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

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_pbca_sq_d

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C72 H60 N18 Ru, 2(F6 P), C3 H6 O'
_chemical_formula_sum            'C75 H66 F12 N18 O P2 Ru'
_chemical_formula_weight         1626.47

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   'Pbca '
_symmetry_space_group_name_Hall  '-P 2ac 2ab'

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

_cell_length_a                   23.2400(17)
_cell_length_b                   13.2721(9)
_cell_length_c                   47.443(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     14633.5(17)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       lath
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.01
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.477
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             6656
_exptl_absorpt_coefficient_mu    0.348
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.459
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           'Mo K\a'
_diffrn_source                   'Rotating Anode'
_diffrn_radiation_monochromator  Confocal
_diffrn_measurement_specimen_support Mitegen
_diffrn_detector                 CCD
_diffrn_measurement_device       'AFC12 (Right): Kappa 3 circle'
_diffrn_measurement_device_type  'Rigaku Saturn724+ (2x2 bin mode)'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_reflns_number            38114
_diffrn_reflns_av_R_equivalents  0.0991
_diffrn_reflns_av_sigmaI/netI    0.0642
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_limit_l_max       49
_diffrn_reflns_theta_min         2.37
_diffrn_reflns_theta_max         21.97
_reflns_number_total             8193
_reflns_number_gt                6170
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
'CrystalClear-SM Expert 3.1 b27 (Rigaku, 20112)'
_computing_cell_refinement       
'CrystalClear-SM Expert 3.1 b27 (Rigaku, 20112)'
_computing_data_reduction        
'CrystalClear-SM Expert 3.1 b27 (Rigaku, 20112)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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 > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
 
 The crystals were very weakly diffracting, and this is the best of numerous  
 attempts.
 The structure was solved by direct methods. The asymmetric unit contains the
 full complex cation, two [PF6]- anions and an acetone solvent molecule. Due 
 to the weakly diffracting nature of the crystals, global restraints had 
 to be applied to all C and N atoms in order to bring the thermal
 displacement parameters in line with a chemically reasonable model.

 The structure contains a solvent accessible void which was removed by the
 Platon 'Squeeze' program. Details are given below. 

# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
  _platon_squeeze_void_nr
  _platon_squeeze_void_average_x
  _platon_squeeze_void_average_y
  _platon_squeeze_void_average_z
  _platon_squeeze_void_volume
  _platon_squeeze_void_count_electrons
  _platon_squeeze_void_content
   1  0.385  0.081  0.145        22         8 ' '
   2  0.885  0.081  0.355        22         8 ' '
   3  0.680  0.248 -0.014        54        11 ' '
   4  0.180  0.248  0.514        54        11 ' '
   5  0.180  0.252  0.014        54        11 ' '
   6  0.680  0.252  0.486        54        11 ' '
   7  0.385  0.419  0.645        22         8 ' '
   8  0.885  0.419  0.855        22         8 ' '
   9  0.115  0.581  0.145        22         8 ' '
  10  0.615  0.581  0.355        22         8 ' '
  11  0.820  0.748 -0.014        54        11 ' '
  12  0.320  0.748  0.514        54        11 ' '
  13  0.320  0.752  0.014        54        11 ' '
  14  0.820  0.752  0.486        54        11 ' '
  15  0.115  0.919  0.645        22         8 ' '
  16  0.615  0.919  0.855        22         8 ' '
_platon_squeeze_details                           ?

;

_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)+(0.0452P)²+511.3906P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8193
_refine_ls_number_parameters     984
_refine_ls_number_restraints     597
_refine_ls_R_factor_all          0.1537
_refine_ls_R_factor_gt           0.1329
_refine_ls_wR_factor_ref         0.3103
_refine_ls_wR_factor_gt          0.3021
_refine_ls_goodness_of_fit_ref   1.197
_refine_ls_restrained_S_all      1.154
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.46171(4) 0.42106(10) 0.86233(3) 0.0225(3) Uani 1 1 d . . .
N11A N 0.4303(4) 0.3880(8) 0.9022(2) 0.020(3) Uani 1 1 d U . .
C12A C 0.3995(6) 0.3003(11) 0.9042(3) 0.0277(14) Uani 1 1 d U . .
C13A C 0.3731(6) 0.2720(12) 0.9293(3) 0.0283(14) Uani 1 1 d U . .
H13A H 0.3503 0.2126 0.9299 0.034 Uiso 1 1 calc R . .
C14A C 0.3795(6) 0.3281(11) 0.9531(3) 0.0286(14) Uani 1 1 d U . .
H14A H 0.3625 0.3080 0.9704 0.034 Uiso 1 1 calc R . .
C15A C 0.4129(5) 0.4188(12) 0.9511(3) 0.0285(15) Uani 1 1 d U . .
H15A H 0.4181 0.4612 0.9670 0.034 Uiso 1 1 calc R . .
C16A C 0.4370(6) 0.4426(12) 0.9257(3) 0.0282(16) Uani 1 1 d U . .
H16A H 0.4600 0.5016 0.9246 0.034 Uiso 1 1 calc R . .
N21A N 0.4263(4) 0.2033(9) 0.8369(3) 0.025(3) Uani 1 1 d U . .
N22A N 0.4292(4) 0.2754(9) 0.8568(3) 0.024(3) Uani 1 1 d U . .
C23A C 0.3978(5) 0.2392(11) 0.8787(3) 0.0276(14) Uani 1 1 d U . .
C24A C 0.3750(6) 0.1447(11) 0.8729(3) 0.0278(15) Uani 1 1 d U . .
H24A H 0.3515 0.1039 0.8847 0.033 Uiso 1 1 calc R . .
C25A C 0.3942(5) 0.1243(12) 0.8466(3) 0.0279(16) Uani 1 1 d U . .
H25A H 0.3866 0.0642 0.8364 0.033 Uiso 1 1 calc R . .
C26A C 0.4464(6) 0.2147(11) 0.8082(3) 0.0296(15) Uani 1 1 d U . .
H26A H 0.4625 0.1497 0.8017 0.036 Uiso 1 1 calc R . .
H26B H 0.4778 0.2650 0.8079 0.036 Uiso 1 1 calc R . .
N31A N 0.0662(5) 0.4565(12) 0.7973(3) 0.048(4) Uani 1 1 d . . .
C32A C 0.0922(7) 0.3801(12) 0.7840(4) 0.0385(16) Uani 1 1 d U . .
C33A C 0.0745(7) 0.2812(12) 0.7839(4) 0.0391(16) Uani 1 1 d U . .
H33A H 0.0939 0.2307 0.7734 0.047 Uiso 1 1 calc R . .
C34A C 0.0266(7) 0.2602(13) 0.8001(4) 0.0398(16) Uani 1 1 d U . .
H34A H 0.0131 0.1928 0.8015 0.048 Uiso 1 1 calc R . .
C35A C -0.0016(7) 0.3353(12) 0.8140(4) 0.0402(17) Uani 1 1 d U . .
H35A H -0.0355 0.3211 0.8245 0.048 Uiso 1 1 calc R . .
C36A C 0.0194(6) 0.4302(13) 0.8126(4) 0.0403(18) Uani 1 1 d U . .
H36A H 0.0002 0.4814 0.8230 0.048 Uiso 1 1 calc R . .
N41A N 0.2199(5) 0.3959(10) 0.7418(3) 0.038(3) Uani 1 1 d U . .
N42A N 0.1767(6) 0.3440(11) 0.7545(3) 0.041(3) Uani 1 1 d U . .
C43A C 0.1450(6) 0.4137(13) 0.7669(4) 0.0383(16) Uani 1 1 d U . .
C44A C 0.1670(7) 0.5099(12) 0.7622(4) 0.0385(17) Uani 1 1 d U . .
H44A H 0.1518 0.5719 0.7689 0.046 Uiso 1 1 calc R . .
C45A C 0.2144(7) 0.4970(12) 0.7460(4) 0.0386(18) Uani 1 1 d U . .
H45A H 0.2391 0.5483 0.7390 0.046 Uiso 1 1 calc R . .
C46A C 0.2685(6) 0.3400(11) 0.7286(3) 0.0308(15) Uani 1 1 d U . .
H46A H 0.2864 0.3822 0.7138 0.037 Uiso 1 1 calc R . .
H46B H 0.2538 0.2778 0.7196 0.037 Uiso 1 1 calc R . .
C51A C 0.4006(6) 0.2470(11) 0.7882(3) 0.0298(14) Uani 1 1 d U . .
C52A C 0.3440(6) 0.2725(11) 0.7978(4) 0.0299(14) Uani 1 1 d U . .
H52A H 0.3344 0.2667 0.8172 0.036 Uiso 1 1 calc R . .
C53A C 0.3030(6) 0.3059(11) 0.7783(3) 0.0300(14) Uani 1 1 d U . .
H53A H 0.2660 0.3247 0.7851 0.036 Uiso 1 1 calc R . .
C54A C 0.3132(6) 0.3129(11) 0.7506(4) 0.0304(14) Uani 1 1 d U . .
C55A C 0.3705(6) 0.2908(11) 0.7408(4) 0.0303(14) Uani 1 1 d U . .
H55A H 0.3795 0.2959 0.7213 0.036 Uiso 1 1 calc R . .
C56A C 0.4122(6) 0.2623(11) 0.7598(3) 0.0301(14) Uani 1 1 d U . .
H56A H 0.4504 0.2526 0.7532 0.036 Uiso 1 1 calc R . .
N11B N 0.4895(5) 0.5627(9) 0.8739(3) 0.031(3) Uani 1 1 d . . .
C12B C 0.5453(6) 0.5687(14) 0.8859(4) 0.0413(16) Uani 1 1 d U . .
C13B C 0.5662(7) 0.6576(13) 0.8955(4) 0.0422(16) Uani 1 1 d U . .
H13B H 0.6036 0.6596 0.9036 0.051 Uiso 1 1 calc R . .
C14B C 0.5348(6) 0.7444(14) 0.8938(4) 0.0428(17) Uani 1 1 d U . .
H14B H 0.5497 0.8057 0.9011 0.051 Uiso 1 1 calc R . .
C15B C 0.4822(7) 0.7419(14) 0.8815(4) 0.0430(17) Uani 1 1 d U . .
H15B H 0.4601 0.8020 0.8802 0.052 Uiso 1 1 calc R . .
C16B C 0.4611(7) 0.6571(13) 0.8711(4) 0.0430(19) Uani 1 1 d U . .
H16B H 0.4255 0.6593 0.8613 0.052 Uiso 1 1 calc R . .
N21B N 0.5788(5) 0.3114(10) 0.8826(3) 0.034(3) Uani 1 1 d U . .
N22B N 0.5446(5) 0.3923(9) 0.8782(3) 0.030(3) Uani 1 1 d U . .
C23B C 0.5725(6) 0.4718(13) 0.8884(4) 0.0409(17) Uani 1 1 d U . .
C24B C 0.6262(6) 0.4440(13) 0.8999(4) 0.0410(17) Uani 1 1 d U . .
H24B H 0.6541 0.4862 0.9085 0.049 Uiso 1 1 calc R . .
C25B C 0.6288(6) 0.3435(13) 0.8958(4) 0.0409(18) Uani 1 1 d U . .
H25B H 0.6601 0.3013 0.9011 0.049 Uiso 1 1 calc R . .
C26B C 0.5607(7) 0.2104(12) 0.8775(4) 0.0392(17) Uani 1 1 d U . .
H26C H 0.5950 0.1690 0.8732 0.047 Uiso 1 1 calc R . .
H26D H 0.5355 0.2097 0.8607 0.047 Uiso 1 1 calc R . .
N31B N 0.5144(6) -0.4110(11) 0.9680(3) 0.044(4) Uani 1 1 d . . .
C32B C 0.5294(7) -0.3153(14) 0.9695(4) 0.0465(17) Uani 1 1 d U . .
C33B C 0.5868(7) -0.2833(14) 0.9720(4) 0.0462(17) Uani 1 1 d U . .
H33B H 0.5964 -0.2137 0.9727 0.055 Uiso 1 1 calc R . .
C34B C 0.6288(7) -0.3570(14) 0.9732(4) 0.0463(17) Uani 1 1 d U . .
H34B H 0.6681 -0.3386 0.9754 0.056 Uiso 1 1 calc R . .
C35B C 0.6139(7) -0.4554(14) 0.9714(4) 0.0464(18) Uani 1 1 d U . .
H35B H 0.6429 -0.5058 0.9715 0.056 Uiso 1 1 calc R . .
C36B C 0.5546(7) -0.4839(14) 0.9694(4) 0.0464(19) Uani 1 1 d U . .
H36B H 0.5438 -0.5529 0.9691 0.056 Uiso 1 1 calc R . .
N41B N 0.4420(5) -0.0953(10) 0.9696(3) 0.039(3) Uani 1 1 d U . .
N42B N 0.4937(5) -0.1398(11) 0.9713(3) 0.042(3) Uani 1 1 d U . .
C43B C 0.4832(7) -0.2399(14) 0.9686(4) 0.0468(17) Uani 1 1 d U . .
C44B C 0.4230(7) -0.2573(14) 0.9648(4) 0.0475(18) Uani 1 1 d U . .
H44B H 0.4036 -0.3198 0.9626 0.057 Uiso 1 1 calc R . .
C45B C 0.4006(7) -0.1652(14) 0.9651(4) 0.0477(19) Uani 1 1 d U . .
H45B H 0.3610 -0.1505 0.9626 0.057 Uiso 1 1 calc R . .
C46B C 0.4391(7) 0.0112(13) 0.9704(4) 0.0396(17) Uani 1 1 d U . .
H46C H 0.4552 0.0349 0.9885 0.047 Uiso 1 1 calc R . .
H46D H 0.3982 0.0320 0.9697 0.047 Uiso 1 1 calc R . .
C51B C 0.5282(7) 0.1616(13) 0.9023(4) 0.0392(15) Uani 1 1 d U . .
C52B C 0.5274(6) 0.2026(13) 0.9291(4) 0.0391(15) Uani 1 1 d U . .
H52B H 0.5463 0.2649 0.9325 0.047 Uiso 1 1 calc R . .
C53B C 0.4996(6) 0.1537(13) 0.9509(4) 0.0393(15) Uani 1 1 d U . .
H53B H 0.4996 0.1826 0.9693 0.047 Uiso 1 1 calc R . .
C54B C 0.4715(6) 0.0624(13) 0.9462(4) 0.0394(15) Uani 1 1 d U . .
C55B C 0.4712(7) 0.0237(13) 0.9198(4) 0.0393(15) Uani 1 1 d U . .
H55B H 0.4499 -0.0361 0.9163 0.047 Uiso 1 1 calc R . .
C56B C 0.5005(6) 0.0676(13) 0.8977(4) 0.0393(15) Uani 1 1 d U . .
H56B H 0.5021 0.0357 0.8798 0.047 Uiso 1 1 calc R . .
N11C N 0.3827(4) 0.4764(9) 0.8474(3) 0.025(3) Uani 1 1 d . . .
C12C C 0.3810(6) 0.5051(12) 0.8203(4) 0.0336(15) Uani 1 1 d U . .
C13C C 0.3315(6) 0.5437(11) 0.8081(4) 0.0340(15) Uani 1 1 d U . .
H13C H 0.3313 0.5638 0.7889 0.041 Uiso 1 1 calc R . .
C14C C 0.2821(6) 0.5524(12) 0.8244(3) 0.0343(15) Uani 1 1 d U . .
H14C H 0.2474 0.5779 0.8165 0.041 Uiso 1 1 calc R . .
C15C C 0.2841(6) 0.5235(12) 0.8522(3) 0.0346(16) Uani 1 1 d U . .
H15C H 0.2506 0.5285 0.8636 0.042 Uiso 1 1 calc R . .
C16C C 0.3351(6) 0.4870(12) 0.8638(4) 0.0345(17) Uani 1 1 d U . .
H16C H 0.3366 0.4695 0.8832 0.041 Uiso 1 1 calc R . .
N21C N 0.5219(5) 0.4403(9) 0.8011(3) 0.028(3) Uani 1 1 d U . .
N22C N 0.4790(5) 0.4512(9) 0.8204(3) 0.028(3) Uani 1 1 d U . .
C23C C 0.4347(6) 0.4925(12) 0.8049(3) 0.0336(15) Uani 1 1 d U . .
C24C C 0.4501(6) 0.5043(12) 0.7773(4) 0.0338(16) Uani 1 1 d U . .
H24C H 0.4268 0.5295 0.7624 0.041 Uiso 1 1 calc R . .
C25C C 0.5047(6) 0.4732(12) 0.7755(4) 0.0339(17) Uani 1 1 d U . .
H25C H 0.5276 0.4742 0.7589 0.041 Uiso 1 1 calc R . .
C26C C 0.5773(7) 0.3953(13) 0.8091(4) 0.0489(19) Uani 1 1 d U . .
H26E H 0.5939 0.3605 0.7925 0.059 Uiso 1 1 calc R . .
H26F H 0.5706 0.3440 0.8239 0.059 Uiso 1 1 calc R . .
N31C N 0.7185(7) 0.8782(16) 0.9601(5) 0.083(6) Uani 1 1 d . . .
C32C C 0.6970(7) 0.8542(16) 0.9331(5) 0.056(2) Uani 1 1 d U . .
C33C C 0.6518(7) 0.9072(15) 0.9228(5) 0.056(2) Uani 1 1 d U . .
H33C H 0.6361 0.8913 0.9049 0.068 Uiso 1 1 calc R . .
C34C C 0.6287(7) 0.9853(16) 0.9388(5) 0.057(2) Uani 1 1 d U . .
H34C H 0.5991 1.0250 0.9306 0.069 Uiso 1 1 calc R . .
C35C C 0.6450(7) 1.0069(16) 0.9640(5) 0.058(2) Uani 1 1 d U . .
H35C H 0.6255 1.0573 0.9745 0.070 Uiso 1 1 calc R . .
C36C C 0.6914(7) 0.9554(15) 0.9756(5) 0.058(2) Uani 1 1 d U . .
H36C H 0.7049 0.9723 0.9939 0.070 Uiso 1 1 calc R . .
N41C N 0.7481(7) 0.6917(12) 0.8807(3) 0.054(4) Uani 1 1 d U . .
N42C N 0.7191(6) 0.7773(12) 0.8886(3) 0.049(4) Uani 1 1 d U . .
C43C C 0.7220(7) 0.7768(16) 0.9168(5) 0.056(2) Uani 1 1 d U . .
C44C C 0.7530(8) 0.6895(15) 0.9264(5) 0.056(2) Uani 1 1 d U . .
H44C H 0.7617 0.6717 0.9453 0.068 Uiso 1 1 calc R . .
C45C C 0.7671(7) 0.6386(16) 0.9030(5) 0.057(2) Uani 1 1 d U . .
H45C H 0.7869 0.5761 0.9023 0.068 Uiso 1 1 calc R . .
C46C C 0.7515(8) 0.6702(15) 0.8514(4) 0.0514(19) Uani 1 1 d U . .
H46E H 0.7896 0.6401 0.8475 0.062 Uiso 1 1 calc R . .
H46F H 0.7494 0.7347 0.8409 0.062 Uiso 1 1 calc R . .
C51C C 0.6202(7) 0.4718(14) 0.8199(4) 0.0493(18) Uani 1 1 d U . .
C52C C 0.6127(7) 0.5715(14) 0.8203(4) 0.0499(18) Uani 1 1 d U . .
H52C H 0.5771 0.5973 0.8137 0.060 Uiso 1 1 calc R . .
C53C C 0.6538(7) 0.6403(15) 0.8299(4) 0.0505(18) Uani 1 1 d U . .
H53C H 0.6467 0.7108 0.8296 0.061 Uiso 1 1 calc R . .
C54C C 0.7061(7) 0.6009(14) 0.8399(4) 0.0507(18) Uani 1 1 d U . .
C55C C 0.7141(7) 0.4994(14) 0.8396(4) 0.0503(18) Uani 1 1 d U . .
H55C H 0.7494 0.4722 0.8463 0.060 Uiso 1 1 calc R . .
C56C C 0.6726(7) 0.4362(15) 0.8300(4) 0.0497(18) Uani 1 1 d U . .
H56C H 0.6795 0.3656 0.8301 0.060 Uiso 1 1 calc R . .
C1S C 0.6956(10) 0.3173(18) 0.6598(5) 0.080(4) Uani 1 1 d U . .
H1S1 H 0.6942 0.3751 0.6726 0.121 Uiso 1 1 calc R . .
H1S2 H 0.7359 0.2991 0.6562 0.121 Uiso 1 1 calc R . .
H1S3 H 0.6757 0.2600 0.6684 0.121 Uiso 1 1 calc R . .
C2S C 0.6674(12) 0.3438(19) 0.6330(6) 0.080(4) Uani 1 1 d U . .
C3S C 0.6829(11) 0.2913(18) 0.6075(5) 0.081(4) Uani 1 1 d U . .
H3S1 H 0.6760 0.3351 0.5912 0.122 Uiso 1 1 calc R . .
H3S2 H 0.6596 0.2301 0.6057 0.122 Uiso 1 1 calc R . .
H3S3 H 0.7237 0.2730 0.6081 0.122 Uiso 1 1 calc R . .
O1S O 0.6293(7) 0.4020(11) 0.6337(4) 0.089(5) Uani 1 1 d . . .
P1 P 0.8781(2) 0.6022(4) 0.79486(12) 0.0535(14) Uani 1 1 d . . .
F1 F 0.9254(5) 0.6726(12) 0.7797(3) 0.101(5) Uani 1 1 d . . .
F2 F 0.8432(6) 0.6989(10) 0.8031(3) 0.089(4) Uani 1 1 d . . .
F3 F 0.8339(8) 0.5327(11) 0.8101(3) 0.117(6) Uani 1 1 d . . .
F4 F 0.9118(7) 0.5050(10) 0.7869(3) 0.097(5) Uani 1 1 d . . .
F5 F 0.9095(8) 0.6138(13) 0.8222(3) 0.117(6) Uani 1 1 d . . .
F6 F 0.8445(5) 0.5950(12) 0.7650(3) 0.082(4) Uani 1 1 d . . .
P2 P 0.2402(2) 0.0547(4) 0.94240(12) 0.0575(15) Uani 1 1 d . . .
F11 F 0.2270(5) -0.0499(10) 0.9267(4) 0.108(5) Uani 1 1 d . . .
F12 F 0.1776(5) 0.0872(13) 0.9312(4) 0.111(5) Uani 1 1 d . . .
F13 F 0.2112(7) 0.0226(17) 0.9704(3) 0.140(8) Uani 1 1 d . . .
F14 F 0.2492(10) 0.1642(17) 0.9547(4) 0.167(10) Uani 1 1 d . . .
F15 F 0.2985(6) 0.030(2) 0.9537(5) 0.214(14) Uani 1 1 d . . .
F16 F 0.2659(4) 0.0964(11) 0.9140(2) 0.080(4) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 N11B 2.062(12) . ?
Ru1 N22C 2.070(12) . ?
Ru1 N11A 2.075(11) . ?
Ru1 N22A 2.092(12) . ?
Ru1 N11C 2.100(11) . ?
Ru1 N22B 2.103(12) . ?
N11A C16A 1.338(18) . ?
N11A C12A 1.369(18) . ?
C12A C13A 1.39(2) . ?
C12A C23A 1.46(2) . ?
C13A C14A 1.36(2) . ?
C13A H13A 0.9500 . ?
C14A C15A 1.44(2) . ?
C14A H14A 0.9500 . ?
C15A C16A 1.36(2) . ?
C15A H15A 0.9500 . ?
C16A H16A 0.9500 . ?
N21A N22A 1.348(16) . ?
N21A C25A 1.367(19) . ?
N21A C26A 1.446(19) . ?
N22A C23A 1.357(19) . ?
C23A C24A 1.39(2) . ?
C24A C25A 1.35(2) . ?
C24A H24A 0.9500 . ?
C25A H25A 0.9500 . ?
C26A C51A 1.49(2) . ?
C26A H26A 0.9900 . ?
C26A H26B 0.9900 . ?
N31A C32A 1.34(2) . ?
N31A C36A 1.35(2) . ?
C32A C33A 1.38(2) . ?
C32A C43A 1.54(2) . ?
C33A C34A 1.38(2) . ?
C33A H33A 0.9500 . ?
C34A C35A 1.36(2) . ?
C34A H34A 0.9500 . ?
C35A C36A 1.35(2) . ?
C35A H35A 0.9500 . ?
C36A H36A 0.9500 . ?
N41A N42A 1.360(19) . ?
N41A C45A 1.36(2) . ?
N41A C46A 1.488(19) . ?
N42A C43A 1.32(2) . ?
C43A C44A 1.39(2) . ?
C44A C45A 1.35(2) . ?
C44A H44A 0.9500 . ?
C45A H45A 0.9500 . ?
C46A C54A 1.52(2) . ?
C46A H46A 0.9900 . ?
C46A H46B 0.9900 . ?
C51A C56A 1.39(2) . ?
C51A C52A 1.43(2) . ?
C52A C53A 1.40(2) . ?
C52A H52A 0.9500 . ?
C53A C54A 1.34(2) . ?
C53A H53A 0.9500 . ?
C54A C55A 1.44(2) . ?
C55A C56A 1.37(2) . ?
C55A H55A 0.9500 . ?
C56A H56A 0.9500 . ?
N11B C12B 1.418(19) . ?
N11B C16B 1.42(2) . ?
C12B C13B 1.36(2) . ?
C12B C23B 1.44(2) . ?
C13B C14B 1.37(2) . ?
C13B H13B 0.9500 . ?
C14B C15B 1.36(2) . ?
C14B H14B 0.9500 . ?
C15B C16B 1.32(2) . ?
C15B H15B 0.9500 . ?
C16B H16B 0.9500 . ?
N21B N22B 1.352(17) . ?
N21B C25B 1.39(2) . ?
N21B C26B 1.43(2) . ?
N22B C23B 1.33(2) . ?
C23B C24B 1.41(2) . ?
C24B C25B 1.35(2) . ?
C24B H24B 0.9500 . ?
C25B H25B 0.9500 . ?
C26B C51B 1.54(2) . ?
C26B H26C 0.9900 . ?
C26B H26D 0.9900 . ?
N31B C32B 1.32(2) . ?
N31B C36B 1.35(2) . ?
C32B C33B 1.40(2) . ?
C32B C43B 1.47(2) . ?
C33B C34B 1.38(2) . ?
C33B H33B 0.9500 . ?
C34B C35B 1.35(3) . ?
C34B H34B 0.9500 . ?
C35B C36B 1.43(2) . ?
C35B H35B 0.9500 . ?
C36B H36B 0.9500 . ?
N41B N42B 1.343(18) . ?
N41B C45B 1.35(2) . ?
N41B C46B 1.42(2) . ?
N42B C43B 1.36(2) . ?
C43B C44B 1.43(2) . ?
C44B C45B 1.33(3) . ?
C44B H44B 0.9500 . ?
C45B H45B 0.9500 . ?
C46B C54B 1.53(2) . ?
C46B H46C 0.9900 . ?
C46B H46D 0.9900 . ?
C51B C52B 1.38(2) . ?
C51B C56B 1.42(2) . ?
C52B C53B 1.38(2) . ?
C52B H52B 0.9500 . ?
C53B C54B 1.39(2) . ?
C53B H53B 0.9500 . ?
C54B C55B 1.35(2) . ?
C55B C56B 1.38(2) . ?
C55B H55B 0.9500 . ?
C56B H56B 0.9500 . ?
N11C C12C 1.34(2) . ?
N11C C16C 1.359(19) . ?
C12C C13C 1.39(2) . ?
C12C C23C 1.46(2) . ?
C13C C14C 1.39(2) . ?
C13C H13C 0.9500 . ?
C14C C15C 1.38(2) . ?
C14C H14C 0.9500 . ?
C15C C16C 1.39(2) . ?
C15C H15C 0.9500 . ?
C16C H16C 0.9500 . ?
N21C C25C 1.35(2) . ?
N21C N22C 1.362(16) . ?
N21C C26C 1.47(2) . ?
N22C C23C 1.379(19) . ?
C23C C24C 1.36(2) . ?
C24C C25C 1.34(2) . ?
C24C H24C 0.9500 . ?
C25C H25C 0.9500 . ?
C26C C51C 1.51(2) . ?
C26C H26E 0.9900 . ?
C26C H26F 0.9900 . ?
N31C C36C 1.41(3) . ?
N31C C32C 1.41(3) . ?
C32C C33C 1.35(3) . ?
C32C C43C 1.41(3) . ?
C33C C34C 1.39(3) . ?
C33C H33C 0.9500 . ?
C34C C35C 1.28(3) . ?
C34C H34C 0.9500 . ?
C35C C36C 1.39(3) . ?
C35C H35C 0.9500 . ?
C36C H36C 0.9500 . ?
N41C C45C 1.35(2) . ?
N41C N42C 1.37(2) . ?
N41C C46C 1.42(2) . ?
N42C C43C 1.34(2) . ?
C43C C44C 1.44(3) . ?
C44C C45C 1.34(3) . ?
C44C H44C 0.9500 . ?
C45C H45C 0.9500 . ?
C46C C54C 1.50(2) . ?
C46C H46E 0.9900 . ?
C46C H46F 0.9900 . ?
C51C C52C 1.34(3) . ?
C51C C56C 1.39(3) . ?
C52C C53C 1.40(2) . ?
C52C H52C 0.9500 . ?
C53C C54C 1.41(3) . ?
C53C H53C 0.9500 . ?
C54C C55C 1.36(3) . ?
C55C C56C 1.36(2) . ?
C55C H55C 0.9500 . ?
C56C H56C 0.9500 . ?
C1S C2S 1.47(3) . ?
C1S H1S1 0.9800 . ?
C1S H1S2 0.9800 . ?
C1S H1S3 0.9800 . ?
C2S O1S 1.18(3) . ?
C2S C3S 1.44(3) . ?
C3S H3S1 0.9800 . ?
C3S H3S2 0.9800 . ?
C3S H3S3 0.9800 . ?
P1 F5 1.497(15) . ?
P1 F4 1.556(13) . ?
P1 F3 1.559(14) . ?
P1 F2 1.569(14) . ?
P1 F1 1.610(14) . ?
P1 F6 1.621(13) . ?
P2 F15 1.495(15) . ?
P2 F13 1.548(15) . ?
P2 F16 1.574(13) . ?
P2 F14 1.58(2) . ?
P2 F11 1.604(15) . ?
P2 F12 1.607(13) . ?

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
N11B Ru1 N22C 91.2(5) . . ?
N11B Ru1 N11A 93.4(5) . . ?
N22C Ru1 N11A 170.4(4) . . ?
N11B Ru1 N22A 171.4(5) . . ?
N22C Ru1 N22A 97.4(5) . . ?
N11A Ru1 N22A 78.0(5) . . ?
N11B Ru1 N11C 92.6(5) . . ?
N22C Ru1 N11C 77.2(5) . . ?
N11A Ru1 N11C 94.2(4) . . ?
N22A Ru1 N11C 88.0(4) . . ?
N11B Ru1 N22B 77.5(5) . . ?
N22C Ru1 N22B 101.6(5) . . ?
N11A Ru1 N22B 87.6(4) . . ?
N22A Ru1 N22B 102.0(4) . . ?
N11C Ru1 N22B 170.0(5) . . ?
C16A N11A C12A 117.6(13) . . ?
C16A N11A Ru1 127.1(10) . . ?
C12A N11A Ru1 115.3(9) . . ?
N11A C12A C13A 121.3(14) . . ?
N11A C12A C23A 115.4(13) . . ?
C13A C12A C23A 123.3(14) . . ?
C14A C13A C12A 120.8(14) . . ?
C14A C13A H13A 119.6 . . ?
C12A C13A H13A 119.6 . . ?
C13A C14A C15A 117.7(14) . . ?
C13A C14A H14A 121.2 . . ?
C15A C14A H14A 121.2 . . ?
C16A C15A C14A 118.3(15) . . ?
C16A C15A H15A 120.8 . . ?
C14A C15A H15A 120.8 . . ?
N11A C16A C15A 124.1(14) . . ?
N11A C16A H16A 117.9 . . ?
C15A C16A H16A 117.9 . . ?
N22A N21A C25A 109.5(12) . . ?
N22A N21A C26A 124.8(12) . . ?
C25A N21A C26A 125.0(12) . . ?
N21A N22A C23A 105.0(11) . . ?
N21A N22A Ru1 139.6(9) . . ?
C23A N22A Ru1 115.2(10) . . ?
N22A C23A C24A 112.0(14) . . ?
N22A C23A C12A 115.0(13) . . ?
C24A C23A C12A 132.5(14) . . ?
C25A C24A C23A 103.7(14) . . ?
C25A C24A H24A 128.2 . . ?
C23A C24A H24A 128.2 . . ?
C24A C25A N21A 109.8(14) . . ?
C24A C25A H25A 125.1 . . ?
N21A C25A H25A 125.1 . . ?
N21A C26A C51A 113.5(12) . . ?
N21A C26A H26A 108.9 . . ?
C51A C26A H26A 108.9 . . ?
N21A C26A H26B 108.9 . . ?
C51A C26A H26B 108.9 . . ?
H26A C26A H26B 107.7 . . ?
C32A N31A C36A 114.9(15) . . ?
N31A C32A C33A 126.0(16) . . ?
N31A C32A C43A 112.9(14) . . ?
C33A C32A C43A 121.0(16) . . ?
C32A C33A C34A 115.7(16) . . ?
C32A C33A H33A 122.2 . . ?
C34A C33A H33A 122.2 . . ?
C35A C34A C33A 120.6(16) . . ?
C35A C34A H34A 119.7 . . ?
C33A C34A H34A 119.7 . . ?
C36A C35A C34A 119.0(16) . . ?
C36A C35A H35A 120.5 . . ?
C34A C35A H35A 120.5 . . ?
C35A C36A N31A 123.7(17) . . ?
C35A C36A H36A 118.1 . . ?
N31A C36A H36A 118.1 . . ?
N42A N41A C45A 111.4(14) . . ?
N42A N41A C46A 119.6(13) . . ?
C45A N41A C46A 128.5(14) . . ?
C43A N42A N41A 104.8(14) . . ?
N42A C43A C44A 111.4(15) . . ?
N42A C43A C32A 118.5(14) . . ?
C44A C43A C32A 130.1(15) . . ?
C45A C44A C43A 105.9(15) . . ?
C45A C44A H44A 127.0 . . ?
C43A C44A H44A 127.0 . . ?
C44A C45A N41A 106.5(15) . . ?
C44A C45A H45A 126.8 . . ?
N41A C45A H45A 126.8 . . ?
N41A C46A C54A 110.5(13) . . ?
N41A C46A H46A 109.5 . . ?
C54A C46A H46A 109.5 . . ?
N41A C46A H46B 109.5 . . ?
C54A C46A H46B 109.5 . . ?
H46A C46A H46B 108.1 . . ?
C56A C51A C52A 116.8(14) . . ?
C56A C51A C26A 121.5(13) . . ?
C52A C51A C26A 121.5(14) . . ?
C53A C52A C51A 119.4(15) . . ?
C53A C52A H52A 120.3 . . ?
C51A C52A H52A 120.3 . . ?
C54A C53A C52A 123.3(14) . . ?
C54A C53A H53A 118.3 . . ?
C52A C53A H53A 118.3 . . ?
C53A C54A C55A 117.9(15) . . ?
C53A C54A C46A 124.8(14) . . ?
C55A C54A C46A 117.3(14) . . ?
C56A C55A C54A 119.6(15) . . ?
C56A C55A H55A 120.2 . . ?
C54A C55A H55A 120.2 . . ?
C55A C56A C51A 122.6(14) . . ?
C55A C56A H56A 118.7 . . ?
C51A C56A H56A 118.7 . . ?
C12B N11B C16B 114.4(13) . . ?
C12B N11B Ru1 116.4(10) . . ?
C16B N11B Ru1 129.3(10) . . ?
C13B C12B N11B 120.7(16) . . ?
C13B C12B C23B 126.4(15) . . ?
N11B C12B C23B 112.7(14) . . ?
C12B C13B C14B 121.6(16) . . ?
C12B C13B H13B 119.2 . . ?
C14B C13B H13B 119.2 . . ?
C15B C14B C13B 119.1(17) . . ?
C15B C14B H14B 120.5 . . ?
C13B C14B H14B 120.5 . . ?
C16B C15B C14B 121.0(18) . . ?
C16B C15B H15B 119.5 . . ?
C14B C15B H15B 119.5 . . ?
C15B C16B N11B 122.9(15) . . ?
C15B C16B H16B 118.5 . . ?
N11B C16B H16B 118.5 . . ?
N22B N21B C25B 108.6(13) . . ?
N22B N21B C26B 123.1(12) . . ?
C25B N21B C26B 127.8(14) . . ?
C23B N22B N21B 106.6(12) . . ?
C23B N22B Ru1 115.7(10) . . ?
N21B N22B Ru1 137.6(10) . . ?
N22B C23B C24B 111.4(15) . . ?
N22B C23B C12B 117.6(14) . . ?
C24B C23B C12B 131.0(15) . . ?
C25B C24B C23B 104.1(15) . . ?
C25B C24B H24B 128.0 . . ?
C23B C24B H24B 128.0 . . ?
C24B C25B N21B 109.3(15) . . ?
C24B C25B H25B 125.4 . . ?
N21B C25B H25B 125.4 . . ?
N21B C26B C51B 114.3(14) . . ?
N21B C26B H26C 108.7 . . ?
C51B C26B H26C 108.7 . . ?
N21B C26B H26D 108.7 . . ?
C51B C26B H26D 108.7 . . ?
H26C C26B H26D 107.6 . . ?
C32B N31B C36B 120.5(15) . . ?
N31B C32B C33B 123.0(17) . . ?
N31B C32B C43B 117.6(15) . . ?
C33B C32B C43B 119.4(17) . . ?
C34B C33B C32B 117.4(17) . . ?
C34B C33B H33B 121.3 . . ?
C32B C33B H33B 121.3 . . ?
C35B C34B C33B 119.9(16) . . ?
C35B C34B H34B 120.1 . . ?
C33B C34B H34B 120.1 . . ?
C34B C35B C36B 120.4(17) . . ?
C34B C35B H35B 119.8 . . ?
C36B C35B H35B 119.8 . . ?
N31B C36B C35B 118.7(17) . . ?
N31B C36B H36B 120.6 . . ?
C35B C36B H36B 120.6 . . ?
N42B N41B C45B 110.1(13) . . ?
N42B N41B C46B 118.7(12) . . ?
C45B N41B C46B 131.0(14) . . ?
N41B N42B C43B 105.3(12) . . ?
N42B C43B C44B 110.3(16) . . ?
N42B C43B C32B 122.2(15) . . ?
C44B C43B C32B 127.5(17) . . ?
C45B C44B C43B 103.5(16) . . ?
C45B C44B H44B 128.3 . . ?
C43B C44B H44B 128.3 . . ?
C44B C45B N41B 110.8(15) . . ?
C44B C45B H45B 124.6 . . ?
N41B C45B H45B 124.6 . . ?
N41B C46B C54B 113.6(14) . . ?
N41B C46B H46C 108.9 . . ?
C54B C46B H46C 108.9 . . ?
N41B C46B H46D 108.9 . . ?
C54B C46B H46D 108.9 . . ?
H46C C46B H46D 107.7 . . ?
C52B C51B C56B 118.8(17) . . ?
C52B C51B C26B 122.8(16) . . ?
C56B C51B C26B 118.3(15) . . ?
C51B C52B C53B 120.7(17) . . ?
C51B C52B H52B 119.7 . . ?
C53B C52B H52B 119.7 . . ?
C52B C53B C54B 120.3(17) . . ?
C52B C53B H53B 119.8 . . ?
C54B C53B H53B 119.8 . . ?
C55B C54B C53B 118.8(17) . . ?
C55B C54B C46B 121.5(16) . . ?
C53B C54B C46B 119.7(16) . . ?
C54B C55B C56B 122.8(17) . . ?
C54B C55B H55B 118.6 . . ?
C56B C55B H55B 118.6 . . ?
C55B C56B C51B 118.5(16) . . ?
C55B C56B H56B 120.8 . . ?
C51B C56B H56B 120.8 . . ?
C12C N11C C16C 119.6(13) . . ?
C12C N11C Ru1 116.6(9) . . ?
C16C N11C Ru1 123.8(10) . . ?
N11C C12C C13C 122.1(14) . . ?
N11C C12C C23C 115.2(13) . . ?
C13C C12C C23C 122.8(15) . . ?
C12C C13C C14C 118.8(15) . . ?
C12C C13C H13C 120.6 . . ?
C14C C13C H13C 120.6 . . ?
C15C C14C C13C 118.9(14) . . ?
C15C C14C H14C 120.5 . . ?
C13C C14C H14C 120.5 . . ?
C14C C15C C16C 120.2(15) . . ?
C14C C15C H15C 119.9 . . ?
C16C C15C H15C 119.9 . . ?
N11C C16C C15C 120.3(15) . . ?
N11C C16C H16C 119.8 . . ?
C15C C16C H16C 119.8 . . ?
C25C N21C N22C 110.6(12) . . ?
C25C N21C C26C 128.7(13) . . ?
N22C N21C C26C 120.7(13) . . ?
N21C N22C C23C 103.4(12) . . ?
N21C N22C Ru1 140.2(9) . . ?
C23C N22C Ru1 116.4(10) . . ?
C24C C23C N22C 111.1(14) . . ?
C24C C23C C12C 134.0(15) . . ?
N22C C23C C12C 114.6(14) . . ?
C25C C24C C23C 106.1(15) . . ?
C25C C24C H24C 127.0 . . ?
C23C C24C H24C 127.0 . . ?
C24C C25C N21C 108.9(15) . . ?
C24C C25C H25C 125.6 . . ?
N21C C25C H25C 125.6 . . ?
N21C C26C C51C 113.1(14) . . ?
N21C C26C H26E 109.0 . . ?
C51C C26C H26E 109.0 . . ?
N21C C26C H26F 109.0 . . ?
C51C C26C H26F 109.0 . . ?
H26E C26C H26F 107.8 . . ?
C36C N31C C32C 118.6(18) . . ?
C33C C32C C43C 120(2) . . ?
C33C C32C N31C 119(2) . . ?
C43C C32C N31C 121.0(19) . . ?
C32C C33C C34C 119(2) . . ?
C32C C33C H33C 120.4 . . ?
C34C C33C H33C 120.4 . . ?
C35C C34C C33C 124(2) . . ?
C35C C34C H34C 118.0 . . ?
C33C C34C H34C 118.0 . . ?
C34C C35C C36C 119(2) . . ?
C34C C35C H35C 120.4 . . ?
C36C C35C H35C 120.4 . . ?
C35C C36C N31C 120(2) . . ?
C35C C36C H36C 120.1 . . ?
N31C C36C H36C 120.1 . . ?
C45C N41C N42C 112.3(16) . . ?
C45C N41C C46C 130.2(18) . . ?
N42C N41C C46C 117.4(17) . . ?
C43C N42C N41C 104.1(16) . . ?
N42C C43C C32C 121.5(19) . . ?
N42C C43C C44C 110.3(18) . . ?
C32C C43C C44C 128(2) . . ?
C45C C44C C43C 105(2) . . ?
C45C C44C H44C 127.3 . . ?
C43C C44C H44C 127.3 . . ?
C44C C45C N41C 108.0(18) . . ?
C44C C45C H45C 126.0 . . ?
N41C C45C H45C 126.0 . . ?
N41C C46C C54C 116.0(15) . . ?
N41C C46C H46E 108.3 . . ?
C54C C46C H46E 108.3 . . ?
N41C C46C H46F 108.3 . . ?
C54C C46C H46F 108.3 . . ?
H46E C46C H46F 107.4 . . ?
C52C C51C C56C 116.5(17) . . ?
C52C C51C C26C 125.7(18) . . ?
C56C C51C C26C 117.7(16) . . ?
C51C C52C C53C 124.3(19) . . ?
C51C C52C H52C 117.9 . . ?
C53C C52C H52C 117.9 . . ?
C52C C53C C54C 117.2(18) . . ?
C52C C53C H53C 121.4 . . ?
C54C C53C H53C 121.4 . . ?
C55C C54C C53C 118.9(17) . . ?
C55C C54C C46C 121.0(18) . . ?
C53C C54C C46C 120.1(17) . . ?
C56C C55C C54C 121.2(19) . . ?
C56C C55C H55C 119.4 . . ?
C54C C55C H55C 119.4 . . ?
C55C C56C C51C 121.8(18) . . ?
C55C C56C H56C 119.1 . . ?
C51C C56C H56C 119.1 . . ?
C2S C1S H1S1 109.5 . . ?
C2S C1S H1S2 109.5 . . ?
H1S1 C1S H1S2 109.5 . . ?
C2S C1S H1S3 109.5 . . ?
H1S1 C1S H1S3 109.5 . . ?
H1S2 C1S H1S3 109.5 . . ?
O1S C2S C3S 122(3) . . ?
O1S C2S C1S 118(3) . . ?
C3S C2S C1S 120(2) . . ?
C2S C3S H3S1 109.5 . . ?
C2S C3S H3S2 109.5 . . ?
H3S1 C3S H3S2 109.5 . . ?
C2S C3S H3S3 109.5 . . ?
H3S1 C3S H3S3 109.5 . . ?
H3S2 C3S H3S3 109.5 . . ?
F5 P1 F4 92.9(9) . . ?
F5 P1 F3 88.9(10) . . ?
F4 P1 F3 87.4(9) . . ?
F5 P1 F2 87.2(9) . . ?
F4 P1 F2 178.9(9) . . ?
F3 P1 F2 91.6(8) . . ?
F5 P1 F1 89.7(10) . . ?
F4 P1 F1 91.7(8) . . ?
F3 P1 F1 178.3(11) . . ?
F2 P1 F1 89.4(8) . . ?
F5 P1 F6 177.4(10) . . ?
F4 P1 F6 88.9(8) . . ?
F3 P1 F6 93.0(9) . . ?
F2 P1 F6 90.9(8) . . ?
F1 P1 F6 88.4(8) . . ?
F15 P2 F13 91.4(11) . . ?
F15 P2 F16 92.4(10) . . ?
F13 P2 F16 174.5(11) . . ?
F15 P2 F14 87.3(15) . . ?
F13 P2 F14 89.7(11) . . ?
F16 P2 F14 86.6(9) . . ?
F15 P2 F11 98.4(15) . . ?
F13 P2 F11 94.4(10) . . ?
F16 P2 F11 88.9(8) . . ?
F14 P2 F11 172.9(13) . . ?
F15 P2 F12 176.9(16) . . ?
F13 P2 F12 87.9(9) . . ?
F16 P2 F12 88.0(7) . . ?
F14 P2 F12 89.7(12) . . ?
F11 P2 F12 84.6(9) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N11B Ru1 N11A C16A -8.0(11) . . . . ?
N22C Ru1 N11A C16A -126(3) . . . . ?
N22A Ru1 N11A C16A 172.1(11) . . . . ?
N11C Ru1 N11A C16A -100.8(11) . . . . ?
N22B Ru1 N11A C16A 69.3(11) . . . . ?
N11B Ru1 N11A C12A 172.2(9) . . . . ?
N22C Ru1 N11A C12A 54(3) . . . . ?
N22A Ru1 N11A C12A -7.7(9) . . . . ?
N11C Ru1 N11A C12A 79.4(9) . . . . ?
N22B Ru1 N11A C12A -110.5(9) . . . . ?
C16A N11A C12A C13A 4.0(19) . . . . ?
Ru1 N11A C12A C13A -176.1(10) . . . . ?
C16A N11A C12A C23A -174.8(12) . . . . ?
Ru1 N11A C12A C23A 5.1(15) . . . . ?
N11A C12A C13A C14A -3(2) . . . . ?
C23A C12A C13A C14A 175.3(13) . . . . ?
C12A C13A C14A C15A 2(2) . . . . ?
C13A C14A C15A C16A -1(2) . . . . ?
C12A N11A C16A C15A -3(2) . . . . ?
Ru1 N11A C16A C15A 176.9(10) . . . . ?
C14A C15A C16A N11A 2(2) . . . . ?
C25A N21A N22A C23A -0.7(14) . . . . ?
C26A N21A N22A C23A 170.4(12) . . . . ?
C25A N21A N22A Ru1 -175.7(10) . . . . ?
C26A N21A N22A Ru1 -5(2) . . . . ?
N11B Ru1 N22A N21A -176(3) . . . . ?
N22C Ru1 N22A N21A 12.6(13) . . . . ?
N11A Ru1 N22A N21A -175.9(13) . . . . ?
N11C Ru1 N22A N21A 89.5(13) . . . . ?
N22B Ru1 N22A N21A -91.0(13) . . . . ?
N11B Ru1 N22A C23A 9(3) . . . . ?
N22C Ru1 N22A C23A -162.0(9) . . . . ?
N11A Ru1 N22A C23A 9.5(9) . . . . ?
N11C Ru1 N22A C23A -85.2(10) . . . . ?
N22B Ru1 N22A C23A 94.4(10) . . . . ?
N21A N22A C23A C24A 0.3(15) . . . . ?
Ru1 N22A C23A C24A 176.7(9) . . . . ?
N21A N22A C23A C12A 173.9(11) . . . . ?
Ru1 N22A C23A C12A -9.7(15) . . . . ?
N11A C12A C23A N22A 3.1(18) . . . . ?
C13A C12A C23A N22A -175.7(12) . . . . ?
N11A C12A C23A C24A 175.1(14) . . . . ?
C13A C12A C23A C24A -4(2) . . . . ?
N22A C23A C24A C25A 0.3(16) . . . . ?
C12A C23A C24A C25A -171.8(15) . . . . ?
C23A C24A C25A N21A -0.8(15) . . . . ?
N22A N21A C25A C24A 1.0(15) . . . . ?
C26A N21A C25A C24A -170.2(12) . . . . ?
N22A N21A C26A C51A -93.9(15) . . . . ?
C25A N21A C26A C51A 75.9(17) . . . . ?
C36A N31A C32A C33A 3(3) . . . . ?
C36A N31A C32A C43A 180.0(14) . . . . ?
N31A C32A C33A C34A -3(3) . . . . ?
C43A C32A C33A C34A 180.0(15) . . . . ?
C32A C33A C34A C35A 3(3) . . . . ?
C33A C34A C35A C36A -3(3) . . . . ?
C34A C35A C36A N31A 2(3) . . . . ?
C32A N31A C36A C35A -2(3) . . . . ?
C45A N41A N42A C43A -0.7(18) . . . . ?
C46A N41A N42A C43A 172.2(13) . . . . ?
N41A N42A C43A C44A 0.4(18) . . . . ?
N41A N42A C43A C32A -178.9(13) . . . . ?
N31A C32A C43A N42A 175.2(15) . . . . ?
C33A C32A C43A N42A -7(2) . . . . ?
N31A C32A C43A C44A -4(3) . . . . ?
C33A C32A C43A C44A 173.7(18) . . . . ?
N42A C43A C44A C45A 0(2) . . . . ?
C32A C43A C44A C45A 179.2(16) . . . . ?
C43A C44A C45A N41A -0.5(19) . . . . ?
N42A N41A C45A C44A 0.8(19) . . . . ?
C46A N41A C45A C44A -171.4(14) . . . . ?
N42A N41A C46A C54A -83.3(16) . . . . ?
C45A N41A C46A C54A 88(2) . . . . ?
N21A C26A C51A C56A 179.6(13) . . . . ?
N21A C26A C51A C52A 5(2) . . . . ?
C56A C51A C52A C53A 3(2) . . . . ?
C26A C51A C52A C53A 177.7(14) . . . . ?
C51A C52A C53A C54A 2(2) . . . . ?
C52A C53A C54A C55A -4(2) . . . . ?
C52A C53A C54A C46A 174.4(14) . . . . ?
N41A C46A C54A C53A 22(2) . . . . ?
N41A C46A C54A C55A -159.1(13) . . . . ?
C53A C54A C55A C56A 1(2) . . . . ?
C46A C54A C55A C56A -177.7(13) . . . . ?
C54A C55A C56A C51A 4(2) . . . . ?
C52A C51A C56A C55A -6(2) . . . . ?
C26A C51A C56A C55A 179.1(14) . . . . ?
N22C Ru1 N11B C12B -102.1(11) . . . . ?
N11A Ru1 N11B C12B 86.3(11) . . . . ?
N22A Ru1 N11B C12B 87(3) . . . . ?
N11C Ru1 N11B C12B -179.3(11) . . . . ?
N22B Ru1 N11B C12B -0.4(11) . . . . ?
N22C Ru1 N11B C16B 76.2(14) . . . . ?
N11A Ru1 N11B C16B -95.4(14) . . . . ?
N22A Ru1 N11B C16B -95(3) . . . . ?
N11C Ru1 N11B C16B -1.0(14) . . . . ?
N22B Ru1 N11B C16B 177.9(14) . . . . ?
C16B N11B C12B C13B 5(2) . . . . ?
Ru1 N11B C12B C13B -176.6(13) . . . . ?
C16B N11B C12B C23B 180.0(14) . . . . ?
Ru1 N11B C12B C23B -1.5(18) . . . . ?
N11B C12B C13B C14B -1(3) . . . . ?
C23B C12B C13B C14B -175.1(18) . . . . ?
C12B C13B C14B C15B -2(3) . . . . ?
C13B C14B C15B C16B 0(3) . . . . ?
C14B C15B C16B N11B 5(3) . . . . ?
C12B N11B C16B C15B -7(2) . . . . ?
Ru1 N11B C16B C15B 174.7(13) . . . . ?
C25B N21B N22B C23B -0.4(17) . . . . ?
C26B N21B N22B C23B 172.3(15) . . . . ?
C25B N21B N22B Ru1 -176.1(12) . . . . ?
C26B N21B N22B Ru1 -3(2) . . . . ?
N11B Ru1 N22B C23B 2.5(12) . . . . ?
N22C Ru1 N22B C23B 91.1(12) . . . . ?
N11A Ru1 N22B C23B -91.6(12) . . . . ?
N22A Ru1 N22B C23B -168.7(12) . . . . ?
N11C Ru1 N22B C23B 9(3) . . . . ?
N11B Ru1 N22B N21B 177.9(16) . . . . ?
N22C Ru1 N22B N21B -93.5(15) . . . . ?
N11A Ru1 N22B N21B 83.9(15) . . . . ?
N22A Ru1 N22B N21B 6.7(15) . . . . ?
N11C Ru1 N22B N21B -176(2) . . . . ?
N21B N22B C23B C24B 0.1(19) . . . . ?
Ru1 N22B C23B C24B 176.8(11) . . . . ?
N21B N22B C23B C12B 179.1(15) . . . . ?
Ru1 N22B C23B C12B -4(2) . . . . ?
C13B C12B C23B N22B 178.5(17) . . . . ?
N11B C12B C23B N22B 4(2) . . . . ?
C13B C12B C23B C24B -3(3) . . . . ?
N11B C12B C23B C24B -177.5(17) . . . . ?
N22B C23B C24B C25B 0(2) . . . . ?
C12B C23B C24B C25B -178.6(19) . . . . ?
C23B C24B C25B N21B 0(2) . . . . ?
N22B N21B C25B C24B 0.6(19) . . . . ?
C26B N21B C25B C24B -171.7(16) . . . . ?
N22B N21B C26B C51B -85.5(18) . . . . ?
C25B N21B C26B C51B 85.7(19) . . . . ?
C36B N31B C32B C33B 2(3) . . . . ?
C36B N31B C32B C43B -178.4(17) . . . . ?
N31B C32B C33B C34B -1(3) . . . . ?
C43B C32B C33B C34B 179.0(17) . . . . ?
C32B C33B C34B C35B 2(3) . . . . ?
C33B C34B C35B C36B -3(3) . . . . ?
C32B N31B C36B C35B -3(3) . . . . ?
C34B C35B C36B N31B 3(3) . . . . ?
C45B N41B N42B C43B -2(2) . . . . ?
C46B N41B N42B C43B -177.0(16) . . . . ?
N41B N42B C43B C44B 1(2) . . . . ?
N41B N42B C43B C32B -179.5(17) . . . . ?
N31B C32B C43B N42B 177.0(17) . . . . ?
C33B C32B C43B N42B -3(3) . . . . ?
N31B C32B C43B C44B -3(3) . . . . ?
C33B C32B C43B C44B 176.7(19) . . . . ?
N42B C43B C44B C45B 1(2) . . . . ?
C32B C43B C44B C45B -179.1(19) . . . . ?
C43B C44B C45B N41B -2(2) . . . . ?
N42B N41B C45B C44B 2(2) . . . . ?
C46B N41B C45B C44B 176.9(18) . . . . ?
N42B N41B C46B C54B 61(2) . . . . ?
C45B N41B C46B C54B -113(2) . . . . ?
N21B C26B C51B C52B -13(2) . . . . ?
N21B C26B C51B C56B 170.1(13) . . . . ?
C56B C51B C52B C53B -1(2) . . . . ?
C26B C51B C52B C53B -177.3(14) . . . . ?
C51B C52B C53B C54B 0(2) . . . . ?
C52B C53B C54B C55B -1(2) . . . . ?
C52B C53B C54B C46B -177.8(14) . . . . ?
N41B C46B C54B C55B 39(2) . . . . ?
N41B C46B C54B C53B -145.0(14) . . . . ?
C53B C54B C55B C56B 4(2) . . . . ?
C46B C54B C55B C56B -179.3(14) . . . . ?
C54B C55B C56B C51B -5(2) . . . . ?
C52B C51B C56B C55B 4(2) . . . . ?
C26B C51B C56B C55B -179.9(13) . . . . ?
N11B Ru1 N11C C12C 89.1(11) . . . . ?
N22C Ru1 N11C C12C -1.5(11) . . . . ?
N11A Ru1 N11C C12C -177.3(11) . . . . ?
N22A Ru1 N11C C12C -99.5(11) . . . . ?
N22B Ru1 N11C C12C 83(3) . . . . ?
N11B Ru1 N11C C16C -88.8(12) . . . . ?
N22C Ru1 N11C C16C -179.4(13) . . . . ?
N11A Ru1 N11C C16C 4.8(12) . . . . ?
N22A Ru1 N11C C16C 82.6(12) . . . . ?
N22B Ru1 N11C C16C -95(3) . . . . ?
C16C N11C C12C C13C -1(2) . . . . ?
Ru1 N11C C12C C13C -179.4(12) . . . . ?
C16C N11C C12C C23C 178.7(14) . . . . ?
Ru1 N11C C12C C23C 0.7(18) . . . . ?
N11C C12C C13C C14C 0(2) . . . . ?
C23C C12C C13C C14C 179.5(15) . . . . ?
C12C C13C C14C C15C 1(2) . . . . ?
C13C C14C C15C C16C 1(2) . . . . ?
C12C N11C C16C C15C 3(2) . . . . ?
Ru1 N11C C16C C15C -179.4(11) . . . . ?
C14C C15C C16C N11C -2(2) . . . . ?
C25C N21C N22C C23C 0.1(16) . . . . ?
C26C N21C N22C C23C -178.3(13) . . . . ?
C25C N21C N22C Ru1 177.3(12) . . . . ?
C26C N21C N22C Ru1 -1(2) . . . . ?
N11B Ru1 N22C N21C 92.8(15) . . . . ?
N11A Ru1 N22C N21C -149(2) . . . . ?
N22A Ru1 N22C N21C -88.6(14) . . . . ?
N11C Ru1 N22C N21C -174.9(15) . . . . ?
N22B Ru1 N22C N21C 15.3(15) . . . . ?
N11B Ru1 N22C C23C -90.3(11) . . . . ?
N11A Ru1 N22C C23C 28(3) . . . . ?
N22A Ru1 N22C C23C 88.3(11) . . . . ?
N11C Ru1 N22C C23C 2.0(10) . . . . ?
N22B Ru1 N22C C23C -167.8(11) . . . . ?
N21C N22C C23C C24C 1.0(17) . . . . ?
Ru1 N22C C23C C24C -177.0(11) . . . . ?
N21C N22C C23C C12C 175.6(13) . . . . ?
Ru1 N22C C23C C12C -2.3(18) . . . . ?
N11C C12C C23C C24C 174.1(17) . . . . ?
C13C C12C C23C C24C -6(3) . . . . ?
N11C C12C C23C N22C 1(2) . . . . ?
C13C C12C C23C N22C -178.8(14) . . . . ?
N22C C23C C24C C25C -1.7(19) . . . . ?
C12C C23C C24C C25C -175.0(18) . . . . ?
C23C C24C C25C N21C 1.7(18) . . . . ?
N22C N21C C25C C24C -1.2(18) . . . . ?
C26C N21C C25C C24C 177.1(15) . . . . ?
C25C N21C C26C C51C 93(2) . . . . ?
N22C N21C C26C C51C -88.8(18) . . . . ?
C36C N31C C32C C33C 1(3) . . . . ?
C36C N31C C32C C43C -179.3(18) . . . . ?
C43C C32C C33C C34C -178.1(18) . . . . ?
N31C C32C C33C C34C 2(3) . . . . ?
C32C C33C C34C C35C -5(3) . . . . ?
C33C C34C C35C C36C 5(3) . . . . ?
C34C C35C C36C N31C -2(3) . . . . ?
C32C N31C C36C C35C -1(3) . . . . ?
C45C N41C N42C C43C 1.5(19) . . . . ?
C46C N41C N42C C43C 179.0(15) . . . . ?
N41C N42C C43C C32C 179.8(16) . . . . ?
N41C N42C C43C C44C -0.3(19) . . . . ?
C33C C32C C43C N42C 26(3) . . . . ?
N31C C32C C43C N42C -153.6(19) . . . . ?
C33C C32C C43C C44C -154(2) . . . . ?
N31C C32C C43C C44C 26(3) . . . . ?
N42C C43C C44C C45C -1(2) . . . . ?
C32C C43C C44C C45C 178.9(18) . . . . ?
C43C C44C C45C N41C 2(2) . . . . ?
N42C N41C C45C C44C -2(2) . . . . ?
C46C N41C C45C C44C -179.3(18) . . . . ?
C45C N41C C46C C54C 83(3) . . . . ?
N42C N41C C46C C54C -94(2) . . . . ?
N21C C26C C51C C52C -5(3) . . . . ?
N21C C26C C51C C56C 175.6(16) . . . . ?
C56C C51C C52C C53C 1(3) . . . . ?
C26C C51C C52C C53C -178.4(18) . . . . ?
C51C C52C C53C C54C -1(3) . . . . ?
C52C C53C C54C C55C 0(3) . . . . ?
C52C C53C C54C C46C -177.9(17) . . . . ?
N41C C46C C54C C55C -89(2) . . . . ?
N41C C46C C54C C53C 89(2) . . . . ?
C53C C54C C55C C56C 0(3) . . . . ?
C46C C54C C55C C56C 178.2(17) . . . . ?
C54C C55C C56C C51C 0(3) . . . . ?
C52C C51C C56C C55C 0(3) . . . . ?
C26C C51C C56C C55C 178.8(17) . . . . ?

_diffrn_measured_fraction_theta_max 0.918
_diffrn_reflns_theta_full        21.97
_diffrn_measured_fraction_theta_full 0.918
_refine_diff_density_max         1.777
_refine_diff_density_min         -1.150
_refine_diff_density_rms         0.144
_database_code_depnum_ccdc_archive 'CCDC 1013864'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_p2n_sqd

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C288 H240 Ag6 N72 Ru4, 14(F6 P)'
_chemical_formula_sum            'C288 H240 Ag6 F84 N72 P14 Ru4'
_chemical_formula_weight         7790.59

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_H-M_alt        'P 2/n'
_space_group_name_Hall           '-P 2yac'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   24.688(3)
_cell_length_b                   30.324(4)
_cell_length_c                   25.247(3)
_cell_angle_alpha                90
_cell_angle_beta                 102.819(2)
_cell_angle_gamma                90
_cell_volume                     18430(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    32500
_cell_measurement_theta_min      2.3
_cell_measurement_theta_max      25.0

_exptl_crystal_description       Block
_exptl_crystal_colour            Yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.404
_exptl_crystal_F_000             7792
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    0.630
_shelx_estimated_absorpt_T_min   0.895
_shelx_estimated_absorpt_T_max   0.969
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.718
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100
_diffrn_source_power             2.5
_diffrn_source_voltage           45.0
_diffrn_source_current           55.0
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           'Mo K\a'
_diffrn_source                   'Rotating Anode'
_diffrn_radiation_monochromator  Confocal
_diffrn_measurement_specimen_support Mitegen
_diffrn_detector                 CCD
_diffrn_measurement_device       
;
AFC12 (Right): Kappa 3 circle
;
_diffrn_measurement_device_type  
;
Rigaku Saturn724+ (2x2 bin mode)
;
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_reflns_number            167655
_diffrn_reflns_av_unetI/netI     0.0348
_diffrn_reflns_av_R_equivalents  0.0646
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.269
_diffrn_reflns_theta_max         22.500
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.721
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.721
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.721
_reflns_number_total             24082
_reflns_number_gt                15979
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       
;
CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)
;
_computing_cell_refinement       
;
CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)
;
_computing_data_reduction        
;
CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)
;

_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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 > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger.

 The structure consists of a coordination cage complex cation with the formula 
 Ru4Ag6(C24H20N6)12 and 14 PF6 counter anions. Half of this is found in the
 asymmetric unit. All seven PF6 anions could be located from the data,
 although several of these needed weak DFIX restraints to fix the geometry.
 Weak global restraints were applied to all C,N,F and P atoms to achieve
 a more chemically reasonable model. All F atoms were left as isotropic,
 along with two of the P atoms.
 After the cage and anions were located, a large solvent accessible void
 remained, in which disorded solvent molecules resided. This region of 
 diffuse electron density was removed with the SQUEEZE command on PLATON.
 details are given below.

loop_
  _platon_squeeze_void_nr
  _platon_squeeze_void_average_x
  _platon_squeeze_void_average_y
  _platon_squeeze_void_average_z
  _platon_squeeze_void_volume
  _platon_squeeze_void_count_electrons
  _platon_squeeze_void_content
   1 -0.202  0.500  0.297      4621      1005 ' '
   2  0.250  0.244  0.250         7        13 ' '
   3  0.750  0.756  0.750         7        15 ' '
_platon_squeeze_details                           ?

;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         24082
_refine_ls_number_parameters     1560
_refine_ls_number_restraints     1746
_refine_ls_R_factor_all          0.1658
_refine_ls_R_factor_gt           0.1405
_refine_ls_wR_factor_ref         0.4293
_refine_ls_wR_factor_gt          0.4104
_refine_ls_goodness_of_fit_ref   1.618
_refine_ls_restrained_S_all      1.578
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.01158(4) 0.39023(3) 0.23682(4) 0.0907(4) Uani 1 1 d . . . . .
Ru2 Ru 0.25670(4) 0.10785(4) 0.49407(5) 0.1056(4) Uani 1 1 d . . . . .
Ag1 Ag -0.04020(6) 0.25644(6) 0.53558(6) 0.1554(6) Uani 1 1 d . . . . .
Ag2 Ag 0.2500 -0.11542(5) 0.2500 0.1225(6) Uani 1 2 d S T P . .
Ag3 Ag 0.2500 0.61465(5) 0.2500 0.1331(6) Uani 1 2 d S T P . .
Ag4 Ag 0.60023(6) 0.24823(3) 0.59156(6) 0.1314(5) Uani 1 1 d . . . . .
N11A N 0.0123(3) 0.4565(3) 0.2168(4) 0.1230(14) Uani 1 1 d G U . . .
C12A C 0.0276(4) 0.4651(3) 0.1681(3) 0.1235(13) Uani 1 1 d G U . . .
C13A C 0.0293(4) 0.5083(4) 0.1501(3) 0.1243(14) Uani 1 1 d G U . . .
H13A H 0.0398 0.5142 0.1168 0.149 Uiso 1 1 calc R U . . .
C14A C 0.0157(4) 0.5429(3) 0.1809(4) 0.1246(15) Uani 1 1 d G U . . .
H14A H 0.0169 0.5724 0.1686 0.150 Uiso 1 1 calc R U . . .
C15A C 0.0004(4) 0.5343(3) 0.2296(4) 0.1245(15) Uani 1 1 d G U . . .
H15A H -0.0088 0.5579 0.2507 0.149 Uiso 1 1 calc R U . . .
C16A C -0.0013(3) 0.4911(3) 0.2476(3) 0.1237(15) Uani 1 1 d G U . . .
H16A H -0.0117 0.4852 0.2809 0.148 Uiso 1 1 calc R U . . .
N21A N 0.0676(4) 0.3579(3) 0.1360(4) 0.1249(13) Uani 1 1 d G U . . .
N22A N 0.0465(4) 0.3890(3) 0.1684(3) 0.1236(13) Uani 1 1 d G U . . .
C23A C 0.0414(4) 0.4302(3) 0.1410(4) 0.1238(13) Uani 1 1 d G U . . .
C24A C 0.0594(4) 0.4246(3) 0.0917(4) 0.1246(14) Uani 1 1 d G U . . .
H24A H 0.0604 0.4468 0.0655 0.149 Uiso 1 1 calc R U . . .
C25A C 0.0755(4) 0.3799(4) 0.0887(3) 0.1249(14) Uani 1 1 d G U . . .
H25A H 0.0893 0.3669 0.0600 0.150 Uiso 1 1 calc R U . . .
C26A C 0.0717(6) 0.3147(5) 0.1519(6) 0.1258(14) Uani 1 1 d . U . . .
H26A H 0.0710 0.3130 0.1909 0.151 Uiso 1 1 calc R U . . .
H26B H 0.1079 0.3030 0.1477 0.151 Uiso 1 1 calc R U . . .
C31A C 0.0280(4) 0.2871(3) 0.1216(4) 0.1269(14) Uani 1 1 d G U . . .
C32A C -0.0201(4) 0.3030(3) 0.0874(4) 0.1275(15) Uani 1 1 d G U . . .
H32A H -0.0242 0.3338 0.0802 0.153 Uiso 1 1 calc R U . . .
C33A C -0.0621(3) 0.2740(3) 0.0637(4) 0.1278(16) Uani 1 1 d G U . . .
H33A H -0.0950 0.2849 0.0404 0.153 Uiso 1 1 calc R U . . .
C34A C -0.0561(4) 0.2291(3) 0.0743(4) 0.1277(16) Uani 1 1 d G U . . .
C35A C -0.0080(4) 0.2132(3) 0.1085(4) 0.1278(16) Uani 1 1 d G U . . .
H35A H -0.0039 0.1825 0.1157 0.153 Uiso 1 1 calc R U . . .
C36A C 0.0340(3) 0.2422(3) 0.1321(4) 0.1276(15) Uani 1 1 d G U . . .
H36A H 0.0669 0.2313 0.1555 0.153 Uiso 1 1 calc R U . . .
N41A N 0.5795(4) 0.1947(2) 0.6490(4) 0.1195(14) Uani 1 1 d G U . . .
C42A C 0.5568(4) 0.1561(3) 0.6238(3) 0.1196(13) Uani 1 1 d G U . . .
C43A C 0.5331(4) 0.1253(2) 0.6526(4) 0.1197(14) Uani 1 1 d G U . . .
H43A H 0.5175 0.0989 0.6353 0.144 Uiso 1 1 calc R U . . .
C44A C 0.5321(4) 0.1331(3) 0.7066(4) 0.1198(15) Uani 1 1 d G U . . .
H44A H 0.5159 0.1121 0.7263 0.144 Uiso 1 1 calc R U . . .
C45A C 0.5548(4) 0.1717(3) 0.7318(3) 0.1199(15) Uani 1 1 d G U . . .
H45A H 0.5541 0.1771 0.7687 0.144 Uiso 1 1 calc R U . . .
C46A C 0.5785(4) 0.2025(2) 0.7030(4) 0.1199(15) Uani 1 1 d G U . . .
H46A H 0.5941 0.2289 0.7203 0.144 Uiso 1 1 calc R U . . .
N51A N 0.5864(4) 0.1691(3) 0.4890(3) 0.1221(14) Uani 1 1 d G U . . .
N52A N 0.5838(4) 0.1843(2) 0.5416(4) 0.1211(14) Uani 1 1 d G U . . .
C53A C 0.5621(4) 0.1497(3) 0.5686(3) 0.1207(13) Uani 1 1 d G U . . .
C54A C 0.5513(4) 0.1131(2) 0.5328(4) 0.1216(14) Uani 1 1 d G U . . .
H54A H 0.5366 0.0854 0.5404 0.146 Uiso 1 1 calc R U . . .
C55A C 0.5663(4) 0.1251(3) 0.4836(4) 0.1223(14) Uani 1 1 d G U . . .
H55A H 0.5634 0.1068 0.4525 0.147 Uiso 1 1 calc R U . . .
C56A C 0.6018(6) 0.1946(5) 0.4531(7) 0.1225(16) Uani 1 1 d . U . . .
H56A H 0.6114 0.1759 0.4244 0.147 Uiso 1 1 calc R U . . .
H56B H 0.6358 0.2108 0.4711 0.147 Uiso 1 1 calc R U . . .
N11B N -0.0227(3) 0.4004(3) 0.3046(3) 0.1057(12) Uani 1 1 d G U . . .
C12B C 0.0139(2) 0.4162(3) 0.3507(3) 0.1055(11) Uani 1 1 d G U . . .
C13B C -0.0055(3) 0.4272(3) 0.3966(3) 0.1069(12) Uani 1 1 d G U . . .
H13B H 0.0195 0.4381 0.4281 0.128 Uiso 1 1 calc R U . . .
C14B C -0.0616(3) 0.4223(3) 0.3965(3) 0.1077(13) Uani 1 1 d G U . . .
H14B H -0.0748 0.4298 0.4279 0.129 Uiso 1 1 calc R U . . .
C15B C -0.0981(2) 0.4065(3) 0.3505(3) 0.1076(13) Uani 1 1 d G U . . .
H15B H -0.1364 0.4031 0.3504 0.129 Uiso 1 1 calc R U . . .
C16B C -0.0787(3) 0.3955(3) 0.3045(3) 0.1066(13) Uani 1 1 d G U . . .
H16B H -0.1037 0.3847 0.2731 0.128 Uiso 1 1 calc R U . . .
N21B N 0.0794(3) 0.4030(3) 0.2984(3) 0.1024(11) Uani 1 1 d G U . . .
N22B N 0.1380(3) 0.4041(3) 0.3047(3) 0.1021(10) Uani 1 1 d G U . . .
C23B C 0.1616(2) 0.4200(3) 0.3577(3) 0.1027(11) Uani 1 1 d G U . . .
H23B H 0.2001 0.4241 0.3728 0.123 Uiso 1 1 calc R U . . .
C24B C 0.1176(3) 0.4288(3) 0.3841(3) 0.1033(11) Uani 1 1 d G U . . .
H24B H 0.1215 0.4398 0.4200 0.124 Uiso 1 1 calc R U . . .
C25B C 0.0668(2) 0.4183(3) 0.3474(3) 0.1036(10) Uani 1 1 d G U . . .
C26B C 0.1659(5) 0.3941(4) 0.2627(5) 0.1019(10) Uani 1 1 d . U . . .
H26C H 0.1454 0.3704 0.2396 0.122 Uiso 1 1 calc R U . . .
H26D H 0.2035 0.3829 0.2791 0.122 Uiso 1 1 calc R U . . .
C31B C 0.1707(3) 0.4342(2) 0.2273(3) 0.1029(10) Uani 1 1 d G U . . .
C32B C 0.1643(3) 0.4771(3) 0.2441(3) 0.1036(11) Uani 1 1 d G U . . .
H32B H 0.1551 0.4824 0.2782 0.124 Uiso 1 1 calc R U . . .
C33B C 0.1714(3) 0.5124(2) 0.2111(3) 0.1048(11) Uani 1 1 d G U . . .
H33B H 0.1670 0.5418 0.2226 0.126 Uiso 1 1 calc R U . . .
C34B C 0.1848(3) 0.5047(2) 0.1613(3) 0.1056(11) Uani 1 1 d G U . . .
C35B C 0.1912(3) 0.4618(3) 0.1445(3) 0.1046(11) Uani 1 1 d G U . . .
H35B H 0.2004 0.4565 0.1104 0.126 Uiso 1 1 calc R U . . .
C36B C 0.1842(3) 0.4265(2) 0.1775(3) 0.1035(11) Uani 1 1 d G U . . .
H36B H 0.1886 0.3971 0.1659 0.124 Uiso 1 1 calc R U . . .
N41B N 0.3421(3) 0.6301(3) 0.2507(4) 0.1169(13) Uani 1 1 d G U . . .
C42B C 0.3645(3) 0.6122(3) 0.2097(3) 0.1159(12) Uani 1 1 d G U . . .
C43B C 0.4187(3) 0.6223(3) 0.2068(3) 0.1173(13) Uani 1 1 d G U . . .
H43B H 0.4341 0.6100 0.1788 0.141 Uiso 1 1 calc R U . . .
C44B C 0.4505(3) 0.6503(3) 0.2450(4) 0.1184(14) Uani 1 1 d G U . . .
H44B H 0.4875 0.6572 0.2431 0.142 Uiso 1 1 calc R U . . .
C45B C 0.4280(3) 0.6683(3) 0.2861(3) 0.1186(14) Uani 1 1 d G U . . .
H45B H 0.4497 0.6874 0.3122 0.142 Uiso 1 1 calc R U . . .
C46B C 0.3738(3) 0.6582(3) 0.2889(3) 0.1180(14) Uani 1 1 d G U . . .
H46B H 0.3585 0.6704 0.3170 0.142 Uiso 1 1 calc R U . . .
N51B N 0.2478(2) 0.5535(3) 0.1321(3) 0.1104(11) Uani 1 1 d G U . . .
N52B N 0.2735(3) 0.5827(3) 0.1742(3) 0.1119(11) Uani 1 1 d G U . . .
C53B C 0.3304(3) 0.5865(3) 0.1727(3) 0.1131(11) Uani 1 1 d G U . . .
C54B C 0.3400(3) 0.5596(3) 0.1296(4) 0.1123(12) Uani 1 1 d G U . . .
H54B H 0.3745 0.5559 0.1194 0.135 Uiso 1 1 calc R U . . .
C55B C 0.2890(3) 0.5393(3) 0.1045(3) 0.1112(12) Uani 1 1 d G U . . .
H55B H 0.2834 0.5196 0.0745 0.133 Uiso 1 1 calc R U . . .
C56B C 0.1915(5) 0.5432(5) 0.1236(5) 0.1084(11) Uani 1 1 d . U . . .
H56C H 0.1769 0.5347 0.0852 0.130 Uiso 1 1 calc R U . . .
H56D H 0.1704 0.5691 0.1317 0.130 Uiso 1 1 calc R U . . .
N11C N -0.0655(3) 0.3787(3) 0.1848(3) 0.1157(13) Uani 1 1 d G U . . .
C12C C -0.0866(3) 0.3362(3) 0.1856(3) 0.1156(12) Uani 1 1 d G U . . .
C13C C -0.1374(3) 0.3254(2) 0.1519(4) 0.1163(14) Uani 1 1 d G U . . .
H13C H -0.1518 0.2964 0.1524 0.140 Uiso 1 1 calc R U . . .
C14C C -0.1671(3) 0.3571(3) 0.1175(3) 0.1170(14) Uani 1 1 d G U . . .
H14C H -0.2019 0.3497 0.0945 0.140 Uiso 1 1 calc R U . . .
C15C C -0.1460(3) 0.3995(3) 0.1167(3) 0.1169(14) Uani 1 1 d G U . . .
H15C H -0.1664 0.4211 0.0932 0.140 Uiso 1 1 calc R U . . .
C16C C -0.0952(3) 0.4103(2) 0.1504(3) 0.1164(14) Uani 1 1 d G U . . .
H16C H -0.0808 0.4393 0.1499 0.140 Uiso 1 1 calc R U . . .
N21C N 0.0302(3) 0.2873(3) 0.2735(3) 0.1151(12) Uani 1 1 d G U . . .
N22C N 0.0004(3) 0.3236(2) 0.2458(3) 0.1149(12) Uani 1 1 d G U . . .
C23C C -0.0528(3) 0.3084(3) 0.2183(4) 0.1150(12) Uani 1 1 d G U . . .
C24C C -0.0559(3) 0.2626(3) 0.2290(4) 0.1152(13) Uani 1 1 d G U . . .
H24C H -0.0868 0.2439 0.2157 0.138 Uiso 1 1 calc R U . . .
C25C C -0.0046(4) 0.2495(2) 0.2631(4) 0.1153(13) Uani 1 1 d G U . . .
H25C H 0.0048 0.2206 0.2766 0.138 Uiso 1 1 calc R U . . .
C26C C 0.0804(5) 0.2932(5) 0.3113(5) 0.1153(12) Uani 1 1 d . U . . .
H26E H 0.1019 0.3164 0.2974 0.138 Uiso 1 1 calc R U . . .
H26F H 0.1020 0.2655 0.3134 0.138 Uiso 1 1 calc R U . . .
C31C C 0.0759(3) 0.3056(3) 0.3675(3) 0.1165(12) Uani 1 1 d G U . . .
C32C C 0.0272(3) 0.3028(3) 0.3863(3) 0.1175(12) Uani 1 1 d G U . . .
H32C H -0.0060 0.2924 0.3630 0.141 Uiso 1 1 calc R U . . .
C33C C 0.0270(3) 0.3152(4) 0.4393(3) 0.1188(12) Uani 1 1 d G U . . .
H33C H -0.0063 0.3132 0.4522 0.143 Uiso 1 1 calc R U . . .
C34C C 0.0755(4) 0.3304(4) 0.4734(3) 0.1200(12) Uani 1 1 d G U . . .
C35C C 0.1242(3) 0.3332(3) 0.4546(3) 0.1185(12) Uani 1 1 d G U . . .
H35C H 0.1574 0.3435 0.4779 0.142 Uiso 1 1 calc R U . . .
C36C C 0.1244(3) 0.3208(3) 0.4016(3) 0.1172(12) Uani 1 1 d G U . . .
H36C H 0.1577 0.3227 0.3888 0.141 Uiso 1 1 calc R U . . .
N41C N -0.0018(4) 0.2030(3) 0.5991(3) 0.1289(14) Uani 1 1 d G U . . .
C42C C 0.0534(4) 0.2086(3) 0.6258(4) 0.1284(13) Uani 1 1 d G U . . .
C43C C 0.0782(3) 0.1789(4) 0.6658(4) 0.1291(14) Uani 1 1 d G U . . .
H43C H 0.1159 0.1827 0.6841 0.155 Uiso 1 1 calc R U . . .
C44C C 0.0478(4) 0.1436(3) 0.6791(3) 0.1297(15) Uani 1 1 d G U . . .
H44C H 0.0647 0.1233 0.7065 0.156 Uiso 1 1 calc R U . . .
C45C C -0.0074(4) 0.1381(3) 0.6524(4) 0.1297(15) Uani 1 1 d G U . . .
H45C H -0.0282 0.1140 0.6615 0.156 Uiso 1 1 calc R U . . .
C46C C -0.0322(3) 0.1678(3) 0.6124(4) 0.1295(15) Uani 1 1 d G U . . .
H46C H -0.0699 0.1640 0.5941 0.155 Uiso 1 1 calc R U . . .
N51C N 0.0904(4) 0.3085(3) 0.5679(3) 0.1250(12) Uani 1 1 d G U . . .
N52C N 0.0512(3) 0.2760(3) 0.5749(4) 0.1260(13) Uani 1 1 d G U . . .
C53C C 0.0801(4) 0.2426(3) 0.6094(4) 0.1271(12) Uani 1 1 d G U . . .
C54C C 0.1371(4) 0.2545(3) 0.6237(4) 0.1266(13) Uani 1 1 d G U . . .
H54C H 0.1659 0.2381 0.6464 0.152 Uiso 1 1 calc R U . . .
C55C C 0.1435(3) 0.2952(3) 0.5981(4) 0.1259(13) Uani 1 1 d G U . . .
H55C H 0.1773 0.3109 0.6006 0.151 Uiso 1 1 calc R U . . .
C56C C 0.0737(6) 0.3445(5) 0.5329(5) 0.1231(12) Uani 1 1 d . U . . .
H56E H 0.0988 0.3698 0.5443 0.148 Uiso 1 1 calc R U . . .
H56F H 0.0355 0.3535 0.5344 0.148 Uiso 1 1 calc R U . . .
N11D N 0.3126(3) 0.1215(3) 0.5676(3) 0.1162(13) Uani 1 1 d G U . . .
C12D C 0.3143(3) 0.1649(3) 0.5855(3) 0.1161(12) Uani 1 1 d G U . . .
C13D C 0.3496(3) 0.1768(2) 0.6343(4) 0.1167(14) Uani 1 1 d G U . . .
H13D H 0.3507 0.2065 0.6465 0.140 Uiso 1 1 calc R U . . .
C14D C 0.3834(3) 0.1452(3) 0.6652(3) 0.1177(14) Uani 1 1 d G U . . .
H14D H 0.4076 0.1533 0.6985 0.141 Uiso 1 1 calc R U . . .
C15D C 0.3818(3) 0.1018(3) 0.6473(3) 0.1179(14) Uani 1 1 d G U . . .
H15D H 0.4048 0.0802 0.6684 0.141 Uiso 1 1 calc R U . . .
C16D C 0.3464(3) 0.0899(2) 0.5985(4) 0.1171(14) Uani 1 1 d G U . . .
H16D H 0.3453 0.0602 0.5863 0.141 Uiso 1 1 calc R U . . .
N21D N 0.2215(3) 0.2103(3) 0.4709(3) 0.1155(11) Uani 1 1 d G U . . .
N22D N 0.2507(3) 0.1749(2) 0.5014(3) 0.1150(12) Uani 1 1 d G U . . .
C23D C 0.2797(3) 0.1919(3) 0.5522(3) 0.1152(12) Uani 1 1 d G U . . .
C24D C 0.2683(4) 0.2378(3) 0.5532(3) 0.1152(13) Uani 1 1 d G U . . .
H24D H 0.2824 0.2574 0.5823 0.138 Uiso 1 1 calc R U . . .
C25D C 0.2324(4) 0.2492(2) 0.5030(4) 0.1154(13) Uani 1 1 d G U . . .
H25D H 0.2181 0.2777 0.4926 0.138 Uiso 1 1 calc R U . . .
C26D C 0.1846(5) 0.2044(5) 0.4206(6) 0.1162(12) Uani 1 1 d . U . . .
H26G H 0.1986 0.1803 0.4008 0.139 Uiso 1 1 calc R U . . .
H26H H 0.1838 0.2317 0.3989 0.139 Uiso 1 1 calc R U . . .
C31D C 0.1251(2) 0.1934(3) 0.4254(4) 0.1171(11) Uani 1 1 d G U . . .
C32D C 0.0881(3) 0.1796(3) 0.3785(3) 0.1176(12) Uani 1 1 d G U . . .
H32D H 0.1003 0.1763 0.3456 0.141 Uiso 1 1 calc R U . . .
C33D C 0.0331(3) 0.1706(3) 0.3797(3) 0.1183(12) Uani 1 1 d G U . . .
H33D H 0.0078 0.1612 0.3476 0.142 Uiso 1 1 calc R U . . .
C34D C 0.0152(2) 0.1754(3) 0.4278(4) 0.1191(12) Uani 1 1 d G U . . .
C35D C 0.0522(3) 0.1892(3) 0.4748(3) 0.1186(12) Uani 1 1 d G U . . .
H35D H 0.0400 0.1924 0.5076 0.142 Uiso 1 1 calc R U . . .
C36D C 0.1071(3) 0.1981(3) 0.4736(3) 0.1177(12) Uani 1 1 d G U . . .
H36D H 0.1324 0.2075 0.5056 0.141 Uiso 1 1 calc R U . . .
N41D N -0.1000(3) 0.3145(3) 0.4985(4) 0.1211(14) Uani 1 1 d G U . . .
C42D C -0.1285(4) 0.3092(3) 0.4448(4) 0.1208(13) Uani 1 1 d G U . . .
C43D C -0.1659(3) 0.3412(3) 0.4200(3) 0.1212(14) Uani 1 1 d G U . . .
H43D H -0.1854 0.3376 0.3834 0.145 Uiso 1 1 calc R U . . .
C44D C -0.1747(3) 0.3786(3) 0.4488(4) 0.1217(14) Uani 1 1 d G U . . .
H44D H -0.2002 0.4006 0.4319 0.146 Uiso 1 1 calc R U . . .
C45D C -0.1461(4) 0.3840(3) 0.5025(4) 0.1214(14) Uani 1 1 d G U . . .
H45D H -0.1521 0.4095 0.5221 0.146 Uiso 1 1 calc R U . . .
C46D C -0.1088(3) 0.3519(3) 0.5273(3) 0.1215(14) Uani 1 1 d G U . . .
H46D H -0.0893 0.3555 0.5639 0.146 Uiso 1 1 calc R U . . .
N51D N -0.0782(3) 0.2047(3) 0.4109(4) 0.1201(12) Uani 1 1 d G U . . .
N52D N -0.0836(3) 0.2383(3) 0.4485(3) 0.1203(12) Uani 1 1 d G U . . .
C53D C -0.1152(4) 0.2732(3) 0.4193(4) 0.1203(12) Uani 1 1 d G U . . .
C54D C -0.1293(4) 0.2611(3) 0.3636(4) 0.1204(13) Uani 1 1 d G U . . .
H54D H -0.1504 0.2783 0.3348 0.144 Uiso 1 1 calc R U . . .
C55D C -0.1065(4) 0.2187(3) 0.3584(3) 0.1203(13) Uani 1 1 d G U . . .
H55D H -0.1096 0.2026 0.3256 0.144 Uiso 1 1 calc R U . . .
C56D C -0.0471(5) 0.1691(5) 0.4297(6) 0.1205(12) Uani 1 1 d . U . . .
H56G H -0.0621 0.1430 0.4077 0.145 Uiso 1 1 calc R U . . .
H56H H -0.0497 0.1633 0.4677 0.145 Uiso 1 1 calc R U . . .
N11E N 0.2741(3) 0.0393(2) 0.4967(4) 0.1253(13) Uani 1 1 d G U . . .
C12E C 0.3218(3) 0.0262(3) 0.4803(4) 0.1247(13) Uani 1 1 d G U . . .
C13E C 0.3363(3) -0.0181(3) 0.4816(4) 0.1259(14) Uani 1 1 d G U . . .
H13E H 0.3689 -0.0270 0.4704 0.151 Uiso 1 1 calc R U . . .
C14E C 0.3032(4) -0.0494(2) 0.4994(4) 0.1268(14) Uani 1 1 d G U . . .
H14E H 0.3132 -0.0796 0.5004 0.152 Uiso 1 1 calc R U . . .
C15E C 0.2556(3) -0.0363(3) 0.5159(4) 0.1269(14) Uani 1 1 d G U . . .
H15E H 0.2329 -0.0576 0.5281 0.152 Uiso 1 1 calc R U . . .
C16E C 0.2410(3) 0.0081(3) 0.5145(4) 0.1261(14) Uani 1 1 d G U . . .
H16E H 0.2084 0.0170 0.5258 0.151 Uiso 1 1 calc R U . . .
N21E N 0.3562(3) 0.1317(2) 0.4338(4) 0.1217(12) Uani 1 1 d G U . . .
N22E N 0.3231(3) 0.1030(3) 0.4579(4) 0.1216(12) Uani 1 1 d G U . . .
C23E C 0.3489(4) 0.0609(3) 0.4638(4) 0.1233(12) Uani 1 1 d G U . . .
C24E C 0.3980(3) 0.0636(3) 0.4434(5) 0.1235(13) Uani 1 1 d G U . . .
H24E H 0.4234 0.0402 0.4424 0.148 Uiso 1 1 calc R U . . .
C25E C 0.4025(3) 0.1073(3) 0.4248(4) 0.1228(13) Uani 1 1 d G U . . .
H25E H 0.4314 0.1184 0.4092 0.147 Uiso 1 1 calc R U . . .
C26E C 0.3444(6) 0.1739(5) 0.4252(6) 0.1203(12) Uani 1 1 d . U . . .
H26I H 0.3040 0.1776 0.4221 0.144 Uiso 1 1 calc R U . . .
H26J H 0.3521 0.1819 0.3895 0.144 Uiso 1 1 calc R U . . .
C31E C 0.3755(4) 0.2081(3) 0.4685(3) 0.1182(12) Uani 1 1 d G U . . .
C32E C 0.3638(3) 0.2529(3) 0.4640(3) 0.1175(12) Uani 1 1 d G U . . .
H32E H 0.3387 0.2640 0.4327 0.141 Uiso 1 1 calc R U . . .
C33E C 0.3887(4) 0.2816(2) 0.5052(4) 0.1160(12) Uani 1 1 d G U . . .
H33E H 0.3807 0.3122 0.5021 0.139 Uiso 1 1 calc R U . . .
C34E C 0.4254(4) 0.2654(3) 0.5509(3) 0.1144(11) Uani 1 1 d G U . . .
C35E C 0.4372(3) 0.2206(3) 0.5555(3) 0.1157(12) Uani 1 1 d G U . . .
H35E H 0.4622 0.2095 0.5868 0.139 Uiso 1 1 calc R U . . .
C36E C 0.4122(4) 0.1919(2) 0.5143(4) 0.1171(12) Uani 1 1 d G U . . .
H36E H 0.4203 0.1612 0.5174 0.141 Uiso 1 1 calc R U . . .
N41E N 0.6536(3) 0.3052(2) 0.5719(3) 0.1086(12) Uani 1 1 d G U . . .
C42E C 0.6255(2) 0.3436(3) 0.5520(4) 0.1079(11) Uani 1 1 d G U . . .
C43E C 0.6528(3) 0.3766(2) 0.5300(4) 0.1074(12) Uani 1 1 d G U . . .
H43E H 0.6336 0.4028 0.5164 0.129 Uiso 1 1 calc R U . . .
C44E C 0.7082(3) 0.3712(2) 0.5279(4) 0.1076(13) Uani 1 1 d G U . . .
H44E H 0.7269 0.3938 0.5128 0.129 Uiso 1 1 calc R U . . .
C45E C 0.7363(2) 0.3329(3) 0.5477(4) 0.1083(13) Uani 1 1 d G U . . .
H45E H 0.7742 0.3292 0.5463 0.130 Uiso 1 1 calc R U . . .
C46E C 0.7090(3) 0.2999(2) 0.5697(4) 0.1087(13) Uani 1 1 d G U . . .
H46E H 0.7282 0.2736 0.5833 0.130 Uiso 1 1 calc R U . . .
N51E N 0.4923(3) 0.3256(2) 0.5809(4) 0.1102(11) Uani 1 1 d G U . . .
N52E N 0.5460(3) 0.3115(2) 0.5768(4) 0.1091(11) Uani 1 1 d G U . . .
C53E C 0.5726(3) 0.3472(3) 0.5566(4) 0.1086(11) Uani 1 1 d G U . . .
C54E C 0.5352(4) 0.3835(2) 0.5482(4) 0.1091(12) Uani 1 1 d G U . . .
H54E H 0.5422 0.4117 0.5349 0.131 Uiso 1 1 calc R U . . .
C55E C 0.4856(3) 0.3701(3) 0.5632(4) 0.1099(12) Uani 1 1 d G U . . .
H55E H 0.4535 0.3878 0.5617 0.132 Uiso 1 1 calc R U . . .
C56E C 0.4543(5) 0.2958(5) 0.5947(6) 0.1116(11) Uani 1 1 d . U . . .
H56I H 0.4256 0.3130 0.6077 0.134 Uiso 1 1 calc R U . . .
H56J H 0.4742 0.2777 0.6256 0.134 Uiso 1 1 calc R U . . .
N11F N 0.1898(3) 0.1010(3) 0.5310(4) 0.1222(14) Uani 1 1 d G U . . .
C12F C 0.1404(3) 0.0873(3) 0.4969(3) 0.1220(12) Uani 1 1 d G U . . .
C13F C 0.0935(3) 0.0804(3) 0.5178(4) 0.1233(13) Uani 1 1 d G U . . .
H13F H 0.0597 0.0711 0.4946 0.148 Uiso 1 1 calc R U . . .
C14F C 0.0960(3) 0.0872(3) 0.5728(4) 0.1240(14) Uani 1 1 d G U . . .
H14F H 0.0640 0.0824 0.5871 0.149 Uiso 1 1 calc R U . . .
C15F C 0.1454(4) 0.1008(3) 0.6068(3) 0.1238(14) Uani 1 1 d G U . . .
H15F H 0.1472 0.1054 0.6444 0.149 Uiso 1 1 calc R U . . .
C16F C 0.1923(3) 0.1077(3) 0.5859(3) 0.1230(14) Uani 1 1 d G U . . .
H16F H 0.2261 0.1170 0.6092 0.148 Uiso 1 1 calc R U . . .
N21F N 0.1839(3) 0.0903(3) 0.3723(3) 0.1199(12) Uani 1 1 d G U . . .
N22F N 0.1922(3) 0.0946(3) 0.4296(3) 0.1198(12) Uani 1 1 d G U . . .
C23F C 0.1428(4) 0.0809(3) 0.4448(3) 0.1208(12) Uani 1 1 d G U . . .
C24F C 0.1039(3) 0.0682(3) 0.3969(4) 0.1209(13) Uani 1 1 d G U . . .
H24F H 0.0673 0.0577 0.3952 0.145 Uiso 1 1 calc R U . . .
C25F C 0.1293(3) 0.0740(3) 0.3521(3) 0.1206(13) Uani 1 1 d G U . . .
H25F H 0.1126 0.0680 0.3152 0.145 Uiso 1 1 calc R U . . .
C26F C 0.2239(5) 0.1009(5) 0.3445(7) 0.1197(12) Uani 1 1 d . U . . .
H26K H 0.2479 0.1244 0.3644 0.144 Uiso 1 1 calc R U . . .
H26L H 0.2058 0.1127 0.3083 0.144 Uiso 1 1 calc R U . . .
C31F C 0.2604(3) 0.0610(3) 0.3371(4) 0.1196(12) Uani 1 1 d G U . . .
C32F C 0.3059(4) 0.0699(2) 0.3147(4) 0.1196(12) Uani 1 1 d G U . . .
H32F H 0.3127 0.0991 0.3043 0.144 Uiso 1 1 calc R U . . .
C33F C 0.3415(3) 0.0360(3) 0.3077(4) 0.1196(12) Uani 1 1 d G U . . .
H33F H 0.3726 0.0420 0.2924 0.144 Uiso 1 1 calc R U . . .
C34F C 0.3317(3) -0.0068(3) 0.3230(4) 0.1195(12) Uani 1 1 d G U . . .
C35F C 0.2862(4) -0.0157(2) 0.3453(4) 0.1197(12) Uani 1 1 d G U . . .
H35F H 0.2795 -0.0449 0.3558 0.144 Uiso 1 1 calc R U . . .
C36F C 0.2506(3) 0.0182(3) 0.3524(4) 0.1198(12) Uani 1 1 d G U . . .
H36F H 0.2195 0.0122 0.3676 0.144 Uiso 1 1 calc R U . . .
N41F N 0.2573(4) -0.1318(3) 0.1618(3) 0.1223(14) Uani 1 1 d G U . . .
C42F C 0.3021(3) -0.1127(3) 0.1454(4) 0.1216(13) Uani 1 1 d G U . . .
C43F C 0.3095(3) -0.1198(3) 0.0931(4) 0.1227(14) Uani 1 1 d G U . . .
H43F H 0.3401 -0.1067 0.0819 0.147 Uiso 1 1 calc R U . . .
C44F C 0.2721(4) -0.1459(3) 0.0571(3) 0.1236(14) Uani 1 1 d G U . . .
H44F H 0.2771 -0.1507 0.0213 0.148 Uiso 1 1 calc R U . . .
C45F C 0.2273(3) -0.1650(3) 0.0735(3) 0.1235(15) Uani 1 1 d G U . . .
H45F H 0.2018 -0.1828 0.0489 0.148 Uiso 1 1 calc R U . . .
C46F C 0.2199(3) -0.1580(3) 0.1258(4) 0.1230(14) Uani 1 1 d G U . . .
H46F H 0.1893 -0.1710 0.1370 0.148 Uiso 1 1 calc R U . . .
N51F N 0.3698(3) -0.0541(3) 0.2635(3) 0.1192(12) Uani 1 1 d G U . . .
N52F N 0.3285(3) -0.0829(3) 0.2341(4) 0.1192(12) Uani 1 1 d G U . . .
C53F C 0.3353(4) -0.0851(3) 0.1798(3) 0.1200(12) Uani 1 1 d G U . . .
C54F C 0.3807(4) -0.0576(3) 0.1756(3) 0.1198(13) Uani 1 1 d G U . . .
H54F H 0.3944 -0.0529 0.1437 0.144 Uiso 1 1 calc R U . . .
C55F C 0.4020(3) -0.0384(3) 0.2273(4) 0.1195(12) Uani 1 1 d G U . . .
H55F H 0.4325 -0.0186 0.2362 0.143 Uiso 1 1 calc R U . . .
C56F C 0.3723(6) -0.0451(5) 0.3175(6) 0.1194(12) Uani 1 1 d . U . . .
H56K H 0.4106 -0.0366 0.3355 0.143 Uiso 1 1 calc R U . . .
H56L H 0.3622 -0.0718 0.3357 0.143 Uiso 1 1 calc R U . . .
P1 P 0.2675(4) 0.3095(3) 0.3613(4) 0.213(3) Uiso 1 1 d . . . . .
F1 F 0.2864(6) 0.3213(5) 0.3078(5) 0.279(8) Uiso 1 1 d D . . . .
F2 F 0.2107(5) 0.2919(4) 0.3272(5) 0.243(6) Uiso 1 1 d D . . . .
F4 F 0.2921(6) 0.2584(4) 0.3545(6) 0.280(8) Uiso 1 1 d D . . . .
F3 F 0.3278(5) 0.3205(4) 0.3956(5) 0.242(6) Uiso 1 1 d D . . . .
F5 F 0.2463(6) 0.3539(4) 0.3687(6) 0.268(7) Uiso 1 1 d D . . . .
F6 F 0.2522(6) 0.2912(5) 0.4154(5) 0.267(7) Uiso 1 1 d D . . . .
P2 P 0.40046(15) 0.49572(12) 0.52633(15) 0.1090(11) Uani 1 1 d . . . . .
F21 F 0.3738(5) 0.4505(4) 0.4996(5) 0.173(4) Uiso 1 1 d . . . . .
F22 F 0.4069(3) 0.5112(3) 0.4698(3) 0.118(2) Uiso 1 1 d . . . . .
F23 F 0.4592(4) 0.4732(3) 0.5358(4) 0.138(3) Uiso 1 1 d . . . . .
F24 F 0.4288(3) 0.5393(3) 0.5509(3) 0.126(2) Uiso 1 1 d . . . . .
F25 F 0.3947(4) 0.4827(3) 0.5838(4) 0.152(3) Uiso 1 1 d . . . . .
F26 F 0.3407(4) 0.5190(3) 0.5156(4) 0.141(3) Uiso 1 1 d . . . . .
P3 P 0.97148(17) 0.00580(15) 0.0986(3) 0.151(2) Uani 1 1 d . . . . .
F31 F 0.9121(6) 0.0169(4) 0.1078(5) 0.201(5) Uiso 1 1 d . . . . .
F32 F 1.0003(7) 0.0490(6) 0.1239(7) 0.243(6) Uiso 1 1 d . . . . .
F33 F 0.9846(5) -0.0218(4) 0.1558(4) 0.166(3) Uiso 1 1 d . . . . .
F34 F 0.9616(5) 0.0257(4) 0.0397(5) 0.174(4) Uiso 1 1 d . . . . .
F35 F 0.9485(6) -0.0399(5) 0.0758(5) 0.199(5) Uiso 1 1 d . . . . .
F36 F 1.0284(4) -0.0134(3) 0.0915(4) 0.156(3) Uiso 1 1 d . . . . .
P4 P 0.5846(3) 0.0569(2) 0.9975(4) 0.200(3) Uani 1 1 d . . . . .
F41 F 0.6262(6) 0.0968(4) 1.0156(6) 0.250(7) Uiso 1 1 d D . . . .
F42 F 0.6255(6) 0.0273(5) 1.0446(5) 0.314(10) Uiso 1 1 d D . . . .
F43 F 0.5452(5) 0.0153(4) 0.9847(6) 0.271(7) Uiso 1 1 d D . . . .
F44 F 0.6188(5) 0.0411(4) 0.9569(5) 0.230(6) Uiso 1 1 d D . . . .
F45 F 0.5459(6) 0.0848(5) 0.9558(6) 0.338(11) Uiso 1 1 d D . . . .
F46 F 0.5530(6) 0.0708(5) 1.0436(6) 0.285(8) Uiso 1 1 d D . . . .
P5 P 0.1741(4) 0.4836(3) 0.5316(4) 0.225(3) Uiso 1 1 d . . . . .
F51 F 0.1500(6) 0.5097(5) 0.5752(5) 0.253(7) Uiso 1 1 d D . . . .
F52 F 0.1381(6) 0.4464(4) 0.5300(6) 0.300(9) Uiso 1 1 d D . . . .
F53 F 0.2220(6) 0.4643(5) 0.5797(6) 0.361(12) Uiso 1 1 d D . . . .
F54 F 0.2069(6) 0.4629(5) 0.4892(6) 0.263(7) Uiso 1 1 d D . . . .
F55 F 0.2181(5) 0.5273(4) 0.5340(6) 0.252(7) Uiso 1 1 d D . . . .
F56 F 0.1353(5) 0.5092(4) 0.4842(5) 0.252(7) Uiso 1 1 d D . . . .
P6 P 0.3651(5) 0.1809(3) 0.2646(4) 0.239(4) Uiso 1 1 d . . . . .
F64 F 0.3332(7) 0.1888(5) 0.2054(5) 0.264(7) Uiso 1 1 d D . . . .
F63 F 0.4221(6) 0.1901(7) 0.2490(8) 0.410(15) Uiso 1 1 d D . . . .
F65 F 0.3591(8) 0.2291(4) 0.2804(7) 0.314(10) Uiso 1 1 d D . . . .
F62 F 0.3717(8) 0.1290(4) 0.2498(7) 0.315(10) Uiso 1 1 d D . . . .
F61 F 0.3977(7) 0.1691(6) 0.3251(6) 0.301(9) Uiso 1 1 d D . . . .
F66 F 0.3088(6) 0.1683(6) 0.2812(7) 0.312(9) Uiso 1 1 d D . . . .
P7 P 0.7500 0.3400(3) 0.2500 0.148(2) Uani 1 2 d S T P . .
F71 F 0.7460(6) 0.3058(5) 0.2952(6) 0.199(5) Uiso 1 1 d . . . . .
F72 F 0.8153(6) 0.3413(5) 0.2657(6) 0.209(5) Uiso 1 1 d . . . . .
F73 F 0.7547(9) 0.3782(7) 0.2983(9) 0.285(8) Uiso 1 1 d . . . . .
P8 P 0.2500 0.1751(2) 0.7500 0.138(2) Uani 1 2 d S T P . .
F81 F 0.2331(6) 0.1749(5) 0.6858(5) 0.236(6) Uiso 1 1 d D . . . .
F83 F 0.2996(5) 0.2048(4) 0.7491(5) 0.211(5) Uiso 1 1 d D . . . .
F82 F 0.1957(6) 0.1430(5) 0.7483(8) 0.316(10) Uiso 1 1 d D . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 N21B 2.053(5) . ?
Ru1 N22C 2.058(7) . ?
Ru1 N11A 2.073(7) . ?
Ru1 N11C 2.087(5) . ?
Ru1 N11B 2.095(6) . ?
Ru1 N22A 2.096(7) . ?
Ru2 N22D 2.051(7) . ?
Ru2 N22F 2.049(6) . ?
Ru2 N22E 2.052(7) . ?
Ru2 N11F 2.080(7) . ?
Ru2 N11D 2.094(5) . ?
Ru2 N11E 2.120(7) . ?
Ag1 N52D 2.288(7) . ?
Ag1 N41C 2.328(7) . ?
Ag1 N52C 2.332(6) . ?
Ag1 N41D 2.354(7) . ?
Ag2 N52F 2.288(7) . ?
Ag2 N52F 2.288(12) 2 ?
Ag2 N41F 2.328(7) 2 ?
Ag2 N41F 2.328(7) . ?
Ag3 N41B 2.317(6) 2 ?
Ag3 N41B 2.317(6) . ?
Ag3 N52B 2.330(7) . ?
Ag3 N52B 2.330(12) 2 ?
Ag4 N41E 2.293(6) . ?
Ag4 N52A 2.299(7) . ?
Ag4 N41A 2.308(6) . ?
Ag4 N52E 2.321(6) . ?
N11A C12A 1.3900 . ?
N11A C16A 1.3900 . ?
C12A C23A 1.344(11) . ?
C12A C13A 1.3900 . ?
C13A C14A 1.3900 . ?
C13A H13A 0.9500 . ?
C14A C15A 1.3900 . ?
C14A H14A 0.9500 . ?
C15A C16A 1.3900 . ?
C15A H15A 0.9500 . ?
C16A H16A 0.9500 . ?
N21A C26A 1.367(16) . ?
N21A C25A 1.4200 . ?
N21A N22A 1.4200 . ?
N22A C23A 1.4200 . ?
C23A C24A 1.4200 . ?
C24A C25A 1.4200 . ?
C24A H24A 0.9500 . ?
C25A H25A 0.9500 . ?
C26A C31A 1.443(15) . ?
C26A H26A 0.9900 . ?
C26A H26B 0.9900 . ?
C31A C32A 1.3900 . ?
C31A C36A 1.3900 . ?
C32A C33A 1.3900 . ?
C32A H32A 0.9500 . ?
C33A C34A 1.3900 . ?
C33A H33A 0.9500 . ?
C34A C35A 1.3900 . ?
C34A C56A 1.582(15) 2 ?
C35A C36A 1.3900 . ?
C35A H35A 0.9500 . ?
C36A H36A 0.9500 . ?
N41A C42A 1.3900 . ?
N41A C46A 1.3900 . ?
C42A C43A 1.3900 . ?
C42A C53A 1.440(10) . ?
C43A C44A 1.3900 . ?
C43A H43A 0.9500 . ?
C44A C45A 1.3900 . ?
C44A H44A 0.9500 . ?
C45A C46A 1.3900 . ?
C45A H45A 0.9500 . ?
C46A H46A 0.9500 . ?
N51A C56A 1.312(15) . ?
N51A N52A 1.4200 . ?
N51A C55A 1.4200 . ?
N52A C53A 1.4200 . ?
C53A C54A 1.4200 . ?
C54A C55A 1.4200 . ?
C54A H54A 0.9500 . ?
C55A H55A 0.9500 . ?
C56A C34A 1.58(6) 2 ?
C56A H56A 0.9900 . ?
C56A H56B 0.9900 . ?
N11B C12B 1.3900 . ?
N11B C16B 1.3900 . ?
C12B C25B 1.329(8) . ?
C12B C13B 1.3900 . ?
C13B C14B 1.3900 . ?
C13B H13B 0.9500 . ?
C14B C15B 1.3900 . ?
C14B H14B 0.9500 . ?
C15B C16B 1.3900 . ?
C15B H15B 0.9500 . ?
C16B H16B 0.9500 . ?
N21B C25B 1.4200 . ?
N21B N22B 1.4200 . ?
N22B C23B 1.4200 . ?
N22B C26B 1.419(14) . ?
C23B C24B 1.4200 . ?
C23B H23B 0.9500 . ?
C24B C25B 1.4200 . ?
C24B H24B 0.9500 . ?
C26B C31B 1.529(14) . ?
C26B H26C 0.9900 . ?
C26B H26D 0.9900 . ?
C31B C32B 1.3900 . ?
C31B C36B 1.3900 . ?
C32B C33B 1.3900 . ?
C32B H32B 0.9500 . ?
C33B C34B 1.3900 . ?
C33B H33B 0.9500 . ?
C34B C35B 1.3900 . ?
C34B C56B 1.537(14) . ?
C35B C36B 1.3900 . ?
C35B H35B 0.9500 . ?
C36B H36B 0.9500 . ?
N41B C42B 1.3900 . ?
N41B C46B 1.3900 . ?
C42B C53B 1.357(8) . ?
C42B C43B 1.3900 . ?
C43B C44B 1.3900 . ?
C43B H43B 0.9500 . ?
C44B C45B 1.3900 . ?
C44B H44B 0.9500 . ?
C45B C46B 1.3900 . ?
C45B H45B 0.9500 . ?
C46B H46B 0.9500 . ?
N51B C56B 1.395(13) . ?
N51B N52B 1.4200 . ?
N51B C55B 1.4200 . ?
N52B C53B 1.4200 . ?
C53B C54B 1.4200 . ?
C54B C55B 1.4200 . ?
C54B H54B 0.9500 . ?
C55B H55B 0.9500 . ?
C56B H56C 0.9900 . ?
C56B H56D 0.9900 . ?
N11C C12C 1.3900 . ?
N11C C16C 1.3900 . ?
C12C C23C 1.337(9) . ?
C12C C13C 1.3900 . ?
C13C C14C 1.3900 . ?
C13C H13C 0.9500 . ?
C14C C15C 1.3900 . ?
C14C H14C 0.9500 . ?
C15C C16C 1.3900 . ?
C15C H15C 0.9500 . ?
C16C H16C 0.9500 . ?
N21C C26C 1.398(13) . ?
N21C C25C 1.4200 . ?
N21C N22C 1.4200 . ?
N22C C23C 1.4200 . ?
C23C C24C 1.4200 . ?
C24C C25C 1.4200 . ?
C24C H24C 0.9500 . ?
C25C H25C 0.9500 . ?
C26C C31C 1.497(15) . ?
C26C H26E 0.9900 . ?
C26C H26F 0.9900 . ?
C31C C32C 1.3900 . ?
C31C C36C 1.3900 . ?
C32C C33C 1.3900 . ?
C32C H32C 0.9500 . ?
C33C C34C 1.3900 . ?
C33C H33C 0.9500 . ?
C34C C35C 1.3900 . ?
C34C C56C 1.572(15) . ?
C35C C36C 1.3900 . ?
C35C H35C 0.9500 . ?
C36C H36C 0.9500 . ?
N41C C42C 1.3900 . ?
N41C C46C 1.3900 . ?
C42C C53C 1.338(10) . ?
C42C C43C 1.3900 . ?
C43C C44C 1.3900 . ?
C43C H43C 0.9500 . ?
C44C C45C 1.3900 . ?
C44C H44C 0.9500 . ?
C45C C46C 1.3900 . ?
C45C H45C 0.9500 . ?
C46C H46C 0.9500 . ?
N51C C56C 1.406(17) . ?
N51C N52C 1.4200 . ?
N51C C55C 1.4200 . ?
N52C C53C 1.4200 . ?
C53C C54C 1.4200 . ?
C54C C55C 1.4200 . ?
C54C H54C 0.9500 . ?
C55C H55C 0.9500 . ?
C56C H56E 0.9900 . ?
C56C H56F 0.9900 . ?
N11D C12D 1.3900 . ?
N11D C16D 1.3900 . ?
C12D C23D 1.336(9) . ?
C12D C13D 1.3900 . ?
C13D C14D 1.3900 . ?
C13D H13D 0.9500 . ?
C14D C15D 1.3900 . ?
C14D H14D 0.9500 . ?
C15D C16D 1.3900 . ?
C15D H15D 0.9500 . ?
C16D H16D 0.9500 . ?
N21D C26D 1.400(13) . ?
N21D N22D 1.4200 . ?
N21D C25D 1.4200 . ?
N22D C23D 1.4200 . ?
C23D C24D 1.4200 . ?
C24D C25D 1.4200 . ?
C24D H24D 0.9500 . ?
C25D H25D 0.9500 . ?
C26D C31D 1.539(14) . ?
C26D H26G 0.9900 . ?
C26D H26H 0.9900 . ?
C31D C32D 1.3900 . ?
C31D C36D 1.3900 . ?
C32D C33D 1.3900 . ?
C32D H32D 0.9500 . ?
C33D C34D 1.3900 . ?
C33D H33D 0.9500 . ?
C34D C35D 1.3900 . ?
C34D C56D 1.562(14) . ?
C35D C36D 1.3900 . ?
C35D H35D 0.9500 . ?
C36D H36D 0.9500 . ?
N41D C42D 1.3900 . ?
N41D C46D 1.3900 . ?
C42D C53D 1.346(9) . ?
C42D C43D 1.3900 . ?
C43D C44D 1.3900 . ?
C43D H43D 0.9500 . ?
C44D C45D 1.3900 . ?
C44D H44D 0.9500 . ?
C45D C46D 1.3900 . ?
C45D H45D 0.9500 . ?
C46D H46D 0.9500 . ?
N51D C56D 1.349(16) . ?
N51D C55D 1.4200 . ?
N51D N52D 1.4200 . ?
N52D C53D 1.4200 . ?
C53D C54D 1.4200 . ?
C54D C55D 1.4200 . ?
C54D H54D 0.9500 . ?
C55D H55D 0.9500 . ?
C56D H56G 0.9900 . ?
C56D H56H 0.9900 . ?
N11E C12E 1.3900 . ?
N11E C16E 1.3900 . ?
C12E C23E 1.360(11) . ?
C12E C13E 1.3900 . ?
C13E C14E 1.3900 . ?
C13E H13E 0.9500 . ?
C14E C15E 1.3900 . ?
C14E H14E 0.9500 . ?
C15E C16E 1.3900 . ?
C15E H15E 0.9500 . ?
C16E H16E 0.9500 . ?
N21E C26E 1.320(15) . ?
N21E C25E 1.4200 . ?
N21E N22E 1.4200 . ?
N22E C23E 1.4200 . ?
C23E C24E 1.4200 . ?
C24E C25E 1.4200 . ?
C24E H24E 0.9500 . ?
C25E H25E 0.9500 . ?
C26E C31E 1.579(15) . ?
C26E H26I 0.9900 . ?
C26E H26J 0.9900 . ?
C31E C32E 1.3900 . ?
C31E C36E 1.3900 . ?
C32E C33E 1.3900 . ?
C32E H32E 0.9500 . ?
C33E C34E 1.3900 . ?
C33E H33E 0.9500 . ?
C34E C35E 1.3900 . ?
C34E C56E 1.494(15) . ?
C35E C36E 1.3900 . ?
C35E H35E 0.9500 . ?
C36E H36E 0.9500 . ?
N41E C42E 1.3900 . ?
N41E C46E 1.3900 . ?
C42E C53E 1.343(8) . ?
C42E C43E 1.3900 . ?
C43E C44E 1.3900 . ?
C43E H43E 0.9500 . ?
C44E C45E 1.3900 . ?
C44E H44E 0.9500 . ?
C45E C46E 1.3900 . ?
C45E H45E 0.9500 . ?
C46E H46E 0.9500 . ?
N51E C56E 1.400(14) . ?
N51E C55E 1.4200 . ?
N51E N52E 1.4200 . ?
N52E C53E 1.4200 . ?
C53E C54E 1.4200 . ?
C54E C55E 1.4200 . ?
C54E H54E 0.9500 . ?
C55E H55E 0.9500 . ?
C56E H56I 0.9900 . ?
C56E H56J 0.9900 . ?
N11F C12F 1.3900 . ?
N11F C16F 1.3900 . ?
C12F C23F 1.346(10) . ?
C12F C13F 1.3900 . ?
C13F C14F 1.3900 . ?
C13F H13F 0.9500 . ?
C14F C15F 1.3900 . ?
C14F H14F 0.9500 . ?
C15F C16F 1.3900 . ?
C15F H15F 0.9500 . ?
C16F H16F 0.9500 . ?
N21F C26F 1.372(17) . ?
N21F N22F 1.4200 . ?
N21F C25F 1.4200 . ?
N22F C23F 1.4200 . ?
C23F C24F 1.4200 . ?
C24F C25F 1.4200 . ?
C24F H24F 0.9500 . ?
C25F H25F 0.9500 . ?
C26F C31F 1.545(14) . ?
C26F H26K 0.9900 . ?
C26F H26L 0.9900 . ?
C31F C32F 1.3900 . ?
C31F C36F 1.3900 . ?
C32F C33F 1.3900 . ?
C32F H32F 0.9500 . ?
C33F C34F 1.3900 . ?
C33F H33F 0.9500 . ?
C34F C35F 1.3900 . ?
C34F C56F 1.558(14) . ?
C35F C36F 1.3900 . ?
C35F H35F 0.9500 . ?
C36F H36F 0.9500 . ?
N41F C42F 1.3900 . ?
N41F C46F 1.3900 . ?
C42F C53F 1.346(8) . ?
C42F C43F 1.3900 . ?
C43F C44F 1.3900 . ?
C43F H43F 0.9500 . ?
C44F C45F 1.3900 . ?
C44F H44F 0.9500 . ?
C45F C46F 1.3900 . ?
C45F H45F 0.9500 . ?
C46F H46F 0.9500 . ?
N51F C56F 1.378(16) . ?
N51F N52F 1.4200 . ?
N51F C55F 1.4200 . ?
N52F C53F 1.4200 . ?
C53F C54F 1.4200 . ?
C54F C55F 1.4200 . ?
C54F H54F 0.9500 . ?
C55F H55F 0.9500 . ?
C56F H56K 0.9900 . ?
C56F H56L 0.9900 . ?
P1 F5 1.471(12) . ?
P1 F2 1.569(12) . ?
P1 F1 1.565(13) . ?
P1 F3 1.583(13) . ?
P1 F6 1.596(13) . ?
P1 F4 1.687(13) . ?
P2 F25 1.540(10) . ?
P2 F22 1.543(8) . ?
P2 F24 1.558(9) . ?
P2 F23 1.571(10) . ?
P2 F26 1.602(10) . ?
P2 F21 1.605(12) . ?
P3 F35 1.557(14) . ?
P3 F32 1.559(18) . ?
P3 F36 1.568(11) . ?
P3 F31 1.571(15) . ?
P3 F34 1.572(12) . ?
P3 F33 1.638(12) . ?
P4 F45 1.514(13) . ?
P4 F44 1.540(12) . ?
P4 F43 1.581(12) . ?
P4 F46 1.597(13) . ?
P4 F41 1.589(12) . ?
P4 F42 1.645(13) . ?
P5 F52 1.432(14) . ?
P5 F56 1.563(13) . ?
P5 F51 1.575(13) . ?
P5 F53 1.606(14) . ?
P5 F54 1.607(13) . ?
P5 F55 1.705(13) . ?
P6 F64 1.545(14) . ?
P6 F65 1.533(15) . ?
P6 F63 1.568(16) . ?
P6 F66 1.585(15) . ?
P6 F61 1.601(15) . ?
P6 F62 1.634(15) . ?
P7 F72 1.572(15) . ?
P7 F72 1.572(15) 2_655 ?
P7 F71 1.562(14) 2_655 ?
P7 F71 1.562(14) . ?
P7 F73 1.67(2) . ?
P7 F73 1.67(2) 2_655 ?
P8 F83 1.524(12) . ?
P8 F83 1.524(12) 2_556 ?
P8 F81 1.581(12) 2_556 ?
P8 F81 1.581(12) . ?
P8 F82 1.649(13) 2_556 ?
P8 F82 1.649(14) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N21B Ru1 N22C 102.0(3) . . ?
N21B Ru1 N11A 87.2(3) . . ?
N22C Ru1 N11A 170.7(3) . . ?
N21B Ru1 N11C 169.8(3) . . ?
N22C Ru1 N11C 77.2(3) . . ?
N11A Ru1 N11C 93.8(3) . . ?
N21B Ru1 N11B 76.3(3) . . ?
N22C Ru1 N11B 88.0(4) . . ?
N11A Ru1 N11B 94.8(4) . . ?
N11C Ru1 N11B 93.5(3) . . ?
N21B Ru1 N22A 102.2(3) . . ?
N22C Ru1 N22A 99.4(4) . . ?
N11A Ru1 N22A 77.8(4) . . ?
N11C Ru1 N22A 87.8(3) . . ?
N11B Ru1 N22A 172.5(4) . . ?
N22D Ru2 N22F 102.0(3) . . ?
N22D Ru2 N22E 101.1(4) . . ?
N22F Ru2 N22E 100.8(4) . . ?
N22D Ru2 N11F 88.8(4) . . ?
N22F Ru2 N11F 77.4(4) . . ?
N22E Ru2 N11F 170.1(4) . . ?
N22D Ru2 N11D 76.7(3) . . ?
N22F Ru2 N11D 170.6(4) . . ?
N22E Ru2 N11D 88.5(3) . . ?
N11F Ru2 N11D 93.2(3) . . ?
N22D Ru2 N11E 170.9(3) . . ?
N22F Ru2 N11E 87.1(3) . . ?
N22E Ru2 N11E 76.5(4) . . ?
N11F Ru2 N11E 93.6(4) . . ?
N11D Ru2 N11E 94.4(3) . . ?
N52D Ag1 N41C 121.8(3) . . ?
N52D Ag1 N52C 132.3(3) . . ?
N41C Ag1 N52C 71.1(3) . . ?
N52D Ag1 N41D 71.3(3) . . ?
N41C Ag1 N41D 156.7(3) . . ?
N52C Ag1 N41D 116.2(3) . . ?
N52F Ag2 N52F 129.0(9) . 2 ?
N52F Ag2 N41F 120.5(3) . 2 ?
N52F Ag2 N41F 71.1(7) 2 2 ?
N52F Ag2 N41F 71.1(3) . . ?
N52F Ag2 N41F 120.5(8) 2 . ?
N41F Ag2 N41F 155.3(4) 2 . ?
N41B Ag3 N41B 156.6(4) 2 . ?
N41B Ag3 N52B 120.0(3) 2 . ?
N41B Ag3 N52B 70.7(3) . . ?
N41B Ag3 N52B 70.7(7) 2 2 ?
N41B Ag3 N52B 120.0(7) . 2 ?
N52B Ag3 N52B 130.8(10) . 2 ?
N41E Ag4 N52A 123.8(3) . . ?
N41E Ag4 N41A 152.1(3) . . ?
N52A Ag4 N41A 73.4(3) . . ?
N41E Ag4 N52E 71.4(3) . . ?
N52A Ag4 N52E 125.7(3) . . ?
N41A Ag4 N52E 118.8(3) . . ?
C12A N11A C16A 120.0 . . ?
C12A N11A Ru1 114.6(6) . . ?
C16A N11A Ru1 125.4(6) . . ?
C23A C12A C13A 123.1(8) . . ?
C23A C12A N11A 116.9(8) . . ?
C13A C12A N11A 120.0 . . ?
C12A C13A C14A 120.0 . . ?
C12A C13A H13A 120.0 . . ?
C14A C13A H13A 120.0 . . ?
C15A C14A C13A 120.0 . . ?
C15A C14A H14A 120.0 . . ?
C13A C14A H14A 120.0 . . ?
C14A C15A C16A 120.0 . . ?
C14A C15A H15A 120.0 . . ?
C16A C15A H15A 120.0 . . ?
C15A C16A N11A 120.0 . . ?
C15A C16A H16A 120.0 . . ?
N11A C16A H16A 120.0 . . ?
C26A N21A C25A 132.9(10) . . ?
C26A N21A N22A 118.8(10) . . ?
C25A N21A N22A 108.0 . . ?
C23A N22A N21A 108.0 . . ?
C23A N22A Ru1 112.2(6) . . ?
N21A N22A Ru1 139.1(6) . . ?
C12A C23A N22A 116.7(9) . . ?
C12A C23A C24A 134.8(9) . . ?
N22A C23A C24A 108.0 . . ?
C23A C24A C25A 108.0 . . ?
C23A C24A H24A 126.0 . . ?
C25A C24A H24A 126.0 . . ?
N21A C25A C24A 108.0 . . ?
N21A C25A H25A 126.0 . . ?
C24A C25A H25A 126.0 . . ?
N21A C26A C31A 113.7(11) . . ?
N21A C26A H26A 108.8 . . ?
C31A C26A H26A 108.8 . . ?
N21A C26A H26B 108.8 . . ?
C31A C26A H26B 108.8 . . ?
H26A C26A H26B 107.7 . . ?
C32A C31A C36A 120.0 . . ?
C32A C31A C26A 124.2(9) . . ?
C36A C31A C26A 115.5(9) . . ?
C33A C32A C31A 120.0 . . ?
C33A C32A H32A 120.0 . . ?
C31A C32A H32A 120.0 . . ?
C34A C33A C32A 120.0 . . ?
C34A C33A H33A 120.0 . . ?
C32A C33A H33A 120.0 . . ?
C35A C34A C33A 120.0 . . ?
C35A C34A C56A 118.0(9) . 2 ?
C33A C34A C56A 122.0(9) . 2 ?
C36A C35A C34A 120.0 . . ?
C36A C35A H35A 120.0 . . ?
C34A C35A H35A 120.0 . . ?
C35A C36A C31A 120.0 . . ?
C35A C36A H36A 120.0 . . ?
C31A C36A H36A 120.0 . . ?
C42A N41A C46A 120.0 . . ?
C42A N41A Ag4 115.3(5) . . ?
C46A N41A Ag4 123.5(5) . . ?
N41A C42A C43A 120.0 . . ?
N41A C42A C53A 116.3(7) . . ?
C43A C42A C53A 123.6(7) . . ?
C44A C43A C42A 120.0 . . ?
C44A C43A H43A 120.0 . . ?
C42A C43A H43A 120.0 . . ?
C43A C44A C45A 120.0 . . ?
C43A C44A H44A 120.0 . . ?
C45A C44A H44A 120.0 . . ?
C46A C45A C44A 120.0 . . ?
C46A C45A H45A 120.0 . . ?
C44A C45A H45A 120.0 . . ?
C45A C46A N41A 120.0 . . ?
C45A C46A H46A 120.0 . . ?
N41A C46A H46A 120.0 . . ?
C56A N51A N52A 122.4(10) . . ?
C56A N51A C55A 129.5(10) . . ?
N52A N51A C55A 108.0 . . ?
C53A N52A N51A 108.0 . . ?
C53A N52A Ag4 113.6(5) . . ?
N51A N52A Ag4 138.3(5) . . ?
N52A C53A C54A 108.0 . . ?
N52A C53A C42A 119.3(7) . . ?
C54A C53A C42A 132.7(7) . . ?
C53A C54A C55A 108.0 . . ?
C53A C54A H54A 126.0 . . ?
C55A C54A H54A 126.0 . . ?
N51A C55A C54A 108.0 . . ?
N51A C55A H55A 126.0 . . ?
C54A C55A H55A 126.0 . . ?
N51A C56A C34A 114(3) . 2 ?
N51A C56A H56A 108.8 . . ?
C34A C56A H56A 108.8 2 . ?
N51A C56A H56B 108.8 . . ?
C34A C56A H56B 108.8 2 . ?
H56A C56A H56B 107.7 . . ?
C12B N11B C16B 120.0 . . ?
C12B N11B Ru1 115.4(4) . . ?
C16B N11B Ru1 124.4(4) . . ?
C25B C12B C13B 124.5(6) . . ?
C25B C12B N11B 115.5(6) . . ?
C13B C12B N11B 120.0 . . ?
C12B C13B C14B 120.0 . . ?
C12B C13B H13B 120.0 . . ?
C14B C13B H13B 120.0 . . ?
C15B C14B C13B 120.0 . . ?
C15B C14B H14B 120.0 . . ?
C13B C14B H14B 120.0 . . ?
C14B C15B C16B 120.0 . . ?
C14B C15B H15B 120.0 . . ?
C16B C15B H15B 120.0 . . ?
C15B C16B N11B 120.0 . . ?
C15B C16B H16B 120.0 . . ?
N11B C16B H16B 120.0 . . ?
C25B N21B N22B 108.0 . . ?
C25B N21B Ru1 115.0(4) . . ?
N22B N21B Ru1 136.8(4) . . ?
C23B N22B N21B 108.0 . . ?
C23B N22B C26B 127.7(7) . . ?
N21B N22B C26B 124.1(7) . . ?
C24B C23B N22B 108.0 . . ?
C24B C23B H23B 126.0 . . ?
N22B C23B H23B 126.0 . . ?
C23B C24B C25B 108.0 . . ?
C23B C24B H24B 126.0 . . ?
C25B C24B H24B 126.0 . . ?
C12B C25B N21B 116.6(6) . . ?
C12B C25B C24B 135.1(6) . . ?
N21B C25B C24B 108.0 . . ?
N22B C26B C31B 112.5(10) . . ?
N22B C26B H26C 109.1 . . ?
C31B C26B H26C 109.1 . . ?
N22B C26B H26D 109.1 . . ?
C31B C26B H26D 109.1 . . ?
H26C C26B H26D 107.8 . . ?
C32B C31B C36B 120.0 . . ?
C32B C31B C26B 122.4(7) . . ?
C36B C31B C26B 117.5(7) . . ?
C31B C32B C33B 120.0 . . ?
C31B C32B H32B 120.0 . . ?
C33B C32B H32B 120.0 . . ?
C32B C33B C34B 120.0 . . ?
C32B C33B H33B 120.0 . . ?
C34B C33B H33B 120.0 . . ?
C35B C34B C33B 120.0 . . ?
C35B C34B C56B 119.1(8) . . ?
C33B C34B C56B 120.9(8) . . ?
C34B C35B C36B 120.0 . . ?
C34B C35B H35B 120.0 . . ?
C36B C35B H35B 120.0 . . ?
C35B C36B C31B 120.0 . . ?
C35B C36B H36B 120.0 . . ?
C31B C36B H36B 120.0 . . ?
C42B N41B C46B 120.0 . . ?
C42B N41B Ag3 117.9(4) . . ?
C46B N41B Ag3 122.1(4) . . ?
C53B C42B N41B 116.7(7) . . ?
C53B C42B C43B 123.3(7) . . ?
N41B C42B C43B 120.0 . . ?
C42B C43B C44B 120.0 . . ?
C42B C43B H43B 120.0 . . ?
C44B C43B H43B 120.0 . . ?
C45B C44B C43B 120.0 . . ?
C45B C44B H44B 120.0 . . ?
C43B C44B H44B 120.0 . . ?
C44B C45B C46B 120.0 . . ?
C44B C45B H45B 120.0 . . ?
C46B C45B H45B 120.0 . . ?
C45B C46B N41B 120.0 . . ?
C45B C46B H46B 120.0 . . ?
N41B C46B H46B 120.0 . . ?
C56B N51B N52B 121.1(8) . . ?
C56B N51B C55B 130.9(8) . . ?
N52B N51B C55B 108.0 . . ?
N51B N52B C53B 108.0 . . ?
N51B N52B Ag3 136.4(4) . . ?
C53B N52B Ag3 114.6(4) . . ?
C42B C53B N52B 119.7(7) . . ?
C42B C53B C54B 132.3(7) . . ?
N52B C53B C54B 108.0 . . ?
C53B C54B C55B 108.0 . . ?
C53B C54B H54B 126.0 . . ?
C55B C54B H54B 126.0 . . ?
N51B C55B C54B 108.0 . . ?
N51B C55B H55B 126.0 . . ?
C54B C55B H55B 126.0 . . ?
N51B C56B C34B 108.4(9) . . ?
N51B C56B H56C 110.0 . . ?
C34B C56B H56C 110.0 . . ?
N51B C56B H56D 110.0 . . ?
C34B C56B H56D 110.0 . . ?
H56C C56B H56D 108.4 . . ?
C12C N11C C16C 120.0 . . ?
C12C N11C Ru1 116.0(4) . . ?
C16C N11C Ru1 124.0(4) . . ?
C23C C12C C13C 125.7(6) . . ?
C23C C12C N11C 114.2(6) . . ?
C13C C12C N11C 120.0 . . ?
C12C C13C C14C 120.0 . . ?
C12C C13C H13C 120.0 . . ?
C14C C13C H13C 120.0 . . ?
C15C C14C C13C 120.0 . . ?
C15C C14C H14C 120.0 . . ?
C13C C14C H14C 120.0 . . ?
C14C C15C C16C 120.0 . . ?
C14C C15C H15C 120.0 . . ?
C16C C15C H15C 120.0 . . ?
C15C C16C N11C 120.0 . . ?
C15C C16C H16C 120.0 . . ?
N11C C16C H16C 120.0 . . ?
C26C N21C C25C 129.7(8) . . ?
C26C N21C N22C 121.3(9) . . ?
C25C N21C N22C 108.0 . . ?
C23C N22C N21C 108.0 . . ?
C23C N22C Ru1 113.4(4) . . ?
N21C N22C Ru1 138.5(4) . . ?
C12C C23C C24C 133.1(7) . . ?
C12C C23C N22C 118.6(7) . . ?
C24C C23C N22C 108.0 . . ?
C23C C24C C25C 108.0 . . ?
C23C C24C H24C 126.0 . . ?
C25C C24C H24C 126.0 . . ?
C24C C25C N21C 108.0 . . ?
C24C C25C H25C 126.0 . . ?
N21C C25C H25C 126.0 . . ?
N21C C26C C31C 115.9(11) . . ?
N21C C26C H26E 108.3 . . ?
C31C C26C H26E 108.3 . . ?
N21C C26C H26F 108.3 . . ?
C31C C26C H26F 108.3 . . ?
H26E C26C H26F 107.4 . . ?
C32C C31C C36C 120.0 . . ?
C32C C31C C26C 124.2(7) . . ?
C36C C31C C26C 115.8(7) . . ?
C31C C32C C33C 120.0 . . ?
C31C C32C H32C 120.0 . . ?
C33C C32C H32C 120.0 . . ?
C34C C33C C32C 120.0 . . ?
C34C C33C H33C 120.0 . . ?
C32C C33C H33C 120.0 . . ?
C33C C34C C35C 120.0 . . ?
C33C C34C C56C 118.6(7) . . ?
C35C C34C C56C 121.4(7) . . ?
C34C C35C C36C 120.0 . . ?
C34C C35C H35C 120.0 . . ?
C36C C35C H35C 120.0 . . ?
C35C C36C C31C 120.0 . . ?
C35C C36C H36C 120.0 . . ?
C31C C36C H36C 120.0 . . ?
C42C N41C C46C 120.0 . . ?
C42C N41C Ag1 117.1(5) . . ?
C46C N41C Ag1 122.8(5) . . ?
C53C C42C C43C 123.9(8) . . ?
C53C C42C N41C 116.1(8) . . ?
C43C C42C N41C 120.0 . . ?
C44C C43C C42C 120.0 . . ?
C44C C43C H43C 120.0 . . ?
C42C C43C H43C 120.0 . . ?
C43C C44C C45C 120.0 . . ?
C43C C44C H44C 120.0 . . ?
C45C C44C H44C 120.0 . . ?
C46C C45C C44C 120.0 . . ?
C46C C45C H45C 120.0 . . ?
C44C C45C H45C 120.0 . . ?
C45C C46C N41C 120.0 . . ?
C45C C46C H46C 120.0 . . ?
N41C C46C H46C 120.0 . . ?
C56C N51C N52C 120.2(9) . . ?
C56C N51C C55C 131.7(9) . . ?
N52C N51C C55C 108.0 . . ?
C53C N52C N51C 108.0 . . ?
C53C N52C Ag1 112.7(5) . . ?
N51C N52C Ag1 138.2(5) . . ?
C42C C53C N52C 121.7(8) . . ?
C42C C53C C54C 130.2(8) . . ?
N52C C53C C54C 108.0 . . ?
C55C C54C C53C 108.0 . . ?
C55C C54C H54C 126.0 . . ?
C53C C54C H54C 126.0 . . ?
C54C C55C N51C 108.0 . . ?
C54C C55C H55C 126.0 . . ?
N51C C55C H55C 126.0 . . ?
N51C C56C C34C 108.8(12) . . ?
N51C C56C H56E 109.9 . . ?
C34C C56C H56E 109.9 . . ?
N51C C56C H56F 109.9 . . ?
C34C C56C H56F 109.9 . . ?
H56E C56C H56F 108.3 . . ?
C12D N11D C16D 120.0 . . ?
C12D N11D Ru2 116.2(4) . . ?
C16D N11D Ru2 123.8(4) . . ?
C23D C12D C13D 126.0(7) . . ?
C23D C12D N11D 114.0(7) . . ?
C13D C12D N11D 120.0 . . ?
C12D C13D C14D 120.0 . . ?
C12D C13D H13D 120.0 . . ?
C14D C13D H13D 120.0 . . ?
C15D C14D C13D 120.0 . . ?
C15D C14D H14D 120.0 . . ?
C13D C14D H14D 120.0 . . ?
C14D C15D C16D 120.0 . . ?
C14D C15D H15D 120.0 . . ?
C16D C15D H15D 120.0 . . ?
C15D C16D N11D 120.0 . . ?
C15D C16D H16D 120.0 . . ?
N11D C16D H16D 120.0 . . ?
C26D N21D N22D 123.0(9) . . ?
C26D N21D C25D 128.7(8) . . ?
N22D N21D C25D 108.0 . . ?
N21D N22D C23D 108.0 . . ?
N21D N22D Ru2 137.6(5) . . ?
C23D N22D Ru2 114.1(5) . . ?
C12D C23D C24D 133.6(7) . . ?
C12D C23D N22D 118.0(7) . . ?
C24D C23D N22D 108.0 . . ?
C23D C24D C25D 108.0 . . ?
C23D C24D H24D 126.0 . . ?
C25D C24D H24D 126.0 . . ?
C24D C25D N21D 108.0 . . ?
C24D C25D H25D 126.0 . . ?
N21D C25D H25D 126.0 . . ?
N21D C26D C31D 113.3(11) . . ?
N21D C26D H26G 108.9 . . ?
C31D C26D H26G 108.9 . . ?
N21D C26D H26H 108.9 . . ?
C31D C26D H26H 108.9 . . ?
H26G C26D H26H 107.7 . . ?
C32D C31D C36D 120.0 . . ?
C32D C31D C26D 117.2(7) . . ?
C36D C31D C26D 122.8(7) . . ?
C33D C32D C31D 120.0 . . ?
C33D C32D H32D 120.0 . . ?
C31D C32D H32D 120.0 . . ?
C32D C33D C34D 120.0 . . ?
C32D C33D H33D 120.0 . . ?
C34D C33D H33D 120.0 . . ?
C35D C34D C33D 120.0 . . ?
C35D C34D C56D 118.4(8) . . ?
C33D C34D C56D 121.4(8) . . ?
C34D C35D C36D 120.0 . . ?
C34D C35D H35D 120.0 . . ?
C36D C35D H35D 120.0 . . ?
C35D C36D C31D 120.0 . . ?
C35D C36D H36D 120.0 . . ?
C31D C36D H36D 120.0 . . ?
C42D N41D C46D 120.0 . . ?
C42D N41D Ag1 116.0(4) . . ?
C46D N41D Ag1 124.0(5) . . ?
C53D C42D N41D 115.8(7) . . ?
C53D C42D C43D 124.1(7) . . ?
N41D C42D C43D 120.0 . . ?
C44D C43D C42D 120.0 . . ?
C44D C43D H43D 120.0 . . ?
C42D C43D H43D 120.0 . . ?
C43D C44D C45D 120.0 . . ?
C43D C44D H44D 120.0 . . ?
C45D C44D H44D 120.0 . . ?
C44D C45D C46D 120.0 . . ?
C44D C45D H45D 120.0 . . ?
C46D C45D H45D 120.0 . . ?
C45D C46D N41D 120.0 . . ?
C45D C46D H46D 120.0 . . ?
N41D C46D H46D 120.0 . . ?
C56D N51D C55D 133.9(9) . . ?
C56D N51D N52D 118.0(9) . . ?
C55D N51D N52D 108.0 . . ?
C53D N52D N51D 108.0 . . ?
C53D N52D Ag1 114.0(5) . . ?
N51D N52D Ag1 136.2(5) . . ?
C42D C53D N52D 121.3(8) . . ?
C42D C53D C54D 130.7(8) . . ?
N52D C53D C54D 108.0 . . ?
C55D C54D C53D 108.0 . . ?
C55D C54D H54D 126.0 . . ?
C53D C54D H54D 126.0 . . ?
C54D C55D N51D 108.0 . . ?
C54D C55D H55D 126.0 . . ?
N51D C55D H55D 126.0 . . ?
N51D C56D C34D 112.2(12) . . ?
N51D C56D H56G 109.2 . . ?
C34D C56D H56G 109.2 . . ?
N51D C56D H56H 109.2 . . ?
C34D C56D H56H 109.2 . . ?
H56G C56D H56H 107.9 . . ?
C12E N11E C16E 120.0 . . ?
C12E N11E Ru2 116.7(5) . . ?
C16E N11E Ru2 123.3(5) . . ?
C23E C12E C13E 127.8(7) . . ?
C23E C12E N11E 112.2(7) . . ?
C13E C12E N11E 120.0 . . ?
C12E C13E C14E 120.0 . . ?
C12E C13E H13E 120.0 . . ?
C14E C13E H13E 120.0 . . ?
C15E C14E C13E 120.0 . . ?
C15E C14E H14E 120.0 . . ?
C13E C14E H14E 120.0 . . ?
C14E C15E C16E 120.0 . . ?
C14E C15E H15E 120.0 . . ?
C16E C15E H15E 120.0 . . ?
C15E C16E N11E 120.0 . . ?
C15E C16E H16E 120.0 . . ?
N11E C16E H16E 120.0 . . ?
C26E N21E C25E 129.4(9) . . ?
C26E N21E N22E 122.5(9) . . ?
C25E N21E N22E 108.0 . . ?
N21E N22E C23E 108.0 . . ?
N21E N22E Ru2 137.7(5) . . ?
C23E N22E Ru2 113.7(5) . . ?
C12E C23E C24E 132.3(8) . . ?
C12E C23E N22E 119.1(8) . . ?
C24E C23E N22E 108.0 . . ?
C25E C24E C23E 108.0 . . ?
C25E C24E H24E 126.0 . . ?
C23E C24E H24E 126.0 . . ?
N21E C25E C24E 108.0 . . ?
N21E C25E H25E 126.0 . . ?
C24E C25E H25E 126.0 . . ?
N21E C26E C31E 117.8(11) . . ?
N21E C26E H26I 107.8 . . ?
C31E C26E H26I 107.8 . . ?
N21E C26E H26J 107.8 . . ?
C31E C26E H26J 107.8 . . ?
H26I C26E H26J 107.2 . . ?
C32E C31E C36E 120.0 . . ?
C32E C31E C26E 121.6(8) . . ?
C36E C31E C26E 118.2(8) . . ?
C31E C32E C33E 120.0 . . ?
C31E C32E H32E 120.0 . . ?
C33E C32E H32E 120.0 . . ?
C32E C33E C34E 120.0 . . ?
C32E C33E H33E 120.0 . . ?
C34E C33E H33E 120.0 . . ?
C33E C34E C35E 120.0 . . ?
C33E C34E C56E 120.8(8) . . ?
C35E C34E C56E 119.1(8) . . ?
C36E C35E C34E 120.0 . . ?
C36E C35E H35E 120.0 . . ?
C34E C35E H35E 120.0 . . ?
C35E C36E C31E 120.0 . . ?
C35E C36E H36E 120.0 . . ?
C31E C36E H36E 120.0 . . ?
C42E N41E C46E 120.0 . . ?
C42E N41E Ag4 116.3(4) . . ?
C46E N41E Ag4 122.6(4) . . ?
C53E C42E C43E 122.8(6) . . ?
C53E C42E N41E 117.1(6) . . ?
C43E C42E N41E 120.0 . . ?
C42E C43E C44E 120.0 . . ?
C42E C43E H43E 120.0 . . ?
C44E C43E H43E 120.0 . . ?
C45E C44E C43E 120.0 . . ?
C45E C44E H44E 120.0 . . ?
C43E C44E H44E 120.0 . . ?
C44E C45E C46E 120.0 . . ?
C44E C45E H45E 120.0 . . ?
C46E C45E H45E 120.0 . . ?
C45E C46E N41E 120.0 . . ?
C45E C46E H46E 120.0 . . ?
N41E C46E H46E 120.0 . . ?
C56E N51E C55E 130.8(8) . . ?
C56E N51E N52E 120.8(8) . . ?
C55E N51E N52E 108.0 . . ?
N51E N52E C53E 108.0 . . ?
N51E N52E Ag4 138.8(4) . . ?
C53E N52E Ag4 113.2(4) . . ?
C42E C53E C54E 131.6(7) . . ?
C42E C53E N52E 120.2(7) . . ?
C54E C53E N52E 108.0 . . ?
C53E C54E C55E 108.0 . . ?
C53E C54E H54E 126.0 . . ?
C55E C54E H54E 126.0 . . ?
N51E C55E C54E 108.0 . . ?
N51E C55E H55E 126.0 . . ?
C54E C55E H55E 126.0 . . ?
N51E C56E C34E 116.7(11) . . ?
N51E C56E H56I 108.1 . . ?
C34E C56E H56I 108.1 . . ?
N51E C56E H56J 108.1 . . ?
C34E C56E H56J 108.1 . . ?
H56I C56E H56J 107.3 . . ?
C12F N11F C16F 120.0 . . ?
C12F N11F Ru2 115.3(5) . . ?
C16F N11F Ru2 124.6(5) . . ?
C23F C12F C13F 124.9(7) . . ?
C23F C12F N11F 115.1(7) . . ?
C13F C12F N11F 120.0 . . ?
C14F C13F C12F 120.0 . . ?
C14F C13F H13F 120.0 . . ?
C12F C13F H13F 120.0 . . ?
C13F C14F C15F 120.0 . . ?
C13F C14F H14F 120.0 . . ?
C15F C14F H14F 120.0 . . ?
C16F C15F C14F 120.0 . . ?
C16F C15F H15F 120.0 . . ?
C14F C15F H15F 120.0 . . ?
C15F C16F N11F 120.0 . . ?
C15F C16F H16F 120.0 . . ?
N11F C16F H16F 120.0 . . ?
C26F N21F N22F 122.8(9) . . ?
C26F N21F C25F 129.2(9) . . ?
N22F N21F C25F 108.0 . . ?
C23F N22F N21F 108.0 . . ?
C23F N22F Ru2 113.9(5) . . ?
N21F N22F Ru2 137.7(5) . . ?
C12F C23F C24F 134.7(7) . . ?
C12F C23F N22F 116.8(7) . . ?
C24F C23F N22F 108.0 . . ?
C23F C24F C25F 108.0 . . ?
C23F C24F H24F 126.0 . . ?
C25F C24F H24F 126.0 . . ?
N21F C25F C24F 108.0 . . ?
N21F C25F H25F 126.0 . . ?
C24F C25F H25F 126.0 . . ?
N21F C26F C31F 112.7(12) . . ?
N21F C26F H26K 109.1 . . ?
C31F C26F H26K 109.1 . . ?
N21F C26F H26L 109.1 . . ?
C31F C26F H26L 109.1 . . ?
H26K C26F H26L 107.8 . . ?
C32F C31F C36F 120.0 . . ?
C32F C31F C26F 116.3(8) . . ?
C36F C31F C26F 123.6(8) . . ?
C31F C32F C33F 120.0 . . ?
C31F C32F H32F 120.0 . . ?
C33F C32F H32F 120.0 . . ?
C32F C33F C34F 120.0 . . ?
C32F C33F H33F 120.0 . . ?
C34F C33F H33F 120.0 . . ?
C35F C34F C33F 120.0 . . ?
C35F C34F C56F 119.0(9) . . ?
C33F C34F C56F 120.9(9) . . ?
C34F C35F C36F 120.0 . . ?
C34F C35F H35F 120.0 . . ?
C36F C35F H35F 120.0 . . ?
C35F C36F C31F 120.0 . . ?
C35F C36F H36F 120.0 . . ?
C31F C36F H36F 120.0 . . ?
C42F N41F C46F 120.0 . . ?
C42F N41F Ag2 115.5(4) . . ?
C46F N41F Ag2 124.4(4) . . ?
C53F C42F C43F 121.3(8) . . ?
C53F C42F N41F 118.6(8) . . ?
C43F C42F N41F 120.0 . . ?
C44F C43F C42F 120.0 . . ?
C44F C43F H43F 120.0 . . ?
C42F C43F H43F 120.0 . . ?
C45F C44F C43F 120.0 . . ?
C45F C44F H44F 120.0 . . ?
C43F C44F H44F 120.0 . . ?
C44F C45F C46F 120.0 . . ?
C44F C45F H45F 120.0 . . ?
C46F C45F H45F 120.0 . . ?
C45F C46F N41F 120.0 . . ?
C45F C46F H46F 120.0 . . ?
N41F C46F H46F 120.0 . . ?
C56F N51F N52F 120.6(9) . . ?
C56F N51F C55F 131.4(9) . . ?
N52F N51F C55F 108.0 . . ?
C53F N52F N51F 108.0 . . ?
C53F N52F Ag2 115.8(5) . . ?
N51F N52F Ag2 135.3(5) . . ?
C42F C53F N52F 117.8(8) . . ?
C42F C53F C54F 134.0(8) . . ?
N52F C53F C54F 108.0 . . ?
C53F C54F C55F 108.0 . . ?
C53F C54F H54F 126.0 . . ?
C55F C54F H54F 126.0 . . ?
N51F C55F C54F 108.0 . . ?
N51F C55F H55F 126.0 . . ?
C54F C55F H55F 126.0 . . ?
N51F C56F C34F 110.4(11) . . ?
N51F C56F H56K 109.6 . . ?
C34F C56F H56K 109.6 . . ?
N51F C56F H56L 109.6 . . ?
C34F C56F H56L 109.6 . . ?
H56K C56F H56L 108.1 . . ?
F5 P1 F2 94.7(7) . . ?
F5 P1 F1 94.7(7) . . ?
F2 P1 F1 90.3(7) . . ?
F5 P1 F3 93.2(7) . . ?
F2 P1 F3 172.1(9) . . ?
F1 P1 F3 90.0(7) . . ?
F5 P1 F6 93.0(7) . . ?
F2 P1 F6 89.8(7) . . ?
F1 P1 F6 172.3(9) . . ?
F3 P1 F6 88.8(7) . . ?
F5 P1 F4 178.7(9) . . ?
F2 P1 F4 85.9(6) . . ?
F1 P1 F4 86.5(7) . . ?
F3 P1 F4 86.2(6) . . ?
F6 P1 F4 85.8(6) . . ?
F25 P2 F22 177.1(5) . . ?
F25 P2 F24 88.3(5) . . ?
F22 P2 F24 88.9(4) . . ?
F25 P2 F23 91.1(5) . . ?
F22 P2 F23 89.5(5) . . ?
F24 P2 F23 89.4(5) . . ?
F25 P2 F26 89.9(6) . . ?
F22 P2 F26 89.4(5) . . ?
F24 P2 F26 90.6(5) . . ?
F23 P2 F26 178.9(6) . . ?
F25 P2 F21 93.6(6) . . ?
F22 P2 F21 89.3(5) . . ?
F24 P2 F21 177.1(6) . . ?
F23 P2 F21 88.3(6) . . ?
F26 P2 F21 91.7(6) . . ?
F35 P3 F32 174.0(9) . . ?
F35 P3 F36 83.7(7) . . ?
F32 P3 F36 91.1(8) . . ?
F35 P3 F31 88.2(7) . . ?
F32 P3 F31 96.7(9) . . ?
F36 P3 F31 170.5(7) . . ?
F35 P3 F34 91.5(7) . . ?
F32 P3 F34 91.4(8) . . ?
F36 P3 F34 89.4(7) . . ?
F31 P3 F34 95.9(7) . . ?
F35 P3 F33 81.8(7) . . ?
F32 P3 F33 94.8(8) . . ?
F36 P3 F33 84.5(6) . . ?
F31 P3 F33 89.3(7) . . ?
F34 P3 F33 171.3(7) . . ?
F45 P4 F44 93.8(8) . . ?
F45 P4 F43 92.2(7) . . ?
F44 P4 F43 91.2(7) . . ?
F45 P4 F46 91.3(6) . . ?
F44 P4 F46 174.9(9) . . ?
F43 P4 F46 88.9(6) . . ?
F45 P4 F41 92.4(7) . . ?
F44 P4 F41 90.7(6) . . ?
F43 P4 F41 174.9(9) . . ?
F46 P4 F41 88.7(7) . . ?
F45 P4 F42 177.8(9) . . ?
F44 P4 F42 88.5(6) . . ?
F43 P4 F42 88.0(6) . . ?
F46 P4 F42 86.4(7) . . ?
F41 P4 F42 87.4(7) . . ?
F52 P5 F56 95.7(8) . . ?
F52 P5 F51 95.0(8) . . ?
F56 P5 F51 91.3(7) . . ?
F52 P5 F53 94.7(8) . . ?
F56 P5 F53 169.5(10) . . ?
F51 P5 F53 89.0(7) . . ?
F52 P5 F54 94.3(8) . . ?
F56 P5 F54 90.0(7) . . ?
F51 P5 F54 170.4(9) . . ?
F53 P5 F54 88.0(7) . . ?
F52 P5 F55 178.8(10) . . ?
F56 P5 F55 85.4(7) . . ?
F51 P5 F55 85.5(7) . . ?
F53 P5 F55 84.2(7) . . ?
F54 P5 F55 85.2(7) . . ?
F64 P6 F65 92.6(8) . . ?
F64 P6 F63 91.3(8) . . ?
F65 P6 F63 92.2(8) . . ?
F64 P6 F66 90.4(8) . . ?
F65 P6 F66 91.2(8) . . ?
F63 P6 F66 176.2(11) . . ?
F64 P6 F61 176.2(10) . . ?
F65 P6 F61 91.2(8) . . ?
F63 P6 F61 89.3(8) . . ?
F66 P6 F61 88.8(8) . . ?
F64 P6 F62 89.1(8) . . ?
F65 P6 F62 178.2(10) . . ?
F63 P6 F62 88.5(8) . . ?
F66 P6 F62 88.1(8) . . ?
F61 P6 F62 87.1(7) . . ?
F72 P7 F72 177.2(12) . 2_655 ?
F72 P7 F71 88.5(8) . 2_655 ?
F72 P7 F71 93.3(8) 2_655 2_655 ?
F72 P7 F71 93.4(8) . . ?
F72 P7 F71 88.5(8) 2_655 . ?
F71 P7 F71 96.6(11) 2_655 . ?
F72 P7 F73 84.1(9) . . ?
F72 P7 F73 94.0(10) 2_655 . ?
F71 P7 F73 172.2(9) 2_655 . ?
F71 P7 F73 86.2(9) . . ?
F72 P7 F73 94.0(10) . 2_655 ?
F72 P7 F73 84.1(9) 2_655 2_655 ?
F71 P7 F73 86.2(9) 2_655 2_655 ?
F71 P7 F73 172.2(9) . 2_655 ?
F73 P7 F73 92.0(16) . 2_655 ?
F83 P8 F83 107.6(9) . 2_556 ?
F83 P8 F81 89.2(8) . 2_556 ?
F83 P8 F81 91.0(6) 2_556 2_556 ?
F83 P8 F81 91.0(6) . . ?
F83 P8 F81 89.2(8) 2_556 . ?
F81 P8 F81 179.6(12) 2_556 . ?
F83 P8 F82 72.4(9) . 2_556 ?
F83 P8 F82 177.7(8) 2_556 2_556 ?
F81 P8 F82 86.7(7) 2_556 2_556 ?
F81 P8 F82 93.1(9) . 2_556 ?
F83 P8 F82 177.7(8) . . ?
F83 P8 F82 72.4(9) 2_556 . ?
F81 P8 F82 93.1(9) 2_556 . ?
F81 P8 F82 86.7(7) . . ?
F82 P8 F82 107.6(9) 2_556 . ?

_refine_diff_density_max         1.559
_refine_diff_density_min         -1.081
_refine_diff_density_rms         0.150

_shelxl_version_number           2013-4

#===END
_database_code_depnum_ccdc_archive 'CCDC 1013865'
