.6035 0.1181 0.036 Uiso 1 1 calc R . .
C29 C 0.6098(5) 0.6476(4) 0.1200(3) 0.0320(18) Uani 1 1 d . . .
H29A H 0.5773 0.6112 0.1415 0.038 Uiso 1 1 calc R . .
H29B H 0.5825 0.6974 0.1379 0.038 Uiso 1 1 calc R . .
C30 C 0.5785(5) 0.6240(4) 0.0466(3) 0.0289(17) Uani 1 1 d . . .
H30A H 0.6098 0.576 0.0281 0.035 Uiso 1 1 calc R . .
H30B H 0.6067 0.6624 0.0254 0.035 Uiso 1 1 calc R . .
C31 C 0.4618(5) 0.6141(4) 0.0292(3) 0.0312(17) Uani 1 1 d . . .
H31A H 0.4339 0.5744 0.0491 0.037 Uiso 1 1 calc R . .
H31B H 0.4302 0.6616 0.0491 0.037 Uiso 1 1 calc R . .
C32 C 0.4297(5) 0.5930(4) -0.0446(3) 0.0306(17) Uani 1 1 d . . .
H32A H 0.4606 0.5452 -0.0645 0.037 Uiso 1 1 calc R . .
H32B H 0.458 0.6324 -0.0646 0.037 Uiso 1 1 calc R . .
C33 C 0.3125(5) 0.5838(4) -0.0616(3) 0.0303(17) Uani 1 1 d . . .
H33A H 0.2809 0.6304 -0.0396 0.036 Uiso 1 1 calc R . .
H33B H 0.2845 0.5422 -0.0441 0.036 Uiso 1 1 calc R . .
C34 C 0.2811(5) 0.5671(4) -0.1365(3) 0.0285(17) Uani 1 1 d . . .
H34A H 0.306 0.6099 -0.1535 0.034 Uiso 1 1 calc R . .
H34B H 0.3159 0.522 -0.1587 0.034 Uiso 1 1 calc R . .
C35 C 0.1640(4) 0.5535(4) -0.1546(3) 0.0282(17) Uani 1 1 d . . .
H35A H 0.1388 0.5098 -0.1389 0.034 Uiso 1 1 calc R . .
H35B H 0.1285 0.5981 -0.1321 0.034 Uiso 1 1 calc R . .
C36 C 0.1371(4) 0.5389(4) -0.2291(3) 0.0263(16) Uani 1 1 d . . .
H36A H 0.1586 0.5844 -0.2435 0.032 Uiso 1 1 calc R . .
H36B H 0.1785 0.4974 -0.2511 0.032 Uiso 1 1 calc R . .
C37 C 0.0235(4) 0.5187(4) -0.2530(3) 0.0284(17) Uani 1 1 d . . .
H37A H -0.0175 0.5632 -0.2385 0.034 Uiso 1 1 calc R . .
H37B H -0.0022 0.4783 -0.2332 0.034 Uiso 1 1 calc R . .
C38 C 0.0091(4) 0.4922(4) -0.3284(3) 0.0280(17) Uani 1 1 d . . .
H38A H 0.0521 0.4486 -0.3422 0.034 Uiso 1 1 calc R . .
H38B H 0.0353 0.5331 -0.3474 0.034 Uiso 1 1 calc R . .
C39 C 0.3984(6) 0.2152(5) 0.0585(4) 0.050(2) Uani 1 1 d . . .
H39A H 0.4346 0.2126 0.0182 0.06 Uiso 1 1 calc R . .
H39B H 0.3517 0.2574 0.0633 0.06 Uiso 1 1 calc R . .
C40 C 0.4761(7) 0.2268(6) 0.1187(5) 0.071(3) Uani 1 1 d . . .
H40A H 0.5388 0.2557 0.1124 0.086 Uiso 1 1 calc R . .
H40B H 0.4456 0.2553 0.1584 0.086 Uiso 1 1 calc R . .
C41 C 0.5039(7) 0.1509(6) 0.1277(5) 0.066(3) Uani 1 1 d . . .
H41A H 0.5419 0.1555 0.1718 0.079 Uiso 1 1 calc R . .
H41B H 0.5483 0.1268 0.0933 0.079 Uiso 1 1 calc R . .
C42 C 0.4007(6) 0.1040(5) 0.1215(4) 0.048(2) Uani 1 1 d . . .
H42A H 0.3657 0.1182 0.1626 0.058 Uiso 1 1 calc R . .
H42B H 0.4126 0.0496 0.1121 0.058 Uiso 1 1 calc R . .
C43 C -0.1022(6) 0.2238(4) 0.0576(4) 0.048(2) Uani 1 1 d . . .
H43A H -0.0482 0.2656 0.0686 0.057 Uiso 1 1 calc R . .
H43B H -0.1414 0.2247 0.015 0.057 Uiso 1 1 calc R . .
C44 C -0.1744(8) 0.2319(5) 0.1118(4) 0.072(3) Uani 1 1 d . . .
H44A H -0.1384 0.2618 0.154 0.086 Uiso 1 1 calc R . .
H44B H -0.2359 0.2587 0.1005 0.086 Uiso 1 1 calc R . .
C45 C -0.2082(7) 0.1551(5) 0.1193(4) 0.063(3) Uani 1 1 d . . .
H45A H -0.2611 0.1306 0.0828 0.075 Uiso 1 1 calc R . .
H45B H -0.2385 0.1593 0.1618 0.075 Uiso 1 1 calc R . .
C46 C -0.1116(6) 0.1093(5) 0.1173(4) 0.046(2) Uani 1 1 d . . .
H46A H -0.131 0.0548 0.107 0.055 Uiso 1 1 calc R . .
H46B H -0.0683 0.1235 0.1603 0.055 Uiso 1 1 calc R . .
C47 C 0.3955(5) 0.2727(4) -0.6169(4) 0.044(2) Uani 1 1 d . . .
H47A H 0.3527 0.3147 -0.623 0.053 Uiso 1 1 calc R . .
H47B H 0.4425 0.2899 -0.5757 0.053 Uiso 1 1 calc R . .
C48 C 0.4576(6) 0.2469(5) -0.6757(4) 0.052(2) Uani 1 1 d . . .
H48A H 0.526 0.275 -0.6676 0.063 Uiso 1 1 calc R . .
H48B H 0.4203 0.2567 -0.7159 0.063 Uiso 1 1 calc R . .
C49 C 0.4723(5) 0.1633(5) -0.6855(4) 0.045(2) Uani 1 1 d . . .
H49A H 0.5227 0.1539 -0.6504 0.054 Uiso 1 1 calc R . .
H49B H 0.4979 0.1424 -0.7291 0.054 Uiso 1 1 calc R . .
C50 C 0.3659(5) 0.1277(4) -0.6819(3) 0.0348(18) Uani 1 1 d . . .
H50A H 0.3717 0.0769 -0.6737 0.042 Uiso 1 1 calc R . .
H50B H 0.3212 0.1237 -0.7237 0.042 Uiso 1 1 calc R . .
C51 C -0.1032(5) 0.3027(4) -0.6305(3) 0.0328(18) Uani 1 1 d . . .
H51A H -0.1388 0.3303 -0.5927 0.039 Uiso 1 1 calc R . .
H51B H -0.0472 0.3364 -0.6389 0.039 Uiso 1 1 calc R . .
C52 C -0.1804(5) 0.2761(4) -0.6923(4) 0.040(2) Uani 1 1 d . . .
H52A H -0.2337 0.3133 -0.6935 0.047 Uiso 1 1 calc R . .
H52B H -0.1439 0.2697 -0.7329 0.047 Uiso 1 1 calc R . .
C53 C -0.2300(5) 0.2022(4) -0.6882(3) 0.0355(19) Uani 1 1 d . . .
H53A H -0.272 0.1781 -0.7302 0.043 Uiso 1 1 calc R . .
H53B H -0.2757 0.2098 -0.6518 0.043 Uiso 1 1 calc R . .
C54 C -0.1413(4) 0.1529(4) -0.6750(3) 0.0279(17) Uani 1 1 d . . .
H54A H -0.1079 0.1325 -0.7159 0.033 Uiso 1 1 calc R . .
H54B H -0.1668 0.1106 -0.6575 0.033 Uiso 1 1 calc R . .
C55 C 0.3655(6) 0.0615(4) -0.0202(4) 0.045(2) Uani 1 1 d . . .
H55A H 0.4422 0.0647 -0.0181 0.054 Uiso 1 1 calc R . .
H55B H 0.343 0.0095 -0.0197 0.054 Uiso 1 1 calc R . .
C56 C 0.3204(6) 0.0788(5) -0.0848(4) 0.048(2) Uani 1 1 d . . .
H56A H 0.3391 0.1319 -0.084 0.058 Uiso 1 1 calc R . .
H56B H 0.2437 0.0725 -0.0882 0.058 Uiso 1 1 calc R . .
C57 C 0.3601(6) 0.0274(4) -0.1458(3) 0.042(2) Uani 1 1 d . . .
H57A H 0.4369 0.0313 -0.1408 0.051 Uiso 1 1 calc R . .
H57B H 0.3376 -0.0253 -0.1479 0.051 Uiso 1 1 calc R . .
C58 C 0.3221(6) 0.0464(4) -0.2100(3) 0.043(2) Uani 1 1 d . . .
H58A H 0.2454 0.0396 -0.2159 0.052 Uiso 1 1 calc R . .
H58B H 0.3405 0.1003 -0.2063 0.052 Uiso 1 1 calc R . .
C59 C 0.3643(5) 0.0007(4) -0.2712(3) 0.0344(18) Uani 1 1 d . . .
H59A H 0.3467 -0.0533 -0.2749 0.041 Uiso 1 1 calc R . .
H59B H 0.4408 0.0082 -0.266 0.041 Uiso 1 1 calc R . .
C60 C 0.3232(5) 0.0205(4) -0.3344(3) 0.0326(17) Uani 1 1 d . . .
H60A H 0.3426 0.0741 -0.3312 0.039 Uiso 1 1 calc R . .
H60B H 0.2465 0.0147 -0.3388 0.039 Uiso 1 1 calc R . .
C61 C 0.3627(6) -0.0269(4) -0.3968(3) 0.0394(19) Uani 1 1 d . . .
H61A H 0.3426 -0.0805 -0.4004 0.047 Uiso 1 1 calc R . .
H61B H 0.4394 -0.0214 -0.3923 0.047 Uiso 1 1 calc R . .
C62 C 0.3214(5) -0.0060(4) -0.4607(3) 0.0394(19) Uani 1 1 d . . .
H62A H 0.3394 -0.0452 -0.499 0.047 Uiso 1 1 calc R . .
H62B H 0.2448 -0.0061 -0.4627 0.047 Uiso 1 1 calc R . .
C63 C 0.3634(5) 0.0706(5) -0.4675(4) 0.040(2) Uani 1 1 d . . .
H63A H 0.3469 0.1099 -0.429 0.048 Uiso 1 1 calc R . .
H63B H 0.4399 0.0705 -0.467 0.048 Uiso 1 1 calc R . .
C64 C 0.3186(5) 0.0904(4) -0.5310(3) 0.0368(19) Uani 1 1 d . . .
H64A H 0.3311 0.0496 -0.5695 0.044 Uiso 1 1 calc R . .
H64B H 0.2427 0.0941 -0.5302 0.044 Uiso 1 1 calc R . .
C65 C 0.3663(5) 0.1640(4) -0.5391(3) 0.0337(18) Uani 1 1 d . . .
H65A H 0.442 0.1596 -0.5409 0.04 Uiso 1 1 calc R . .
H65B H 0.3557 0.2043 -0.4997 0.04 Uiso 1 1 calc R . .
C66 C -0.1059(5) 0.0717(4) -0.0242(3) 0.0363(18) Uani 1 1 d . . .
H66A H -0.0985 0.0187 -0.0223 0.044 Uiso 1 1 calc R . .
H66B H -0.1809 0.0806 -0.0271 0.044 Uiso 1 1 calc R . .
C67 C -0.0607(5) 0.0846(4) -0.0863(3) 0.0384(19) Uani 1 1 d . . .
H67A H -0.0735 0.1364 -0.0902 0.046 Uiso 1 1 calc R . .
H67B H 0.0153 0.0801 -0.0816 0.046 Uiso 1 1 calc R . .
C68 C -0.1072(5) 0.0291(4) -0.1492(3) 0.0329(17) Uani 1 1 d . . .
H68A H -0.0971 -0.0227 -0.1444 0.039 Uiso 1 1 calc R . .
H68B H -0.1828 0.0352 -0.1548 0.039 Uiso 1 1 calc R . .
C69 C -0.0597(5) 0.0394(4) -0.2108(3) 0.0374(19) Uani 1 1 d . . .
H69A H -0.074 0.0901 -0.2171 0.045 Uiso 1 1 calc R . .
H69B H 0.0165 0.0369 -0.2037 0.045 Uiso 1 1 calc R . .
C70 C -0.0994(5) -0.0180(4) -0.2725(3) 0.0322(17) Uani 1 1 d . . .
H70A H -0.1758 -0.0166 -0.2788 0.039 Uiso 1 1 calc R . .
H70B H -0.0832 -0.0686 -0.2667 0.039 Uiso 1 1 calc R . .
C71 C -0.0542(5) -0.0067(4) -0.3352(3) 0.0285(16) Uani 1 1 d . . .
H71A H 0.0223 -0.0003 -0.3264 0.034 Uiso 1 1 calc R . .
H71B H -0.0708 -0.0528 -0.371 0.034 Uiso 1 1 calc R . .
C72 C -0.0931(5) 0.0598(4) -0.3592(3) 0.0238(15) Uani 1 1 d . . .
H72A H -0.1698 0.0542 -0.3665 0.029 Uiso 1 1 calc R . .
H72B H -0.0744 0.106 -0.3239 0.029 Uiso 1 1 calc R . .
C73 C -0.0514(5) 0.0696(4) -0.4220(3) 0.0267(16) Uani 1 1 d . . .
H73A H -0.0709 0.0238 -0.4576 0.032 Uiso 1 1 calc R . .
H73B H 0.0253 0.0748 -0.415 0.032 Uiso 1 1 calc R . .
C74 C -0.0907(5) 0.1376(4) -0.4449(3) 0.0258(16) Uani 1 1 d . . .
H74A H -0.1675 0.1349 -0.4483 0.031 Uiso 1 1 calc R . .
H74B H -0.0657 0.184 -0.4113 0.031 Uiso 1 1 calc R . .
C75 C -0.0551(5) 0.1425(4) -0.5114(3) 0.0289(17) Uani 1 1 d . . .
H75A H -0.0802 0.0963 -0.5452 0.035 Uiso 1 1 calc R . .
H75B H 0.0217 0.1452 -0.5081 0.035 Uiso 1 1 calc R . .
C76 C -0.0946(5) 0.2109(4) -0.5338(3) 0.0249(16) Uani 1 1 d . . .
H76A H -0.0702 0.2572 -0.4998 0.03 Uiso 1 1 calc R . .
H76B H -0.1714 0.2079 -0.5377 0.03 Uiso 1 1 calc R . .
P1 P 0.57015(12) 0.52097(10) 0.32946(9) 0.0255(4) Uani 1 1 d . . .
P2 P 0.76369(12) 0.67618(10) 0.22705(9) 0.0232(4) Uani 1 1 d . . .
P3 P -0.30310(12) 0.29472(10) -0.26534(9) 0.0269(4) Uani 1 1 d . . .
P4 P -0.12377(13) 0.46515(11) -0.36311(9) 0.0273(4) Uani 1 1 d . . .
P5 P 0.32426(16) 0.12666(12) 0.05262(10) 0.0420(5) Uani 1 1 d . . .
P6 P -0.04245(16) 0.13304(11) 0.05156(9) 0.0375(5) Uani 1 1 d . . .
P7 P 0.31288(12) 0.19126(11) -0.61273(9) 0.0291(5) Uani 1 1 d . . .
P8 P -0.05040(12) 0.21719(10) -0.61299(9) 0.0243(4) Uani 1 1 d . . .
Ag1 Ag 0.66945(4) 0.60568(3) 0.28638(3) 0.02808(14) Uani 1 1 d . A .
Ag2 Ag -0.21400(4) 0.37329(3) -0.32163(3) 0.03057(15) Uani 1 1 d . . .
Ag3 Ag 0.14220(5) 0.13419(4) 0.06098(3) 0.04471(18) Uani 1 1 d . . .
Ag4 Ag 0.13101(4) 0.20508(3) -0.61770(3) 0.03076(15) Uani 1 1 d . . .
F9 F 0.1978(3) 0.3915(3) 0.6022(2) 0.0547(13) Uani 1 1 d D . .
F11 F 0.0648(4) 0.3090(3) 0.6006(3) 0.0817(17) Uani 1 1 d D . .
F10 F 0.1496(7) 0.3014(4) 0.5118(3) 0.145(3) Uani 1 1 d D . .
F12 F 0.2267(6) 0.2716(4) 0.6021(4) 0.140(3) Uani 1 1 d D . .
B2 B 0.8532(7) 0.7521(4) 0.7839(4) 0.046(3) Uani 1 1 d D . .
B3 B 0.1594(7) 0.3179(5) 0.5775(4) 0.052(3) Uani 1 1 d D . .
F20 F 0.8858(12) 0.8264(6) 0.7950(6) 0.062(4) Uiso 0.411(14) 1 d PD B 1
F21 F 0.7953(10) 0.7222(8) 0.7252(6) 0.065(5) Uiso 0.411(14) 1 d PD B 1
F22 F 0.9425(11) 0.7126(10) 0.7819(10) 0.115(7) Uiso 0.411(14) 1 d PD B 1
F23 F 0.8120(12) 0.7330(7) 0.8380(6) 0.070(5) Uiso 0.411(14) 1 d PD B 1
F23F F 0.8779(8) 0.7281(5) 0.8399(4) 0.069(3) Uiso 0.589(14) 1 d PD B 2
F20F F 0.8313(7) 0.8276(4) 0.7997(4) 0.047(3) Uiso 0.589(14) 1 d PD B 2
F21F F 0.7633(7) 0.7146(6) 0.7491(6) 0.077(3) Uiso 0.589(14) 1 d PD B 2
F22F F 0.9369(7) 0.7375(7) 0.7469(6) 0.090(4) Uiso 0.589(14) 1 d PD B 2
F31 F 0.5409(4) 0.1828(3) 0.8990(3) 0.0825(17) Uani 1 1 d D . .
F33 F 0.6240(4) 0.0982(4) 0.9443(4) 0.108(2) Uani 1 1 d D . .
F30 F 0.7152(5) 0.1823(4) 0.9066(4) 0.123(3) Uani 1 1 d D . .
F32 F 0.6424(7) 0.2154(6) 0.9904(5) 0.116(5) Uani 0.684(12) 1 d PD C 1
B10 B 0.6288(8) 0.1670(7) 0.9322(7) 0.049(5) Uiso 0.684(12) 1 d PD C 1
F32F F 0.6319(16) 0.1022(14) 0.8525(11) 0.130(11) Uani 0.316(12) 1 d PD C 2
B10F B 0.6256(9) 0.1490(10) 0.9101(11) 0.043(9) Uiso 0.316(12) 1 d PD C 2
F51 F -0.3611(4) 0.2655(3) -0.5321(2) 0.0765(17) Uani 1 1 d . . .
F52 F -0.2928(5) 0.2585(3) -0.4315(2) 0.096(2) Uani 1 1 d . . .
F53 F -0.4624(4) 0.2819(4) -0.4484(3) 0.095(2) Uani 1 1 d . . .
B40 B -0.3651(7) 0.2882(7) -0.4652(5) 0.049(3) Uani 1 1 d . . .
F50 F -0.3428(4) 0.3675(3) -0.4444(3) 0.0864(18) Uani 1 1 d . . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_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
C1 C2 1.541(9) . ?
C1 P1 1.832(7) . ?
C1 H1A 0.99 . ?
C1 H1B 0.99 . ?
C2 C3 1.510(9) . ?
C2 H2A 0.99 . ?
C2 H2B 0.99 . ?
C3 C4 1.523(10) . ?
C3 H3A 0.99 . ?
C3 H3B 0.99 . ?
C4 P1 1.828(7) . ?
C4 H4A 0.99 . ?
C4 H4B 0.99 . ?
C5 C6 1.497(10) . ?
C5 P2 1.833(6) . ?
C5 H5A 0.99 . ?
C5 H5B 0.99 . ?
C6 C7F 1.439(12) . ?
C6 C7 1.448(12) . ?
C6 H6A 0.99 . ?
C6 H6B 0.99 . ?
C6 H6C 0.99 . ?
C6 H6D 0.99 . ?
C7 C8 1.481(14) . ?
C7 H7A 0.99 . ?
C7 H7B 0.99 . ?
C8 P2 1.79(5) . ?
C8 H8A 0.99 . ?
C8 H8B 0.99 . ?
C7F C8F 1.481(13) . ?
C7F H7F1 0.99 . ?
C7F H7F2 0.99 . ?
C8F P2 1.87(4) . ?
C8F H8F1 0.99 . ?
C8F H8F2 0.99 . ?
C9 C10 1.519(10) . ?
C9 P3 1.833(7) . ?
C9 H9A 0.99 . ?
C9 H9B 0.99 . ?
C10 C11 1.476(11) . ?
C10 H10A 0.99 . ?
C10 H10B 0.99 . ?
C11 C12 1.490(11) . ?
C11 H11A 0.99 . ?
C11 H11B 0.99 . ?
C12 P3 1.831(6) . ?
C12 H12A 0.99 . ?
C12 H12B 0.99 . ?
C13 C14 1.528(11) . ?
C13 P4 1.832(7) . ?
C13 H13A 0.99 . ?
C13 H13B 0.99 . ?
C14 C15 1.482(11) . ?
C14 H14A 0.99 . ?
C14 H14B 0.99 . ?
C15 C16 1.504(10) . ?
C15 H15A 0.99 . ?
C15 H15B 0.99 . ?
C16 P4 1.828(7) . ?
C16 H16A 0.99 . ?
C16 H16B 0.99 . ?
C17 C18 1.524(9) . ?
C17 P1 1.828(6) . ?
C17 H17A 0.99 . ?
C17 H17B 0.99 . ?
C18 C19 1.514(8) . ?
C18 H18A 0.99 . ?
C18 H18B 0.99 . ?
C19 C20 1.520(9) . ?
C19 H19A 0.99 . ?
C19 H19B 0.99 . ?
C20 C21 1.518(9) . ?
C20 H20A 0.99 . ?
C20 H20B 0.99 . ?
C21 C22 1.516(9) . ?
C21 H21A 0.99 . ?
C21 H21B 0.99 . ?
C22 C23 1.510(9) . ?
C22 H22A 0.99 . ?
C22 H22B 0.99 . ?
C23 C24 1.518(9) . ?
C23 H23A 0.99 . ?
C23 H23B 0.99 . ?
C24 C25 1.521(9) . ?
C24 H24A 0.99 . ?
C24 H24B 0.99 . ?
C25 C26 1.516(9) . ?
C25 H25A 0.99 . ?
C25 H25B 0.99 . ?
C26 C27 1.533(8) . ?
C26 H26A 0.99 . ?
C26 H26B 0.99 . ?
C27 P3 1.824(7) . ?
C27 H27A 0.99 . ?
C27 H27B 0.99 . ?
C28 C29 1.534(8) . ?
C28 P2 1.823(7) . ?
C28 H28A 0.99 . ?
C28 H28B 0.99 . ?
C29 C30 1.506(8) . ?
C29 H29A 0.99 . ?
C29 H29B 0.99 . ?
C30 C31 1.519(8) . ?
C30 H30A 0.99 . ?
C30 H30B 0.99 . ?
C31 C32 1.515(8) . ?
C31 H31A 0.99 . ?
C31 H31B 0.99 . ?
C32 C33 1.525(8) . ?
C32 H32A 0.99 . ?
C32 H32B 0.99 . ?
C33 C34 1.537(8) . ?
C33 H33A 0.99 . ?
C33 H33B 0.99 . ?
C34 C35 1.529(8) . ?
C34 H34A 0.99 . ?
C34 H34B 0.99 . ?
C35 C36 1.523(9) . ?
C35 H35A 0.99 . ?
C35 H35B 0.99 . ?
C36 C37 1.518(8) . ?
C36 H36A 0.99 . ?
C36 H36B 0.99 . ?
C37 C38 1.527(9) . ?
C37 H37A 0.99 . ?
C37 H37B 0.99 . ?
C38 P4 1.815(6) . ?
C38 H38A 0.99 . ?
C38 H38B 0.99 . ?
C39 C40 1.510(11) . ?
C39 P5 1.830(8) . ?
C39 H39A 0.99 . ?
C39 H39B 0.99 . ?
C40 C41 1.498(12) . ?
C40 H40A 0.99 . ?
C40 H40B 0.99 . ?
C41 C42 1.543(11) . ?
C41 H41A 0.99 . ?
C41 H41B 0.99 . ?
C42 P5 1.813(7) . ?
C42 H42A 0.99 . ?
C42 H42B 0.99 . ?
C43 C44 1.513(11) . ?
C43 P6 1.840(7) . ?
C43 H43A 0.99 . ?
C43 H43B 0.99 . ?
C44 C45 1.506(12) . ?
C44 H44A 0.99 . ?
C44 H44B 0.99 . ?
C45 C46 1.530(10) . ?
C45 H45A 0.99 . ?
C45 H45B 0.99 . ?
C46 P6 1.828(7) . ?
C46 H46A 0.99 . ?
C46 H46B 0.99 . ?
C47 C48 1.515(10) . ?
C47 P7 1.829(7) . ?
C47 H47A 0.99 . ?
C47 H47B 0.99 . ?
C48 C49 1.518(11) . ?
C48 H48A 0.99 . ?
C48 H48B 0.99 . ?
C49 C50 1.519(9) . ?
C49 H49A 0.99 . ?
C49 H49B 0.99 . ?
C50 P7 1.829(7) . ?
C50 H50A 0.99 . ?
C50 H50B 0.99 . ?
C51 C52 1.534(9) . ?
C51 P8 1.834(7) . ?
C51 H51A 0.99 . ?
C51 H51B 0.99 . ?
C52 C53 1.502(10) . ?
C52 H52A 0.99 . ?
C52 H52B 0.99 . ?
C53 C54 1.532(9) . ?
C53 H53A 0.99 . ?
C53 H53B 0.99 . ?
C54 P8 1.836(6) . ?
C54 H54A 0.99 . ?
C54 H54B 0.99 . ?
C55 C56 1.532(10) . ?
C55 P5 1.829(7) . ?
C55 H55A 0.99 . ?
C55 H55B 0.99 . ?
C56 C57 1.535(9) . ?
C56 H56A 0.99 . ?
C56 H56B 0.99 . ?
C57 C58 1.510(9) . ?
C57 H57A 0.99 . ?
C57 H57B 0.99 . ?
C58 C59 1.509(9) . ?
C58 H58A 0.99 . ?
C58 H58B 0.99 . ?
C59 C60 1.511(9) . ?
C59 H59A 0.99 . ?
C59 H59B 0.99 . ?
C60 C61 1.524(9) . ?
C60 H60A 0.99 . ?
C60 H60B 0.99 . ?
C61 C62 1.533(9) . ?
C61 H61A 0.99 . ?
C61 H61B 0.99 . ?
C62 C63 1.530(10) . ?
C62 H62A 0.99 . ?
C62 H62B 0.99 . ?
C63 C64 1.528(9) . ?
C63 H63A 0.99 . ?
C63 H63B 0.99 . ?
C64 C65 1.515(9) . ?
C64 H64A 0.99 . ?
C64 H64B 0.99 . ?
C65 P7 1.815(7) . ?
C65 H65A 0.99 . ?
C65 H65B 0.99 . ?
C66 C67 1.532(9) . ?
C66 P6 1.820(7) . ?
C66 H66A 0.99 . ?
C66 H66B 0.99 . ?
C67 C68 1.521(9) . ?
C67 H67A 0.99 . ?
C67 H67B 0.99 . ?
C68 C69 1.520(9) . ?
C68 H68A 0.99 . ?
C68 H68B 0.99 . ?
C69 C70 1.498(9) . ?
C69 H69A 0.99 . ?
C69 H69B 0.99 . ?
C70 C71 1.532(9) . ?
C70 H70A 0.99 . ?
C70 H70B 0.99 . ?
C71 C72 1.509(8) . ?
C71 H71A 0.99 . ?
C71 H71B 0.99 . ?
C72 C73 1.509(8) . ?
C72 H72A 0.99 . ?
C72 H72B 0.99 . ?
C73 C74 1.524(9) . ?
C73 H73A 0.99 . ?
C73 H73B 0.99 . ?
C74 C75 1.522(8) . ?
C74 H74A 0.99 . ?
C74 H74B 0.99 . ?
C75 C76 1.527(8) . ?
C75 H75A 0.99 . ?
C75 H75B 0.99 . ?
C76 P8 1.822(6) . ?
C76 H76A 0.99 . ?
C76 H76B 0.99 . ?
P1 Ag1 2.3644(18) . ?
P2 Ag1 2.3658(18) . ?
P3 Ag2 2.3877(19) . ?
P4 Ag2 2.3818(19) . ?
P5 Ag3 2.387(2) . ?
P6 Ag3 2.383(2) . ?
P7 Ag4 2.3750(17) . ?
P8 Ag4 2.3768(16) . ?
F9 B3 1.384(9) . ?
F11 B3 1.373(8) . ?
F10 B3 1.326(9) . ?
F12 B3 1.389(9) . ?
B2 F23F 1.359(9) . ?
B2 F21 1.366(11) . ?
B2 F20 1.370(11) . ?
B2 F22F 1.382(10) . ?
B2 F22 1.384(12) . ?
B2 F21F 1.387(10) . ?
B2 F20F 1.389(9) . ?
B2 F23 1.400(11) . ?
F31 B10F 1.309(12) . ?
F31 B10 1.359(10) . ?
F33 B10F 1.302(12) . ?
F33 B10 1.343(10) . ?
F30 B10F 1.309(12) . ?
F30 B10 1.330(10) . ?
F32 B10 1.318(12) . ?
F32F B10F 1.311(14) . ?
F51 B40 1.366(10) . ?
F52 B40 1.333(10) . ?
F53 B40 1.345(10) . ?
B40 F50 1.426(12) . ?

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
C2 C1 P1 106.0(5) . . ?
C2 C1 H1A 110.5 . . ?
P1 C1 H1A 110.5 . . ?
C2 C1 H1B 110.5 . . ?
P1 C1 H1B 110.5 . . ?
H1A C1 H1B 108.7 . . ?
C3 C2 C1 106.3(5) . . ?
C3 C2 H2A 110.5 . . ?
C1 C2 H2A 110.5 . . ?
C3 C2 H2B 110.5 . . ?
C1 C2 H2B 110.5 . . ?
H2A C2 H2B 108.7 . . ?
C2 C3 C4 107.2(6) . . ?
C2 C3 H3A 110.3 . . ?
C4 C3 H3A 110.3 . . ?
C2 C3 H3B 110.3 . . ?
C4 C3 H3B 110.3 . . ?
H3A C3 H3B 108.5 . . ?
C3 C4 P1 104.8(5) . . ?
C3 C4 H4A 110.8 . . ?
P1 C4 H4A 110.8 . . ?
C3 C4 H4B 110.8 . . ?
P1 C4 H4B 110.8 . . ?
H4A C4 H4B 108.9 . . ?
C6 C5 P2 106.0(4) . . ?
C6 C5 H5A 110.5 . . ?
P2 C5 H5A 110.5 . . ?
C6 C5 H5B 110.5 . . ?
P2 C5 H5B 110.5 . . ?
H5A C5 H5B 108.7 . . ?
C7F C6 C7 32.0(7) . . ?
C7F C6 C5 113.4(8) . . ?
C7 C6 C5 114.5(9) . . ?
C7F C6 H6A 79.7 . . ?
C7 C6 H6A 108.6 . . ?
C5 C6 H6A 108.6 . . ?
C7F C6 H6B 132.2 . . ?
C7 C6 H6B 108.6 . . ?
C5 C6 H6B 108.6 . . ?
H6A C6 H6B 107.6 . . ?
C7F C6 H6C 109.3 . . ?
C7 C6 H6C 131.4 . . ?
C5 C6 H6C 108.6 . . ?
H6A C6 H6C 33.3 . . ?
H6B C6 H6C 76.5 . . ?
C7F C6 H6D 109.4 . . ?
C7 C6 H6D 79.5 . . ?
C5 C6 H6D 108.4 . . ?
H6A C6 H6D 133.7 . . ?
H6B C6 H6D 33.1 . . ?
H6C C6 H6D 107.6 . . ?
C6 C7 C8 112(2) . . ?
C6 C7 H7A 109.2 . . ?
C8 C7 H7A 109.2 . . ?
C6 C7 H7B 109.2 . . ?
C8 C7 H7B 109.2 . . ?
H7A C7 H7B 107.9 . . ?
C7 C8 P2 108(3) . . ?
C7 C8 H8A 110.2 . . ?
P2 C8 H8A 110.2 . . ?
C7 C8 H8B 110.2 . . ?
P2 C8 H8B 110.2 . . ?
H8A C8 H8B 108.5 . . ?
C6 C7F C8F 112.8(18) . . ?
C6 C7F H7F1 109 . . ?
C8F C7F H7F1 109 . . ?
C6 C7F H7F2 109 . . ?
C8F C7F H7F2 109 . . ?
H7F1 C7F H7F2 107.8 . . ?
C7F C8F P2 107(2) . . ?
C7F C8F H8F1 110.4 . . ?
P2 C8F H8F1 110.4 . . ?
C7F C8F H8F2 110.4 . . ?
P2 C8F H8F2 110.4 . . ?
H8F1 C8F H8F2 108.6 . . ?
C10 C9 P3 106.0(5) . . ?
C10 C9 H9A 110.5 . . ?
P3 C9 H9A 110.5 . . ?
C10 C9 H9B 110.5 . . ?
P3 C9 H9B 110.5 . . ?
H9A C9 H9B 108.7 . . ?
C11 C10 C9 109.9(7) . . ?
C11 C10 H10A 109.7 . . ?
C9 C10 H10A 109.7 . . ?
C11 C10 H10B 109.7 . . ?
C9 C10 H10B 109.7 . . ?
H10A C10 H10B 108.2 . . ?
C10 C11 C12 110.1(7) . . ?
C10 C11 H11A 109.6 . . ?
C12 C11 H11A 109.6 . . ?
C10 C11 H11B 109.6 . . ?
C12 C11 H11B 109.6 . . ?
H11A C11 H11B 108.2 . . ?
C11 C12 P3 105.2(5) . . ?
C11 C12 H12A 110.7 . . ?
P3 C12 H12A 110.7 . . ?
C11 C12 H12B 110.7 . . ?
P3 C12 H12B 110.7 . . ?
H12A C12 H12B 108.8 . . ?
C14 C13 P4 104.2(5) . . ?
C14 C13 H13A 110.9 . . ?
P4 C13 H13A 110.9 . . ?
C14 C13 H13B 110.9 . . ?
P4 C13 H13B 110.9 . . ?
H13A C13 H13B 108.9 . . ?
C15 C14 C13 110.0(7) . . ?
C15 C14 H14A 109.7 . . ?
C13 C14 H14A 109.7 . . ?
C15 C14 H14B 109.7 . . ?
C13 C14 H14B 109.7 . . ?
H14A C14 H14B 108.2 . . ?
C14 C15 C16 109.2(7) . . ?
C14 C15 H15A 109.8 . . ?
C16 C15 H15A 109.8 . . ?
C14 C15 H15B 109.8 . . ?
C16 C15 H15B 109.8 . . ?
H15A C15 H15B 108.3 . . ?
C15 C16 P4 107.6(6) . . ?
C15 C16 H16A 110.2 . . ?
P4 C16 H16A 110.2 . . ?
C15 C16 H16B 110.2 . . ?
P4 C16 H16B 110.2 . . ?
H16A C16 H16B 108.5 . . ?
C18 C17 P1 114.6(5) . . ?
C18 C17 H17A 108.6 . . ?
P1 C17 H17A 108.6 . . ?
C18 C17 H17B 108.6 . . ?
P1 C17 H17B 108.6 . . ?
H17A C17 H17B 107.6 . . ?
C19 C18 C17 112.1(5) . . ?
C19 C18 H18A 109.2 . . ?
C17 C18 H18A 109.2 . . ?
C19 C18 H18B 109.2 . . ?
C17 C18 H18B 109.2 . . ?
H18A C18 H18B 107.9 . . ?
C18 C19 C20 115.0(6) . . ?
C18 C19 H19A 108.5 . . ?
C20 C19 H19A 108.5 . . ?
C18 C19 H19B 108.5 . . ?
C20 C19 H19B 108.5 . . ?
H19A C19 H19B 107.5 . . ?
C21 C20 C19 111.5(6) . . ?
C21 C20 H20A 109.3 . . ?
C19 C20 H20A 109.3 . . ?
C21 C20 H20B 109.3 . . ?
C19 C20 H20B 109.3 . . ?
H20A C20 H20B 108 . . ?
C22 C21 C20 114.6(6) . . ?
C22 C21 H21A 108.6 . . ?
C20 C21 H21A 108.6 . . ?
C22 C21 H21B 108.6 . . ?
C20 C21 H21B 108.6 . . ?
H21A C21 H21B 107.6 . . ?
C23 C22 C21 113.5(6) . . ?
C23 C22 H22A 108.9 . . ?
C21 C22 H22A 108.9 . . ?
C23 C22 H22B 108.9 . . ?
C21 C22 H22B 108.9 . . ?
H22A C22 H22B 107.7 . . ?
C22 C23 C24 114.5(6) . . ?
C22 C23 H23A 108.6 . . ?
C24 C23 H23A 108.6 . . ?
C22 C23 H23B 108.6 . . ?
C24 C23 H23B 108.6 . . ?
H23A C23 H23B 107.6 . . ?
C23 C24 C25 114.3(6) . . ?
C23 C24 H24A 108.7 . . ?
C25 C24 H24A 108.7 . . ?
C23 C24 H24B 108.7 . . ?
C25 C24 H24B 108.7 . . ?
H24A C24 H24B 107.6 . . ?
C26 C25 C24 111.6(6) . . ?
C26 C25 H25A 109.3 . . ?
C24 C25 H25A 109.3 . . ?
C26 C25 H25B 109.3 . . ?
C24 C25 H25B 109.3 . . ?
H25A C25 H25B 108 . . ?
C25 C26 C27 113.7(5) . . ?
C25 C26 H26A 108.8 . . ?
C27 C26 H26A 108.8 . . ?
C25 C26 H26B 108.8 . . ?
C27 C26 H26B 108.8 . . ?
H26A C26 H26B 107.7 . . ?
C26 C27 P3 110.7(4) . . ?
C26 C27 H27A 109.5 . . ?
P3 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
P3 C27 H27B 109.5 . . ?
H27A C27 H27B 108.1 . . ?
C29 C28 P2 113.1(5) . . ?
C29 C28 H28A 109 . . ?
P2 C28 H28A 109 . . ?
C29 C28 H28B 109 . . ?
P2 C28 H28B 109 . . ?
H28A C28 H28B 107.8 . . ?
C30 C29 C28 113.6(6) . . ?
C30 C29 H29A 108.8 . . ?
C28 C29 H29A 108.8 . . ?
C30 C29 H29B 108.8 . . ?
C28 C29 H29B 108.8 . . ?
H29A C29 H29B 107.7 . . ?
C29 C30 C31 113.4(6) . . ?
C29 C30 H30A 108.9 . . ?
C31 C30 H30A 108.9 . . ?
C29 C30 H30B 108.9 . . ?
C31 C30 H30B 108.9 . . ?
H30A C30 H30B 107.7 . . ?
C32 C31 C30 113.6(6) . . ?
C32 C31 H31A 108.8 . . ?
C30 C31 H31A 108.8 . . ?
C32 C31 H31B 108.8 . . ?
C30 C31 H31B 108.8 . . ?
H31A C31 H31B 107.7 . . ?
C31 C32 C33 113.3(6) . . ?
C31 C32 H32A 108.9 . . ?
C33 C32 H32A 108.9 . . ?
C31 C32 H32B 108.9 . . ?
C33 C32 H32B 108.9 . . ?
H32A C32 H32B 107.7 . . ?
C32 C33 C34 112.6(5) . . ?
C32 C33 H33A 109.1 . . ?
C34 C33 H33A 109.1 . . ?
C32 C33 H33B 109.1 . . ?
C34 C33 H33B 109.1 . . ?
H33A C33 H33B 107.8 . . ?
C35 C34 C33 113.3(5) . . ?
C35 C34 H34A 108.9 . . ?
C33 C34 H34A 108.9 . . ?
C35 C34 H34B 108.9 . . ?
C33 C34 H34B 108.9 . . ?
H34A C34 H34B 107.7 . . ?
C36 C35 C34 111.1(5) . . ?
C36 C35 H35A 109.4 . . ?
C34 C35 H35A 109.4 . . ?
C36 C35 H35B 109.4 . . ?
C34 C35 H35B 109.4 . . ?
H35A C35 H35B 108 . . ?
C37 C36 C35 115.4(5) . . ?
C37 C36 H36A 108.4 . . ?
C35 C36 H36A 108.4 . . ?
C37 C36 H36B 108.4 . . ?
C35 C36 H36B 108.4 . . ?
H36A C36 H36B 107.5 . . ?
C36 C37 C38 110.5(5) . . ?
C36 C37 H37A 109.5 . . ?
C38 C37 H37A 109.5 . . ?
C36 C37 H37B 109.6 . . ?
C38 C37 H37B 109.5 . . ?
H37A C37 H37B 108.1 . . ?
C37 C38 P4 114.8(4) . . ?
C37 C38 H38A 108.6 . . ?
P4 C38 H38A 108.6 . . ?
C37 C38 H38B 108.6 . . ?
P4 C38 H38B 108.6 . . ?
H38A C38 H38B 107.5 . . ?
C40 C39 P5 106.8(6) . . ?
C40 C39 H39A 110.4 . . ?
P5 C39 H39A 110.4 . . ?
C40 C39 H39B 110.4 . . ?
P5 C39 H39B 110.4 . . ?
H39A C39 H39B 108.6 . . ?
C41 C40 C39 108.0(8) . . ?
C41 C40 H40A 110.1 . . ?
C39 C40 H40A 110.1 . . ?
C41 C40 H40B 110.1 . . ?
C39 C40 H40B 110.1 . . ?
H40A C40 H40B 108.4 . . ?
C40 C41 C42 106.5(7) . . ?
C40 C41 H41A 110.4 . . ?
C42 C41 H41A 110.4 . . ?
C40 C41 H41B 110.4 . . ?
C42 C41 H41B 110.4 . . ?
H41A C41 H41B 108.6 . . ?
C41 C42 P5 104.3(6) . . ?
C41 C42 H42A 110.9 . . ?
P5 C42 H42A 110.9 . . ?
C41 C42 H42B 110.9 . . ?
P5 C42 H42B 110.9 . . ?
H42A C42 H42B 108.9 . . ?
C44 C43 P6 106.9(5) . . ?
C44 C43 H43A 110.3 . . ?
P6 C43 H43A 110.3 . . ?
C44 C43 H43B 110.3 . . ?
P6 C43 H43B 110.3 . . ?
H43A C43 H43B 108.6 . . ?
C45 C44 C43 109.5(7) . . ?
C45 C44 H44A 109.8 . . ?
C43 C44 H44A 109.8 . . ?
C45 C44 H44B 109.8 . . ?
C43 C44 H44B 109.8 . . ?
H44A C44 H44B 108.2 . . ?
C44 C45 C46 107.0(7) . . ?
C44 C45 H45A 110.3 . . ?
C46 C45 H45A 110.3 . . ?
C44 C45 H45B 110.3 . . ?
C46 C45 H45B 110.3 . . ?
H45A C45 H45B 108.6 . . ?
C45 C46 P6 104.5(5) . . ?
C45 C46 H46A 110.8 . . ?
P6 C46 H46A 110.8 . . ?
C45 C46 H46B 110.8 . . ?
P6 C46 H46B 110.8 . . ?
H46A C46 H46B 108.9 . . ?
C48 C47 P7 106.4(5) . . ?
C48 C47 H47A 110.5 . . ?
P7 C47 H47A 110.5 . . ?
C48 C47 H47B 110.5 . . ?
P7 C47 H47B 110.5 . . ?
H47A C47 H47B 108.6 . . ?
C47 C48 C49 108.8(6) . . ?
C47 C48 H48A 109.9 . . ?
C49 C48 H48A 109.9 . . ?
C47 C48 H48B 109.9 . . ?
C49 C48 H48B 109.9 . . ?
H48A C48 H48B 108.3 . . ?
C48 C49 C50 105.6(6) . . ?
C48 C49 H49A 110.6 . . ?
C50 C49 H49A 110.6 . . ?
C48 C49 H49B 110.6 . . ?
C50 C49 H49B 110.6 . . ?
H49A C49 H49B 108.7 . . ?
C49 C50 P7 104.9(5) . . ?
C49 C50 H50A 110.8 . . ?
P7 C50 H50A 110.8 . . ?
C49 C50 H50B 110.8 . . ?
P7 C50 H50B 110.8 . . ?
H50A C50 H50B 108.8 . . ?
C52 C51 P8 105.7(5) . . ?
C52 C51 H51A 110.6 . . ?
P8 C51 H51A 110.6 . . ?
C52 C51 H51B 110.6 . . ?
P8 C51 H51B 110.6 . . ?
H51A C51 H51B 108.7 . . ?
C53 C52 C51 106.8(6) . . ?
C53 C52 H52A 110.4 . . ?
C51 C52 H52A 110.4 . . ?
C53 C52 H52B 110.4 . . ?
C51 C52 H52B 110.4 . . ?
H52A C52 H52B 108.6 . . ?
C52 C53 C54 106.5(5) . . ?
C52 C53 H53A 110.4 . . ?
C54 C53 H53A 110.4 . . ?
C52 C53 H53B 110.4 . . ?
C54 C53 H53B 110.4 . . ?
H53A C53 H53B 108.6 . . ?
C53 C54 P8 104.1(5) . . ?
C53 C54 H54A 110.9 . . ?
P8 C54 H54A 110.9 . . ?
C53 C54 H54B 110.9 . . ?
P8 C54 H54B 110.9 . . ?
H54A C54 H54B 109 . . ?
C56 C55 P5 112.0(5) . . ?
C56 C55 H55A 109.2 . . ?
P5 C55 H55A 109.2 . . ?
C56 C55 H55B 109.2 . . ?
P5 C55 H55B 109.2 . . ?
H55A C55 H55B 107.9 . . ?
C55 C56 C57 112.2(6) . . ?
C55 C56 H56A 109.2 . . ?
C57 C56 H56A 109.2 . . ?
C55 C56 H56B 109.2 . . ?
C57 C56 H56B 109.2 . . ?
H56A C56 H56B 107.9 . . ?
C58 C57 C56 113.3(6) . . ?
C58 C57 H57A 108.9 . . ?
C56 C57 H57A 108.9 . . ?
C58 C57 H57B 108.9 . . ?
C56 C57 H57B 108.9 . . ?
H57A C57 H57B 107.7 . . ?
C59 C58 C57 115.4(6) . . ?
C59 C58 H58A 108.4 . . ?
C57 C58 H58A 108.4 . . ?
C59 C58 H58B 108.4 . . ?
C57 C58 H58B 108.4 . . ?
H58A C58 H58B 107.5 . . ?
C58 C59 C60 113.9(6) . . ?
C58 C59 H59A 108.8 . . ?
C60 C59 H59A 108.8 . . ?
C58 C59 H59B 108.8 . . ?
C60 C59 H59B 108.8 . . ?
H59A C59 H59B 107.7 . . ?
C59 C60 C61 114.4(6) . . ?
C59 C60 H60A 108.7 . . ?
C61 C60 H60A 108.7 . . ?
C59 C60 H60B 108.7 . . ?
C61 C60 H60B 108.7 . . ?
H60A C60 H60B 107.6 . . ?
C60 C61 C62 114.0(6) . . ?
C60 C61 H61A 108.7 . . ?
C62 C61 H61A 108.7 . . ?
C60 C61 H61B 108.7 . . ?
C62 C61 H61B 108.7 . . ?
H61A C61 H61B 107.6 . . ?
C63 C62 C61 114.3(6) . . ?
C63 C62 H62A 108.7 . . ?
C61 C62 H62A 108.7 . . ?
C63 C62 H62B 108.7 . . ?
C61 C62 H62B 108.7 . . ?
H62A C62 H62B 107.6 . . ?
C64 C63 C62 112.9(6) . . ?
C64 C63 H63A 109 . . ?
C62 C63 H63A 109 . . ?
C64 C63 H63B 109 . . ?
C62 C63 H63B 109 . . ?
H63A C63 H63B 107.8 . . ?
C65 C64 C63 112.2(6) . . ?
C65 C64 H64A 109.2 . . ?
C63 C64 H64A 109.2 . . ?
C65 C64 H64B 109.2 . . ?
C63 C64 H64B 109.2 . . ?
H64A C64 H64B 107.9 . . ?
C64 C65 P7 113.8(5) . . ?
C64 C65 H65A 108.8 . . ?
P7 C65 H65A 108.8 . . ?
C64 C65 H65B 108.8 . . ?
P7 C65 H65B 108.8 . . ?
H65A C65 H65B 107.7 . . ?
C67 C66 P6 112.5(5) . . ?
C67 C66 H66A 109.1 . . ?
P6 C66 H66A 109.1 . . ?
C67 C66 H66B 109.1 . . ?
P6 C66 H66B 109.1 . . ?
H66A C66 H66B 107.8 . . ?
C68 C67 C66 112.6(6) . . ?
C68 C67 H67A 109.1 . . ?
C66 C67 H67A 109.1 . . ?
C68 C67 H67B 109.1 . . ?
C66 C67 H67B 109.1 . . ?
H67A C67 H67B 107.8 . . ?
C69 C68 C67 113.0(6) . . ?
C69 C68 H68A 109 . . ?
C67 C68 H68A 109 . . ?
C69 C68 H68B 109 . . ?
C67 C68 H68B 109 . . ?
H68A C68 H68B 107.8 . . ?
C70 C69 C68 113.8(6) . . ?
C70 C69 H69A 108.8 . . ?
C68 C69 H69A 108.8 . . ?
C70 C69 H69B 108.8 . . ?
C68 C69 H69B 108.8 . . ?
H69A C69 H69B 107.7 . . ?
C69 C70 C71 114.1(6) . . ?
C69 C70 H70A 108.7 . . ?
C71 C70 H70A 108.7 . . ?
C69 C70 H70B 108.7 . . ?
C71 C70 H70B 108.7 . . ?
H70A C70 H70B 107.6 . . ?
C72 C71 C70 114.6(5) . . ?
C72 C71 H71A 108.6 . . ?
C70 C71 H71A 108.6 . . ?
C72 C71 H71B 108.6 . . ?
C70 C71 H71B 108.6 . . ?
H71A C71 H71B 107.6 . . ?
C73 C72 C71 114.7(5) . . ?
C73 C72 H72A 108.6 . . ?
C71 C72 H72A 108.6 . . ?
C73 C72 H72B 108.6 . . ?
C71 C72 H72B 108.6 . . ?
H72A C72 H72B 107.6 . . ?
C72 C73 C74 113.8(5) . . ?
C72 C73 H73A 108.8 . . ?
C74 C73 H73A 108.8 . . ?
C72 C73 H73B 108.8 . . ?
C74 C73 H73B 108.8 . . ?
H73A C73 H73B 107.7 . . ?
C75 C74 C73 112.8(5) . . ?
C75 C74 H74A 109 . . ?
C73 C74 H74A 109 . . ?
C75 C74 H74B 109 . . ?
C73 C74 H74B 109 . . ?
H74A C74 H74B 107.8 . . ?
C74 C75 C76 112.4(5) . . ?
C74 C75 H75A 109.1 . . ?
C76 C75 H75A 109.1 . . ?
C74 C75 H75B 109.1 . . ?
C76 C75 H75B 109.1 . . ?
H75A C75 H75B 107.9 . . ?
C75 C76 P8 112.2(4) . . ?
C75 C76 H76A 109.2 . . ?
P8 C76 H76A 109.2 . . ?
C75 C76 H76B 109.2 . . ?
P8 C76 H76B 109.2 . . ?
H76A C76 H76B 107.9 . . ?
C17 P1 C4 105.0(3) . . ?
C17 P1 C1 103.4(3) . . ?
C4 P1 C1 94.6(3) . . ?
C17 P1 Ag1 117.2(2) . . ?
C4 P1 Ag1 118.2(3) . . ?
C1 P1 Ag1 115.2(2) . . ?
C8 P2 C28 101.0(11) . . ?
C8 P2 C5 95.0(8) . . ?
C28 P2 C5 105.0(3) . . ?
C8 P2 C8F 8.0(19) . . ?
C28 P2 C8F 108.9(10) . . ?
C5 P2 C8F 93.8(7) . . ?
C8 P2 Ag1 119.0(9) . . ?
C28 P2 Ag1 114.6(2) . . ?
C5 P2 Ag1 119.1(2) . . ?
C8F P2 Ag1 113.2(8) . . ?
C27 P3 C12 105.6(3) . . ?
C27 P3 C9 104.7(3) . . ?
C12 P3 C9 94.7(3) . . ?
C27 P3 Ag2 113.5(2) . . ?
C12 P3 Ag2 118.4(3) . . ?
C9 P3 Ag2 117.5(2) . . ?
C38 P4 C16 102.9(3) . . ?
C38 P4 C13 103.4(3) . . ?
C16 P4 C13 94.6(4) . . ?
C38 P4 Ag2 117.0(2) . . ?
C16 P4 Ag2 118.9(2) . . ?
C13 P4 Ag2 116.6(3) . . ?
C42 P5 C55 103.8(4) . . ?
C42 P5 C39 94.4(4) . . ?
C55 P5 C39 105.0(4) . . ?
C42 P5 Ag3 116.6(3) . . ?
C55 P5 Ag3 117.4(3) . . ?
C39 P5 Ag3 116.6(3) . . ?
C66 P6 C46 104.2(4) . . ?
C66 P6 C43 104.8(4) . . ?
C46 P6 C43 94.1(4) . . ?
C66 P6 Ag3 114.7(2) . . ?
C46 P6 Ag3 118.8(3) . . ?
C43 P6 Ag3 117.4(3) . . ?
C65 P7 C47 104.7(3) . . ?
C65 P7 C50 105.4(3) . . ?
C47 P7 C50 94.2(3) . . ?
C65 P7 Ag4 114.0(2) . . ?
C47 P7 Ag4 117.3(2) . . ?
C50 P7 Ag4 118.8(2) . . ?
C76 P8 C51 105.7(3) . . ?
C76 P8 C54 104.4(3) . . ?
C51 P8 C54 94.5(3) . . ?
C76 P8 Ag4 113.6(2) . . ?
C51 P8 Ag4 116.9(2) . . ?
C54 P8 Ag4 119.3(2) . . ?
P1 Ag1 P2 170.91(7) . . ?
P4 Ag2 P3 171.72(7) . . ?
P6 Ag3 P5 171.20(8) . . ?
P7 Ag4 P8 174.90(7) . . ?
F23F B2 F21 134.7(10) . . ?
F23F B2 F20 108.8(8) . . ?
F21 B2 F20 116.0(10) . . ?
F23F B2 F22F 105.8(8) . . ?
F21 B2 F22F 84.4(9) . . ?
F20 B2 F22F 85.9(9) . . ?
F23F B2 F22 66.7(9) . . ?
F21 B2 F22 105.7(11) . . ?
F20 B2 F22 105.9(11) . . ?
F22F B2 F22 40.1(8) . . ?
F23F B2 F21F 111.2(8) . . ?
F21 B2 F21F 29.9(7) . . ?
F20 B2 F21F 129.6(9) . . ?
F22F B2 F21F 110.8(9) . . ?
F22 B2 F21F 117.4(10) . . ?
F23F B2 F20F 110.5(7) . . ?
F21 B2 F20F 104.8(8) . . ?
F20 B2 F20F 30.3(5) . . ?
F22F B2 F20F 113.5(8) . . ?
F22 B2 F20F 135.5(11) . . ?
F21F B2 F20F 105.2(8) . . ?
F23F B2 F23 36.3(5) . . ?
F21 B2 F23 113.1(10) . . ?
F20 B2 F23 114.1(10) . . ?
F22F B2 F23 140.0(9) . . ?
F22 B2 F23 100.0(10) . . ?
F21F B2 F23 83.6(9) . . ?
F20F B2 F23 97.0(8) . . ?
F10 B3 F11 110.2(8) . . ?
F10 B3 F9 110.1(7) . . ?
F11 B3 F9 109.1(7) . . ?
F10 B3 F12 111.8(8) . . ?
F11 B3 F12 107.6(7) . . ?
F9 B3 F12 107.9(7) . . ?
B10F F31 B10 21.4(12) . . ?
B10F F33 B10 21.7(12) . . ?
B10F F30 B10 21.8(12) . . ?
F32 B10 F30 100.4(10) . . ?
F32 B10 F33 106.5(10) . . ?
F30 B10 F33 113.5(9) . . ?
F32 B10 F31 108.3(9) . . ?
F30 B10 F31 113.7(9) . . ?
F33 B10 F31 113.3(9) . . ?
F33 B10F F31 119.7(10) . . ?
F33 B10F F30 117.9(11) . . ?
F31 B10F F30 118.6(11) . . ?
F33 B10F F32F 96.4(17) . . ?
F31 B10F F32F 102.1(16) . . ?
F30 B10F F32F 91.0(16) . . ?
F52 B40 F53 115.8(9) . . ?
F52 B40 F51 112.4(9) . . ?
F53 B40 F51 111.7(7) . . ?
F52 B40 F50 105.1(7) . . ?
F53 B40 F50 101.7(8) . . ?
F51 B40 F50 109.2(8) . . ?

# END of CIF


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#                            END OF DATA BLOCK                                 #
#------------------------------------------------------------------------------#


