# Electronic Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2013

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#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
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#  fide research purposes only. It may contain copyright material
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data_c2c

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C127 H153 F12 N10 O29 Ru4 S4'
_chemical_formula_weight         3044.11

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C -0.0020 0.0021 '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'
N N -0.0031 0.0043 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O -0.0042 0.0079 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F -0.0054 0.0133 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1265 0.1577 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.1448 1.0405 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c

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

_cell_length_a                   32.701(7)
_cell_length_b                   18.016(4)
_cell_length_c                   23.371(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 114.20(3)
_cell_angle_gamma                90.00
_cell_volume                     12559(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    10243
_cell_measurement_theta_min      2
_cell_measurement_theta_max      50

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.610
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             6260
_exptl_absorpt_coefficient_mu    0.863
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8132
_exptl_absorpt_correction_T_max  0.8464
_exptl_absorpt_process_details   HKL2000

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.80000
_diffrn_radiation_type           synchrotron
_diffrn_radiation_source         synchrotron-PAL
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'ADSC Quantum 210'
_diffrn_measurement_method       \w-scan
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            36226
_diffrn_reflns_av_R_equivalents  0.0294
_diffrn_reflns_av_unetl/netI     0.0253
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.49
_diffrn_reflns_theta_max         30.36
_reflns_number_total             10243
_reflns_number_gt                8154
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'ADSC Quantum software'
_computing_cell_refinement       'DENZO (Z. Otwinowski and W. Minor, 1997)'
_computing_data_reduction        'HKL2000 (Z. Otwinowski and W. Minor, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Materials Studio 4.1'
_computing_publication_material  'Materials Studio 4.1'

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

CheckCIF 
Alert level A
PLAT027_ALERT_3_A_diffrn_reflns_theta_full (too) Low ............ 25.00 Deg.
Crystallographic comment: A single-crystal of complex 3 was weakly diffracted
at high-resolution area, even though we used high-flux synchrotron radiation.
Therefore, we were not able to colllect completed spots at high angles.

;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/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     SHELXL
_refine_ls_extinction_coef       0.0038(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_number_reflns         10243
_refine_ls_number_parameters     845
_refine_ls_number_restraints     116
_refine_ls_R_factor_all          0.1032
_refine_ls_R_factor_gt           0.0907
_refine_ls_wR_factor_ref         0.2939
_refine_ls_wR_factor_gt          0.2811
_refine_ls_goodness_of_fit_ref   1.300
_refine_ls_restrained_S_all      1.314
_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 0.276649(15) 0.68554(3) 0.74452(2) 0.0661(3) Uani 1 1 d . . .
Ru2 Ru 0.350343(19) 0.72741(3) 0.57432(3) 0.0766(3) Uani 1 1 d . . .
S1S S 0.07878(6) -0.25710(14) 0.63246(11) 0.0943(6) Uani 1 1 d . . .
S2S S 0.32825(7) 0.93690(13) 0.72140(12) 0.1021(7) Uani 1 1 d . . .
O1S O 0.0730(3) -0.1921(4) 0.5928(4) 0.140(3) Uani 1 1 d . . .
O1A O 0.26554(14) 0.7480(3) 0.6617(2) 0.0703(11) Uani 1 1 d . . .
O1C O 0.07759(13) 0.0626(3) 0.3832(2) 0.0728(11) Uani 1 1 d . . .
O2A O 0.33488(12) 0.6603(2) 0.7294(2) 0.0658(10) Uani 1 1 d . . .
O2S O 0.05466(15) -0.2533(3) 0.6709(2) 0.0857(14) Uani 1 1 d . . .
O2C O -0.15172(13) 0.0498(3) 0.1888(2) 0.0767(12) Uani 1 1 d . . .
O3A O 0.29507(15) 0.7630(2) 0.5915(2) 0.0759(12) Uani 1 1 d . . .
O3S O 0.12407(15) -0.2809(4) 0.6630(3) 0.1015(17) Uani 1 1 d . . .
O4A O 0.36853(14) 0.6868(2) 0.6672(2) 0.0731(11) Uani 1 1 d . . .
O4S O 0.3221(3) 0.9676(4) 0.6631(3) 0.172(4) Uani 1 1 d . . .
O5S O 0.3465(2) 0.8630(3) 0.7329(3) 0.1137(19) Uani 1 1 d . . .
O6S O 0.2937(2) 0.9532(4) 0.7423(5) 0.156(3) Uani 1 1 d . . .
N1C N 0.24280(15) 0.6026(3) 0.6778(2) 0.0625(11) Uani 1 1 d . . .
N2C N 0.03340(16) 0.1672(3) 0.3614(3) 0.0724(13) Uani 1 1 d . . .
H2CA H 0.0063 0.1831 0.3374 0.087 Uiso 1 1 calc R . .
N3C N -0.03785(14) 0.0841(3) 0.2886(2) 0.0657(12) Uani 1 1 d . . .
N4C N -0.11213(16) 0.1590(3) 0.2144(2) 0.0688(13) Uani 1 1 d . . .
H4CA H -0.0866 0.1777 0.2412 0.083 Uiso 1 1 calc R . .
N5C N -0.31726(18) 0.6276(3) -0.0504(2) 0.0744(14) Uani 1 1 d . . .
F1S F 0.0476(2) -0.3911(4) 0.6050(3) 0.1256(17) Uani 1 1 d . . .
C1A C 0.2954(2) 0.7392(4) 0.6426(3) 0.0675(15) Uani 1 1 d . . .
C1C C 0.2634(2) 0.5437(4) 0.6684(3) 0.0728(16) Uani 1 1 d . . .
H1CA H 0.2950 0.5394 0.6908 0.087 Uiso 1 1 calc R . .
C1B C 0.2428(2) 0.7697(4) 0.7775(3) 0.0737(17) Uani 1 1 d . . .
C1S C 0.0531(3) -0.3253(7) 0.5775(5) 0.113(3) Uani 1 1 d . . .
C2B C 0.2254(3) 0.6962(4) 0.7807(4) 0.0801(18) Uani 1 1 d . . .
H2BA H 0.1937 0.6848 0.7519 0.096 Uiso 1 1 calc R . .
C2C C 0.19772(18) 0.6092(4) 0.6447(3) 0.0679(15) Uani 1 1 d . . .
H2CB H 0.1827 0.6516 0.6509 0.081 Uiso 1 1 calc R . .
C2A C 0.3371(2) 0.6912(4) 0.6841(3) 0.0695(16) Uani 1 1 d . . .
C2S C 0.3724(3) 0.9931(6) 0.7755(4) 0.096(2) Uani 1 1 d . . .
C3C C 0.23987(19) 0.4877(4) 0.6263(3) 0.0720(16) Uani 1 1 d . . .
H3CB H 0.2553 0.4453 0.6210 0.086 Uiso 1 1 calc R . .
C3B C 0.2537(2) 0.6371(4) 0.8115(3) 0.0824(18) Uani 1 1 d . . .
H3BA H 0.2410 0.5858 0.8031 0.099 Uiso 1 1 calc R . .
C4C C 0.1735(2) 0.5558(4) 0.6025(3) 0.0702(15) Uani 1 1 d . . .
H4CB H 0.1420 0.5614 0.5801 0.084 Uiso 1 1 calc R . .
C4B C 0.3013(3) 0.6446(4) 0.8405(3) 0.090(2) Uani 1 1 d . . .
C5C C 0.1945(2) 0.4941(4) 0.5927(3) 0.0734(16) Uani 1 1 d . . .
C5B C 0.3189(3) 0.7195(5) 0.8405(3) 0.089(2) Uani 1 1 d . . .
H5BA H 0.3518 0.7254 0.8527 0.106 Uiso 1 1 calc R . .
C6C C 0.1681(2) 0.4375(4) 0.5495(3) 0.0772(17) Uani 1 1 d . . .
C6B C 0.2905(2) 0.7791(4) 0.8110(3) 0.0792(18) Uani 1 1 d . . .
H6BA H 0.3044 0.8248 0.8024 0.095 Uiso 1 1 calc R . .
C7C C 0.1465(2) 0.3895(5) 0.5144(3) 0.084(2) Uani 1 1 d . . .
C7B C 0.2144(2) 0.8300(4) 0.7412(4) 0.0791(18) Uani 1 1 d . . .
H7BA H 0.2035 0.8586 0.7677 0.119 Uiso 1 1 calc R . .
H7BB H 0.1889 0.8095 0.7054 0.119 Uiso 1 1 calc R . .
H7BC H 0.2318 0.8624 0.7258 0.119 Uiso 1 1 calc R . .
C8C C 0.1195(2) 0.3320(4) 0.4751(4) 0.0791(18) Uani 1 1 d . . .
C8B C 0.3335(3) 0.5821(6) 0.8684(4) 0.126(3) Uani 1 1 d DU . .
H8BA H 0.3570 0.5926 0.8525 0.151 Uiso 1 1 calc R . .
C9C C 0.1329(2) 0.2615(5) 0.4786(4) 0.083(2) Uani 1 1 d . . .
H9CA H 0.1623 0.2497 0.5081 0.100 Uiso 1 1 calc R . .
C9B C 0.3586(4) 0.5866(8) 0.9350(5) 0.150(4) Uani 1 1 d DU . .
H9BA H 0.3796 0.5450 0.9492 0.225 Uiso 1 1 calc R . .
H9BB H 0.3380 0.5846 0.9559 0.225 Uiso 1 1 calc R . .
H9BC H 0.3753 0.6335 0.9455 0.225 Uiso 1 1 calc R . .
C10C C 0.0762(2) 0.3500(5) 0.4286(4) 0.092(2) Uani 1 1 d . . .
H10A H 0.0660 0.4000 0.4233 0.111 Uiso 1 1 calc R . .
C10B C 0.3181(4) 0.5110(6) 0.8426(5) 0.132(3) Uani 1 1 d U . .
H10B H 0.3418 0.4743 0.8628 0.198 Uiso 1 1 calc R . .
H10C H 0.3104 0.5119 0.7974 0.198 Uiso 1 1 calc R . .
H10D H 0.2916 0.4977 0.8498 0.198 Uiso 1 1 calc R . .
C11C C 0.1069(2) 0.2043(4) 0.4422(3) 0.0784(18) Uani 1 1 d . . .
H11A H 0.1181 0.1550 0.4476 0.094 Uiso 1 1 calc R . .
C11B C 0.3613(4) 0.7192(6) 0.4882(5) 0.111(3) Uani 1 1 d . . .
C12C C 0.0486(2) 0.2934(5) 0.3905(4) 0.088(2) Uani 1 1 d . . .
H12A H 0.0195 0.3051 0.3599 0.105 Uiso 1 1 calc R . .
C12B C 0.4001(3) 0.7063(5) 0.5379(4) 0.094(2) Uani 1 1 d . . .
H12B H 0.4129 0.6551 0.5430 0.113 Uiso 1 1 calc R . .
C13C C 0.06386(19) 0.2203(4) 0.3975(3) 0.0709(16) Uani 1 1 d . . .
C13B C 0.4192(3) 0.7569(5) 0.5911(5) 0.093(2) Uani 1 1 d . . .
H13A H 0.4451 0.7418 0.6305 0.112 Uiso 1 1 calc R . .
C14C C 0.0411(2) 0.0925(4) 0.3592(3) 0.0699(15) Uani 1 1 d . . .
C14B C 0.3943(4) 0.8255(5) 0.5877(6) 0.117(3) Uani 1 1 d . . .
C15C C 0.0001(2) 0.0475(4) 0.3243(3) 0.0693(15) Uani 1 1 d . . .
C15B C 0.3520(3) 0.8328(6) 0.5292(6) 0.112(3) Uani 1 1 d . . .
H15A H 0.3303 0.8715 0.5303 0.134 Uiso 1 1 calc R . .
C16C C 0.0022(2) -0.0280(4) 0.3298(3) 0.0795(17) Uani 1 1 d . . .
H16A H 0.0299 -0.0522 0.3532 0.095 Uiso 1 1 calc R . .
C16B C 0.3360(3) 0.7838(8) 0.4852(6) 0.123(4) Uani 1 1 d . . .
H16B H 0.3044 0.7880 0.4530 0.148 Uiso 1 1 calc R . .
C17C C -0.0374(2) -0.0692(4) 0.3001(4) 0.0862(19) Uani 1 1 d . . .
H17A H -0.0375 -0.1214 0.3053 0.103 Uiso 1 1 calc R . .
C17B C 0.3401(4) 0.6583(7) 0.4348(6) 0.136(4) Uani 1 1 d U . .
H17B H 0.3505 0.6666 0.4016 0.205 Uiso 1 1 calc R . .
H17C H 0.3073 0.6621 0.4171 0.205 Uiso 1 1 calc R . .
H17D H 0.3492 0.6087 0.4527 0.205 Uiso 1 1 calc R . .
C18C C -0.0762(2) -0.0316(4) 0.2629(3) 0.0792(18) Uani 1 1 d . . .
H18A H -0.1033 -0.0579 0.2409 0.095 Uiso 1 1 calc R . .
C18B C 0.4109(5) 0.8803(9) 0.6395(8) 0.158(4) Uani 1 1 d U . .
H18B H 0.3839 0.8996 0.6446 0.190 Uiso 1 1 calc R . .
C19C C -0.07495(19) 0.0426(4) 0.2586(3) 0.0699(15) Uani 1 1 d . . .
C19B C 0.4382(6) 0.8519(10) 0.6953(9) 0.191(5) Uani 1 1 d U . .
H19A H 0.4224 0.8128 0.7073 0.287 Uiso 1 1 calc R . .
H19B H 0.4472 0.8912 0.7270 0.287 Uiso 1 1 calc R . .
H19C H 0.4648 0.8308 0.6922 0.287 Uiso 1 1 calc R . .
C20C C -0.11671(19) 0.0836(4) 0.2173(3) 0.0690(15) Uani 1 1 d . . .
C20B C 0.4276(7) 0.9456(11) 0.6075(9) 0.227(6) Uani 1 1 d U . .
H20A H 0.4395 0.9866 0.6373 0.340 Uiso 1 1 calc R . .
H20B H 0.4023 0.9633 0.5700 0.340 Uiso 1 1 calc R . .
H20C H 0.4512 0.9267 0.5957 0.340 Uiso 1 1 calc R . .
C21C C -0.14301(19) 0.2100(4) 0.1741(3) 0.0671(15) Uani 1 1 d . . .
C22C C -0.1314(2) 0.2857(4) 0.1810(3) 0.0715(16) Uani 1 1 d . . .
H22A H -0.1036 0.3003 0.2132 0.086 Uiso 1 1 calc R . .
C23C C -0.18485(19) 0.1888(4) 0.1271(3) 0.0737(17) Uani 1 1 d . . .
H23A H -0.1937 0.1382 0.1215 0.088 Uiso 1 1 calc R . .
C24C C -0.1585(2) 0.3380(4) 0.1434(3) 0.0705(15) Uani 1 1 d . . .
H24A H -0.1496 0.3886 0.1484 0.085 Uiso 1 1 calc R . .
C25C C -0.2128(2) 0.2433(4) 0.0893(3) 0.0665(15) Uani 1 1 d . . .
H25A H -0.2411 0.2292 0.0580 0.080 Uiso 1 1 calc R . .
C26C C -0.2012(2) 0.3162(4) 0.0954(3) 0.0695(16) Uani 1 1 d . . .
C27C C -0.2295(2) 0.3743(5) 0.0584(3) 0.0804(19) Uani 1 1 d . . .
C28C C -0.2529(2) 0.4264(4) 0.0289(3) 0.0730(16) Uani 1 1 d . . .
C29C C -0.2743(2) 0.4909(4) 0.0017(3) 0.0734(16) Uani 1 1 d . . .
C30C C -0.31845(19) 0.4944(4) -0.0463(3) 0.0714(16) Uani 1 1 d . . .
H30A H -0.3349 0.4497 -0.0609 0.086 Uiso 1 1 calc R . .
C31C C -0.2530(2) 0.5598(4) 0.0213(3) 0.0784(18) Uani 1 1 d . . .
H31A H -0.2232 0.5616 0.0527 0.094 Uiso 1 1 calc R . .
C32C C -0.3374(2) 0.5594(4) -0.0714(3) 0.0722(16) Uani 1 1 d . . .
H32A H -0.3661 0.5586 -0.1054 0.087 Uiso 1 1 calc R . .
C33C C -0.2741(2) 0.6226(4) -0.0038(3) 0.0793(18) Uani 1 1 d . . .
H33A H -0.2583 0.6677 0.0113 0.095 Uiso 1 1 calc R . .
F2S F 0.07439(17) -0.3433(4) 0.5407(3) 0.1293(19) Uani 1 1 d . . .
F3S F 0.01034(15) -0.3092(4) 0.5360(3) 0.131(2) Uani 1 1 d . . .
F6S F 0.3592(2) 1.0638(4) 0.7722(3) 0.1308(18) Uani 1 1 d . . .
F5S F 0.40975(19) 0.9900(4) 0.7668(4) 0.160(3) Uani 1 1 d . . .
F4S F 0.3835(3) 0.9726(5) 0.8341(3) 0.174(3) Uani 1 1 d . . .
O1AC O 0.0510(3) -0.0608(5) 0.4902(4) 0.150(3) Uani 1 1 d U . .
O4AC O -0.0191(6) -0.2638(10) 0.3720(8) 0.260(7) Uani 1 1 d U . .
C1AC C 0.0294(5) -0.0648(8) 0.5183(7) 0.153(4) Uani 1 1 d DU . .
C2AC C 0.0436(5) -0.0275(9) 0.5764(7) 0.166(5) Uani 1 1 d DU . .
C3AC C -0.0089(6) -0.1108(11) 0.5074(9) 0.191(6) Uani 1 1 d U . .
C4AC C -0.0544(4) -0.2743(8) 0.3755(7) 0.137(4) Uani 1 1 d U . .
C5AC C -0.0707(5) -0.2069(10) 0.3786(8) 0.164(5) Uani 1 1 d U . .
C6AC C -0.0703(5) -0.3393(9) 0.3877(8) 0.166(5) Uani 1 1 d U . .
O1M O 0.0000 -0.5000 0.5000 0.353(15) Uani 1 2 d SU . .
C1M C 0.0385(12) -0.537(2) 0.5327(17) 0.191(12) Uani 0.50 1 d PU . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ru1 0.0564(4) 0.0720(4) 0.0609(5) -0.0043(2) 0.0149(3) -0.0009(2)
Ru2 0.0739(4) 0.0797(5) 0.0768(5) 0.0051(2) 0.0316(3) 0.0069(2)
S1S 0.0589(9) 0.1210(16) 0.0927(15) 0.0030(11) 0.0207(9) 0.0126(9)
S2S 0.0776(11) 0.0984(15) 0.1132(17) 0.0041(12) 0.0217(11) -0.0061(10)
O1S 0.134(6) 0.130(6) 0.176(8) 0.061(5) 0.082(5) 0.035(4)
O1A 0.068(2) 0.074(3) 0.067(3) -0.004(2) 0.025(2) 0.007(2)
O1C 0.053(2) 0.083(3) 0.068(3) -0.009(2) 0.0101(19) -0.0018(19)
O2A 0.050(2) 0.080(3) 0.057(3) 0.002(2) 0.0121(18) -0.0007(18)
O2S 0.058(2) 0.103(3) 0.088(3) -0.024(3) 0.021(2) -0.002(2)
O2C 0.050(2) 0.086(3) 0.082(3) -0.009(2) 0.015(2) -0.013(2)
O3A 0.076(3) 0.071(3) 0.077(3) 0.002(2) 0.028(2) 0.010(2)
O3S 0.049(2) 0.131(5) 0.110(4) -0.013(3) 0.017(2) 0.012(3)
O4A 0.059(2) 0.080(3) 0.073(3) -0.004(2) 0.019(2) 0.0010(19)
O4S 0.240(10) 0.133(6) 0.075(5) 0.012(4) -0.003(5) -0.030(6)
O5S 0.091(4) 0.097(4) 0.146(5) 0.011(4) 0.041(4) 0.005(3)
O6S 0.084(4) 0.121(5) 0.280(10) -0.007(6) 0.092(5) -0.003(4)
N1C 0.050(2) 0.069(3) 0.059(3) -0.002(2) 0.013(2) 0.003(2)
N2C 0.049(2) 0.079(3) 0.081(4) -0.011(3) 0.018(2) -0.003(2)
N3C 0.049(2) 0.078(3) 0.065(3) -0.006(2) 0.019(2) -0.007(2)
N4C 0.051(2) 0.071(3) 0.076(3) -0.011(2) 0.018(2) -0.008(2)
N5C 0.072(3) 0.083(3) 0.061(3) -0.004(2) 0.019(2) -0.018(3)
F1S 0.128(4) 0.123(4) 0.120(4) -0.024(3) 0.045(3) -0.021(3)
C1A 0.064(3) 0.068(4) 0.063(4) 0.001(3) 0.018(3) 0.002(3)
C1C 0.058(3) 0.080(4) 0.072(4) 0.000(3) 0.018(3) 0.006(3)
C1B 0.072(4) 0.080(4) 0.070(4) -0.014(3) 0.030(3) -0.009(3)
C1S 0.080(5) 0.163(10) 0.100(7) -0.026(6) 0.040(5) 0.004(5)
C2B 0.083(4) 0.082(4) 0.080(5) -0.009(3) 0.039(4) -0.012(4)
C2C 0.053(3) 0.079(4) 0.061(4) -0.008(3) 0.013(3) 0.004(3)
C2A 0.059(3) 0.071(4) 0.062(4) -0.013(3) 0.009(3) -0.008(3)
C2S 0.078(5) 0.114(7) 0.090(6) 0.003(5) 0.027(4) 0.012(4)
C3C 0.057(3) 0.073(4) 0.083(4) -0.004(3) 0.025(3) -0.003(3)
C3B 0.084(4) 0.085(5) 0.065(4) -0.003(3) 0.017(3) -0.013(4)
C4C 0.057(3) 0.080(4) 0.065(4) -0.003(3) 0.016(3) 0.001(3)
C4B 0.094(5) 0.088(5) 0.066(4) -0.003(3) 0.010(4) -0.003(4)
C5C 0.061(3) 0.081(4) 0.076(4) -0.009(3) 0.026(3) -0.012(3)
C5B 0.081(4) 0.104(6) 0.067(5) -0.009(4) 0.015(4) -0.005(4)
C6C 0.067(3) 0.085(4) 0.081(4) -0.018(4) 0.031(3) -0.009(3)
C6B 0.076(4) 0.091(5) 0.067(4) -0.017(3) 0.026(3) -0.020(4)
C7C 0.056(3) 0.110(5) 0.088(5) -0.026(4) 0.031(3) -0.011(3)
C7B 0.077(4) 0.077(4) 0.090(5) -0.008(3) 0.040(4) -0.002(3)
C8C 0.060(3) 0.089(5) 0.085(5) -0.025(4) 0.027(3) -0.008(3)
C8B 0.114(7) 0.112(5) 0.101(5) 0.015(5) -0.008(5) 0.017(5)
C9C 0.054(3) 0.113(6) 0.079(5) -0.015(4) 0.023(3) -0.011(3)
C9B 0.141(9) 0.161(10) 0.109(6) -0.001(6) 0.011(6) 0.013(8)
C10C 0.055(3) 0.090(5) 0.121(6) -0.034(4) 0.025(4) -0.013(3)
C10B 0.132(5) 0.114(4) 0.130(5) -0.001(4) 0.032(4) 0.007(4)
C11C 0.057(3) 0.092(4) 0.075(4) -0.018(3) 0.016(3) -0.002(3)
C11B 0.126(8) 0.131(8) 0.087(7) 0.015(5) 0.054(6) 0.008(6)
C12C 0.052(3) 0.096(5) 0.103(6) -0.016(4) 0.019(3) -0.001(3)
C12B 0.095(5) 0.104(5) 0.101(6) -0.003(5) 0.059(5) 0.000(4)
C13C 0.051(3) 0.081(4) 0.073(4) -0.022(3) 0.017(3) -0.006(3)
C13B 0.081(4) 0.102(5) 0.113(6) -0.007(5) 0.056(5) -0.003(4)
C14C 0.058(3) 0.074(4) 0.071(4) -0.008(3) 0.019(3) 0.004(3)
C14B 0.121(7) 0.090(5) 0.175(10) -0.031(6) 0.094(8) -0.034(5)
C15C 0.062(3) 0.073(4) 0.071(4) -0.004(3) 0.024(3) 0.000(3)
C15B 0.089(6) 0.096(6) 0.148(9) 0.026(6) 0.047(6) 0.000(5)
C16C 0.060(3) 0.087(5) 0.085(5) 0.001(3) 0.022(3) -0.001(3)
C16B 0.088(6) 0.166(11) 0.112(8) 0.043(7) 0.037(6) -0.010(7)
C17C 0.074(4) 0.080(4) 0.094(5) 0.004(4) 0.023(4) -0.006(3)
C17B 0.139(5) 0.150(5) 0.124(5) -0.001(4) 0.058(4) -0.012(4)
C18C 0.060(3) 0.079(4) 0.087(5) -0.008(3) 0.018(3) -0.014(3)
C18B 0.128(8) 0.174(10) 0.190(9) -0.045(7) 0.082(6) -0.020(7)
C19C 0.057(3) 0.082(4) 0.064(4) -0.004(3) 0.018(3) -0.003(3)
C19B 0.182(7) 0.195(7) 0.199(7) -0.016(4) 0.081(5) -0.004(5)
C20C 0.056(3) 0.086(4) 0.062(4) -0.007(3) 0.021(3) -0.006(3)
C20B 0.231(8) 0.220(8) 0.234(7) 0.006(5) 0.102(5) -0.022(5)
C21C 0.054(3) 0.077(4) 0.063(4) -0.004(3) 0.016(3) -0.001(3)
C22C 0.052(3) 0.087(4) 0.069(4) -0.007(3) 0.018(3) -0.005(3)
C23C 0.051(3) 0.088(5) 0.080(5) -0.011(3) 0.026(3) -0.011(3)
C24C 0.059(3) 0.084(4) 0.062(4) -0.002(3) 0.019(3) -0.004(3)
C25C 0.054(3) 0.082(4) 0.059(4) -0.010(3) 0.019(3) -0.011(3)
C26C 0.053(3) 0.093(5) 0.059(4) 0.002(3) 0.020(3) 0.006(3)
C27C 0.063(3) 0.113(6) 0.065(4) -0.009(4) 0.026(3) -0.004(4)
C28C 0.057(3) 0.099(5) 0.058(4) 0.008(3) 0.019(3) -0.003(3)
C29C 0.066(3) 0.083(4) 0.063(4) -0.002(3) 0.018(3) -0.014(3)
C30C 0.054(3) 0.088(4) 0.063(4) 0.004(3) 0.015(3) -0.007(3)
C31C 0.068(3) 0.095(5) 0.053(4) 0.004(3) 0.006(3) -0.013(3)
C32C 0.057(3) 0.084(4) 0.065(4) -0.008(3) 0.014(3) -0.015(3)
C33C 0.065(3) 0.091(5) 0.063(4) -0.005(3) 0.006(3) -0.020(3)
F2S 0.083(3) 0.189(6) 0.115(4) -0.024(4) 0.040(3) 0.016(3)
F3S 0.067(3) 0.211(7) 0.100(4) -0.036(4) 0.017(2) 0.007(3)
F6S 0.125(4) 0.117(4) 0.137(5) -0.020(3) 0.039(4) -0.012(3)
F5S 0.102(4) 0.181(6) 0.204(7) -0.082(5) 0.071(4) -0.039(4)
F4S 0.199(7) 0.180(7) 0.113(5) 0.002(4) 0.035(5) 0.063(6)
O1AC 0.168(5) 0.150(5) 0.145(4) 0.002(4) 0.079(4) 0.018(4)
O4AC 0.254(8) 0.266(8) 0.268(8) -0.007(5) 0.113(5) 0.003(5)
C1AC 0.137(7) 0.146(8) 0.171(9) 0.007(7) 0.057(7) 0.005(7)
C2AC 0.167(6) 0.174(7) 0.166(6) -0.005(5) 0.079(5) 0.004(5)
C3AC 0.184(7) 0.187(7) 0.196(7) 0.005(5) 0.072(5) -0.001(5)
C4AC 0.093(5) 0.167(8) 0.172(8) 0.010(6) 0.075(6) 0.000(5)
C5AC 0.151(6) 0.161(6) 0.179(7) -0.003(5) 0.066(5) 0.004(5)
C6AC 0.159(6) 0.161(6) 0.164(6) 0.002(5) 0.052(5) -0.011(5)
O1M 0.352(17) 0.339(18) 0.356(18) -0.027(10) 0.133(11) 0.003(10)
C1M 0.189(13) 0.188(13) 0.192(13) -0.005(5) 0.076(7) 0.002(5)

_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 N1C 2.116(5) . ?
Ru1 O2A 2.124(4) . ?
Ru1 O1A 2.136(5) . ?
Ru1 C2B 2.172(8) . ?
Ru1 C4B 2.178(8) . ?
Ru1 C3B 2.177(7) . ?
Ru1 C5B 2.186(7) . ?
Ru1 C1B 2.196(7) . ?
Ru1 C6B 2.209(7) . ?
Ru2 N5C 2.054(6) 2 ?
Ru2 O3A 2.106(5) . ?
Ru2 O4A 2.131(5) . ?
Ru2 C12B 2.158(7) . ?
Ru2 C13B 2.187(8) . ?
Ru2 C15B 2.183(10) . ?
Ru2 C11B 2.191(9) . ?
Ru2 C16B 2.189(10) . ?
Ru2 C14B 2.218(8) . ?
S1S O3S 1.421(5) . ?
S1S O2S 1.420(6) . ?
S1S O1S 1.457(7) . ?
S1S C1S 1.727(11) . ?
S2S O4S 1.406(8) . ?
S2S O6S 1.434(8) . ?
S2S O5S 1.439(6) . ?
S2S C2S 1.793(9) . ?
O1A C1A 1.240(8) . ?
O1C C14C 1.217(7) . ?
O2A C2A 1.225(8) . ?
O2C C20C 1.225(7) . ?
O3A C1A 1.264(8) . ?
O4A C2A 1.245(9) . ?
N1C C1C 1.323(8) . ?
N1C C2C 1.360(7) . ?
N2C C13C 1.390(8) . ?
N2C C14C 1.374(8) . ?
N2C H2CA 0.8800 . ?
N3C C15C 1.350(8) . ?
N3C C19C 1.351(7) . ?
N4C C20C 1.370(9) . ?
N4C C21C 1.405(8) . ?
N4C H4CA 0.8800 . ?
N5C C32C 1.385(8) . ?
N5C C33C 1.388(8) . ?
N5C Ru2 2.054(6) 2 ?
F1S C1S 1.395(13) . ?
C1A C2A 1.570(9) . ?
C1C C3C 1.401(9) . ?
C1C H1CA 0.9500 . ?
C1B C2B 1.453(10) . ?
C1B C6B 1.441(10) . ?
C1B C7B 1.454(10) . ?
C1S F3S 1.367(10) . ?
C1S F2S 1.348(10) . ?
C2B C3B 1.402(11) . ?
C2B H2BA 1.0000 . ?
C2C C4C 1.373(9) . ?
C2C H2CB 0.9500 . ?
C2S F6S 1.337(11) . ?
C2S F5S 1.318(10) . ?
C2S F4S 1.319(11) . ?
C3C C5C 1.369(9) . ?
C3C H3CB 0.9500 . ?
C3B C4B 1.426(11) . ?
C3B H3BA 1.0000 . ?
C4C C5C 1.375(10) . ?
C4C H4CB 0.9500 . ?
C4B C5B 1.466(12) . ?
C4B C8B 1.497(12) . ?
C5C C6C 1.446(9) . ?
C5B C6B 1.403(11) . ?
C5B H5BA 1.0000 . ?
C6C C7C 1.202(9) . ?
C6B H6BA 1.0000 . ?
C7C C8C 1.426(10) . ?
C7B H7BA 0.9800 . ?
C7B H7BB 0.9800 . ?
C7B H7BC 0.9800 . ?
C8C C9C 1.336(11) . ?
C8C C10C 1.423(10) . ?
C8B C9B 1.434(12) . ?
C8B C10B 1.416(14) . ?
C8B H8BA 1.0000 . ?
C9C C11C 1.383(10) . ?
C9C H9CA 0.9500 . ?
C9B H9BA 0.9800 . ?
C9B H9BB 0.9800 . ?
C9B H9BC 0.9800 . ?
C10C C12C 1.412(10) . ?
C10C H10A 0.9500 . ?
C10B H10B 0.9800 . ?
C10B H10C 0.9800 . ?
C10B H10D 0.9800 . ?
C11C C13C 1.395(9) . ?
C11C H11A 0.9500 . ?
C11B C12B 1.344(13) . ?
C11B C16B 1.415(16) . ?
C11B C17B 1.591(16) . ?
C12C C13C 1.393(10) . ?
C12C H12A 0.9500 . ?
C12B C13B 1.459(12) . ?
C12B H12B 1.0000 . ?
C13B C14B 1.465(13) . ?
C13B H13A 1.0000 . ?
C14C C15C 1.490(9) . ?
C14B C18B 1.481(16) . ?
C14B C15B 1.501(16) . ?
C15C C16C 1.366(10) . ?
C15B C16B 1.293(16) . ?
C15B H15A 1.0000 . ?
C16C C17C 1.404(9) . ?
C16C H16A 0.9500 . ?
C16B H16B 1.0000 . ?
C17C C18C 1.387(10) . ?
C17C H17A 0.9500 . ?
C17B H17B 0.9800 . ?
C17B H17C 0.9800 . ?
C17B H17D 0.9800 . ?
C18C C19C 1.342(10) . ?
C18C H18A 0.9500 . ?
C18B C19B 1.34(2) . ?
C18B C20B 1.60(2) . ?
C18B H18B 1.0000 . ?
C19C C20C 1.504(9) . ?
C19B H19A 0.9800 . ?
C19B H19B 0.9800 . ?
C19B H19C 0.9800 . ?
C20B H20A 0.9800 . ?
C20B H20B 0.9800 . ?
C20B H20C 0.9800 . ?
C21C C23C 1.412(8) . ?
C21C C22C 1.407(9) . ?
C22C C24C 1.344(9) . ?
C22C H22A 0.9500 . ?
C23C C25C 1.384(10) . ?
C23C H23A 0.9500 . ?
C24C C26C 1.441(9) . ?
C24C H24A 0.9500 . ?
C25C C26C 1.359(9) . ?
C25C H25A 0.9500 . ?
C26C C27C 1.429(10) . ?
C27C C28C 1.228(10) . ?
C28C C29C 1.371(10) . ?
C29C C31C 1.405(9) . ?
C29C C30C 1.422(8) . ?
C30C C32C 1.343(9) . ?
C30C H30A 0.9500 . ?
C31C C33C 1.330(10) . ?
C31C H31A 0.9500 . ?
C32C H32A 0.9500 . ?
C33C H33A 0.9500 . ?
O1AC C1AC 1.149(16) . ?
O4AC C4AC 1.205(18) . ?
C1AC C2AC 1.412(15) . ?
C1AC C3AC 1.43(2) . ?
C4AC C6AC 1.359(19) . ?
C4AC C5AC 1.341(19) . ?
O1M C1M 1.35(4) . ?
O1M C1M 1.35(4) 5_546 ?

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
N1C Ru1 O2A 87.68(17) . . ?
N1C Ru1 O1A 81.99(18) . . ?
O2A Ru1 O1A 78.07(17) . . ?
N1C Ru1 C2B 95.5(2) . . ?
O2A Ru1 C2B 166.1(3) . . ?
O1A Ru1 C2B 115.7(2) . . ?
N1C Ru1 C4B 112.4(2) . . ?
O2A Ru1 C4B 96.9(3) . . ?
O1A Ru1 C4B 164.8(2) . . ?
C2B Ru1 C4B 69.4(3) . . ?
N1C Ru1 C3B 91.0(2) . . ?
O2A Ru1 C3B 129.1(2) . . ?
O1A Ru1 C3B 151.8(2) . . ?
C2B Ru1 C3B 37.6(3) . . ?
C4B Ru1 C3B 38.2(3) . . ?
N1C Ru1 C5B 150.9(3) . . ?
O2A Ru1 C5B 89.9(3) . . ?
O1A Ru1 C5B 125.7(3) . . ?
C2B Ru1 C5B 80.8(3) . . ?
C4B Ru1 C5B 39.3(3) . . ?
C3B Ru1 C5B 68.5(3) . . ?
N1C Ru1 C1B 124.0(2) . . ?
O2A Ru1 C1B 145.3(2) . . ?
O1A Ru1 C1B 91.8(2) . . ?
C2B Ru1 C1B 38.9(3) . . ?
C4B Ru1 C1B 84.2(3) . . ?
C3B Ru1 C1B 69.6(3) . . ?
C5B Ru1 C1B 69.2(3) . . ?
N1C Ru1 C6B 162.1(2) . . ?
O2A Ru1 C6B 109.9(2) . . ?
O1A Ru1 C6B 98.3(2) . . ?
C2B Ru1 C6B 68.1(3) . . ?
C4B Ru1 C6B 69.6(3) . . ?
C3B Ru1 C6B 80.3(3) . . ?
C5B Ru1 C6B 37.2(3) . . ?
C1B Ru1 C6B 38.2(3) . . ?
N5C Ru2 O3A 85.5(2) 2 . ?
N5C Ru2 O4A 82.69(19) 2 . ?
O3A Ru2 O4A 79.24(18) . . ?
N5C Ru2 C12B 97.8(3) 2 . ?
O3A Ru2 C12B 167.0(3) . . ?
O4A Ru2 C12B 113.6(3) . . ?
N5C Ru2 C13B 130.5(3) 2 . ?
O3A Ru2 C13B 142.5(3) . . ?
O4A Ru2 C13B 93.7(3) . . ?
C12B Ru2 C13B 39.2(3) . . ?
N5C Ru2 C15B 138.1(4) 2 . ?
O3A Ru2 C15B 91.1(3) . . ?
O4A Ru2 C15B 137.6(4) . . ?
C12B Ru2 C15B 78.0(4) . . ?
C13B Ru2 C15B 69.4(4) . . ?
N5C Ru2 C11B 87.5(3) 2 . ?
O3A Ru2 C11B 132.3(3) . . ?
O4A Ru2 C11B 146.1(3) . . ?
C12B Ru2 C11B 36.0(4) . . ?
C13B Ru2 C11B 68.7(4) . . ?
C15B Ru2 C11B 64.5(4) . . ?
N5C Ru2 C16B 105.3(4) 2 . ?
O3A Ru2 C16B 100.0(3) . . ?
O4A Ru2 C16B 172.0(4) . . ?
C12B Ru2 C16B 67.0(4) . . ?
C13B Ru2 C16B 82.0(4) . . ?
C15B Ru2 C16B 34.4(4) . . ?
C11B Ru2 C16B 37.7(4) . . ?
N5C Ru2 C14B 167.0(3) 2 . ?
O3A Ru2 C14B 106.7(3) . . ?
O4A Ru2 C14B 103.6(4) . . ?
C12B Ru2 C14B 69.3(3) . . ?
C13B Ru2 C14B 38.8(3) . . ?
C15B Ru2 C14B 39.9(4) . . ?
C11B Ru2 C14B 81.0(4) . . ?
C16B Ru2 C14B 68.8(5) . . ?
O3S S1S O2S 115.6(4) . . ?
O3S S1S O1S 113.5(5) . . ?
O2S S1S O1S 113.8(4) . . ?
O3S S1S C1S 104.3(4) . . ?
O2S S1S C1S 106.2(4) . . ?
O1S S1S C1S 101.6(6) . . ?
O4S S2S O6S 115.5(6) . . ?
O4S S2S O5S 115.4(5) . . ?
O6S S2S O5S 116.8(5) . . ?
O4S S2S C2S 102.4(5) . . ?
O6S S2S C2S 99.4(5) . . ?
O5S S2S C2S 103.8(4) . . ?
C1A O1A Ru1 113.1(4) . . ?
C2A O2A Ru1 114.9(4) . . ?
C1A O3A Ru2 113.6(4) . . ?
C2A O4A Ru2 112.3(4) . . ?
C1C N1C C2C 118.9(5) . . ?
C1C N1C Ru1 122.7(4) . . ?
C2C N1C Ru1 118.4(4) . . ?
C13C N2C C14C 126.9(5) . . ?
C13C N2C H2CA 116.5 . . ?
C14C N2C H2CA 116.5 . . ?
C15C N3C C19C 117.0(6) . . ?
C20C N4C C21C 128.2(5) . . ?
C20C N4C H4CA 115.9 . . ?
C21C N4C H4CA 115.9 . . ?
C32C N5C C33C 113.8(6) . . ?
C32C N5C Ru2 124.0(4) . 2 ?
C33C N5C Ru2 121.6(4) . 2 ?
O1A C1A O3A 126.4(6) . . ?
O1A C1A C2A 117.5(6) . . ?
O3A C1A C2A 116.0(6) . . ?
N1C C1C C3C 121.6(5) . . ?
N1C C1C H1CA 119.2 . . ?
C3C C1C H1CA 119.2 . . ?
C2B C1B C6B 116.0(7) . . ?
C2B C1B C7B 122.8(6) . . ?
C6B C1B C7B 121.2(6) . . ?
C2B C1B Ru1 69.7(4) . . ?
C6B C1B Ru1 71.4(4) . . ?
C7B C1B Ru1 127.1(5) . . ?
F3S C1S F2S 104.1(8) . . ?
F3S C1S F1S 102.7(8) . . ?
F2S C1S F1S 106.8(9) . . ?
F3S C1S S1S 114.8(8) . . ?
F2S C1S S1S 115.1(7) . . ?
F1S C1S S1S 112.1(7) . . ?
C3B C2B C1B 122.0(7) . . ?
C3B C2B Ru1 71.4(4) . . ?
C1B C2B Ru1 71.4(4) . . ?
C3B C2B H2BA 118.2 . . ?
C1B C2B H2BA 118.2 . . ?
Ru1 C2B H2BA 118.2 . . ?
N1C C2C C4C 121.3(6) . . ?
N1C C2C H2CB 119.4 . . ?
C4C C2C H2CB 119.4 . . ?
O2A C2A O4A 126.5(6) . . ?
O2A C2A C1A 116.1(6) . . ?
O4A C2A C1A 117.4(7) . . ?
F6S C2S F5S 109.2(8) . . ?
F6S C2S F4S 105.8(8) . . ?
F5S C2S F4S 105.7(8) . . ?
F6S C2S S2S 110.5(6) . . ?
F5S C2S S2S 113.4(7) . . ?
F4S C2S S2S 111.9(8) . . ?
C5C C3C C1C 119.7(6) . . ?
C5C C3C H3CB 120.1 . . ?
C1C C3C H3CB 120.1 . . ?
C2B C3B C4B 122.2(7) . . ?
C2B C3B Ru1 71.0(4) . . ?
C4B C3B Ru1 70.9(5) . . ?
C2B C3B H3BA 117.9 . . ?
C4B C3B H3BA 117.9 . . ?
Ru1 C3B H3BA 117.9 . . ?
C5C C4C C2C 120.3(5) . . ?
C5C C4C H4CB 119.8 . . ?
C2C C4C H4CB 119.8 . . ?
C3B C4B C5B 116.1(7) . . ?
C3B C4B C8B 124.8(8) . . ?
C5B C4B C8B 119.0(8) . . ?
C3B C4B Ru1 70.8(4) . . ?
C5B C4B Ru1 70.6(4) . . ?
C8B C4B Ru1 126.9(7) . . ?
C3C C5C C4C 118.2(6) . . ?
C3C C5C C6C 122.5(6) . . ?
C4C C5C C6C 119.3(6) . . ?
C6B C5B C4B 121.5(7) . . ?
C6B C5B Ru1 72.3(4) . . ?
C4B C5B Ru1 70.1(4) . . ?
C6B C5B H5BA 118.4 . . ?
C4B C5B H5BA 118.4 . . ?
Ru1 C5B H5BA 118.4 . . ?
C7C C6C C5C 178.8(10) . . ?
C5B C6B C1B 121.9(7) . . ?
C5B C6B Ru1 70.5(4) . . ?
C1B C6B Ru1 70.4(4) . . ?
C5B C6B H6BA 117.8 . . ?
C1B C6B H6BA 117.8 . . ?
Ru1 C6B H6BA 117.8 . . ?
C6C C7C C8C 176.4(8) . . ?
C1B C7B H7BA 109.5 . . ?
C1B C7B H7BB 109.5 . . ?
H7BA C7B H7BB 109.5 . . ?
C1B C7B H7BC 109.5 . . ?
H7BA C7B H7BC 109.5 . . ?
H7BB C7B H7BC 109.5 . . ?
C9C C8C C7C 123.4(7) . . ?
C9C C8C C10C 117.5(6) . . ?
C7C C8C C10C 119.1(7) . . ?
C9B C8B C10B 117.3(10) . . ?
C9B C8B C4B 114.6(10) . . ?
C10B C8B C4B 115.5(8) . . ?
C9B C8B H8BA 101.9 . . ?
C10B C8B H8BA 101.9 . . ?
C4B C8B H8BA 101.9 . . ?
C8C C9C C11C 124.5(7) . . ?
C8C C9C H9CA 117.7 . . ?
C11C C9C H9CA 117.7 . . ?
C8B C9B H9BA 109.5 . . ?
C8B C9B H9BB 109.5 . . ?
H9BA C9B H9BB 109.5 . . ?
C8B C9B H9BC 109.5 . . ?
H9BA C9B H9BC 109.5 . . ?
H9BB C9B H9BC 109.5 . . ?
C12C C10C C8C 119.7(7) . . ?
C12C C10C H10A 120.1 . . ?
C8C C10C H10A 120.1 . . ?
C8B C10B H10B 109.5 . . ?
C8B C10B H10C 109.5 . . ?
H10B C10B H10C 109.5 . . ?
C8B C10B H10D 109.5 . . ?
H10B C10B H10D 109.5 . . ?
H10C C10B H10D 109.5 . . ?
C9C C11C C13C 118.9(7) . . ?
C9C C11C H11A 120.5 . . ?
C13C C11C H11A 120.5 . . ?
C12B C11B C16B 120.8(10) . . ?
C12B C11B C17B 120.9(10) . . ?
C16B C11B C17B 118.0(11) . . ?
C12B C11B Ru2 70.7(5) . . ?
C16B C11B Ru2 71.1(6) . . ?
C17B C11B Ru2 125.7(7) . . ?
C10C C12C C13C 120.2(7) . . ?
C10C C12C H12A 119.9 . . ?
C13C C12C H12A 119.9 . . ?
C11B C12B C13B 123.5(9) . . ?
C11B C12B Ru2 73.4(5) . . ?
C13B C12B Ru2 71.5(4) . . ?
C11B C12B H12B 117.6 . . ?
C13B C12B H12B 117.6 . . ?
Ru2 C12B H12B 117.6 . . ?
N2C C13C C11C 124.3(6) . . ?
N2C C13C C12C 116.5(6) . . ?
C11C C13C C12C 119.1(6) . . ?
C14B C13B C12B 116.6(9) . . ?
C14B C13B Ru2 71.7(4) . . ?
C12B C13B Ru2 69.3(4) . . ?
C14B C13B H13A 121.4 . . ?
C12B C13B H13A 121.4 . . ?
Ru2 C13B H13A 121.4 . . ?
O1C C14C N2C 125.1(6) . . ?
O1C C14C C15C 120.2(6) . . ?
N2C C14C C15C 114.6(5) . . ?
C18B C14B C13B 120.6(12) . . ?
C18B C14B C15B 125.3(11) . . ?
C13B C14B C15B 114.1(9) . . ?
C18B C14B Ru2 130.2(8) . . ?
C13B C14B Ru2 69.4(5) . . ?
C15B C14B Ru2 68.8(5) . . ?
N3C C15C C16C 122.9(6) . . ?
N3C C15C C14C 117.7(6) . . ?
C16C C15C C14C 119.4(6) . . ?
C16B C15B C14B 125.9(10) . . ?
C16B C15B Ru2 73.0(7) . . ?
C14B C15B Ru2 71.3(5) . . ?
C16B C15B H15A 115.9 . . ?
C14B C15B H15A 115.9 . . ?
Ru2 C15B H15A 115.9 . . ?
C15C C16C C17C 118.6(6) . . ?
C15C C16C H16A 120.7 . . ?
C17C C16C H16A 120.7 . . ?
C15B C16B C11B 119.0(10) . . ?
C15B C16B Ru2 72.6(7) . . ?
C11B C16B Ru2 71.2(6) . . ?
C15B C16B H16B 120.2 . . ?
C11B C16B H16B 120.2 . . ?
Ru2 C16B H16B 120.2 . . ?
C16C C17C C18C 118.4(7) . . ?
C16C C17C H17A 120.8 . . ?
C18C C17C H17A 120.8 . . ?
C11B C17B H17B 109.5 . . ?
C11B C17B H17C 109.5 . . ?
H17B C17B H17C 109.5 . . ?
C11B C17B H17D 109.5 . . ?
H17B C17B H17D 109.5 . . ?
H17C C17B H17D 109.5 . . ?
C19C C18C C17C 119.0(6) . . ?
C19C C18C H18A 120.5 . . ?
C17C C18C H18A 120.5 . . ?
C19B C18B C14B 114.5(16) . . ?
C19B C18B C20B 120.9(15) . . ?
C14B C18B C20B 100.9(12) . . ?
C19B C18B H18B 106.5 . . ?
C14B C18B H18B 106.5 . . ?
C20B C18B H18B 106.5 . . ?
C18C C19C N3C 124.1(6) . . ?
C18C C19C C20C 119.3(6) . . ?
N3C C19C C20C 116.5(6) . . ?
C18B C19B H19A 109.5 . . ?
C18B C19B H19B 109.5 . . ?
H19A C19B H19B 109.5 . . ?
C18B C19B H19C 109.5 . . ?
H19A C19B H19C 109.5 . . ?
H19B C19B H19C 109.5 . . ?
O2C C20C N4C 124.2(6) . . ?
O2C C20C C19C 120.4(6) . . ?
N4C C20C C19C 115.4(5) . . ?
C18B C20B H20A 109.5 . . ?
C18B C20B H20B 109.5 . . ?
H20A C20B H20B 109.5 . . ?
C18B C20B H20C 109.5 . . ?
H20A C20B H20C 109.5 . . ?
H20B C20B H20C 109.5 . . ?
C23C C21C N4C 123.1(6) . . ?
C23C C21C C22C 118.7(6) . . ?
N4C C21C C22C 118.2(5) . . ?
C24C C22C C21C 122.0(6) . . ?
C24C C22C H22A 119.0 . . ?
C21C C22C H22A 119.0 . . ?
C25C C23C C21C 118.7(6) . . ?
C25C C23C H23A 120.6 . . ?
C21C C23C H23A 120.6 . . ?
C22C C24C C26C 119.2(6) . . ?
C22C C24C H24A 120.4 . . ?
C26C C24C H24A 120.4 . . ?
C26C C25C C23C 122.4(6) . . ?
C26C C25C H25A 118.8 . . ?
C23C C25C H25A 118.8 . . ?
C25C C26C C27C 124.2(6) . . ?
C25C C26C C24C 118.9(6) . . ?
C27C C26C C24C 116.9(6) . . ?
C28C C27C C26C 177.1(8) . . ?
C27C C28C C29C 171.8(8) . . ?
C28C C29C C31C 120.5(6) . . ?
C28C C29C C30C 124.2(6) . . ?
C31C C29C C30C 115.2(6) . . ?
C32C C30C C29C 121.3(6) . . ?
C32C C30C H30A 119.3 . . ?
C29C C30C H30A 119.3 . . ?
C33C C31C C29C 120.6(6) . . ?
C33C C31C H31A 119.7 . . ?
C29C C31C H31A 119.7 . . ?
C30C C32C N5C 123.6(6) . . ?
C30C C32C H32A 118.2 . . ?
N5C C32C H32A 118.2 . . ?
C31C C33C N5C 125.3(6) . . ?
C31C C33C H33A 117.3 . . ?
N5C C33C H33A 117.3 . . ?
O1AC C1AC C2AC 118.8(15) . . ?
O1AC C1AC C3AC 129.2(16) . . ?
C2AC C1AC C3AC 111.5(16) . . ?
O4AC C4AC C6AC 127.7(17) . . ?
O4AC C4AC C5AC 106.0(16) . . ?
C6AC C4AC C5AC 125.0(14) . . ?
C1M O1M C1M 179.999(12) . 5_546 ?

_diffrn_measured_fraction_theta_max 0.771
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.965
_refine_diff_density_max         1.688
_refine_diff_density_min         -1.102
_refine_diff_density_rms         0.145
_database_code_depnum_ccdc_archive 'CCDC 899538'