# Electronic Supplementary Material (ESI) for New Journal of Chemistry
# This journal is © The Royal Society of Chemistry and The Centre National de la Recherche Scientifique 2013

#######################################################################
#
#                 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_remy240112

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

_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C74 H59 N10 O2 P2 Ru2, 3(F6 P)'
_chemical_formula_sum            'C74 H59 F18 N10 O2 P5 Ru2'
_chemical_formula_weight         1819.3
_chemical_compound_source        'synthesis as described'

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

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_Int_Tables_number      15
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                   17.2568(6)
_cell_length_b                   29.2556(13)
_cell_length_c                   15.1819(5)
_cell_angle_alpha                90
_cell_angle_beta                 100.457(3)
_cell_angle_gamma                90
_cell_volume                     7537.4(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    180(2)
_cell_measurement_reflns_used    6032
_cell_measurement_theta_min      3.8743
_cell_measurement_theta_max      60.738
_cell_measurement_wavelength     1.5418

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

_exptl_crystal_description       stick
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.03
_exptl_crystal_density_diffrn    1.603
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3656
_exptl_special_details           
;
 ?
;

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

_exptl_absorpt_coefficient_mu    5.115
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
        (compiled Oct 27 2011,15:02:11)
        Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_correction_T_min  0.5714
_exptl_absorpt_correction_T_max  0.8657

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

_diffrn_ambient_temperature      180(2)
_diffrn_radiation_wavelength     1.5418
_diffrn_radiation_type           CuK\a
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_detector_area_resol_mean 16.1978
_diffrn_orient_matrix_ub_11      0.0894439
_diffrn_orient_matrix_ub_12      0.004949
_diffrn_orient_matrix_ub_13      0.0037498
_diffrn_orient_matrix_ub_21      -0.0000256
_diffrn_orient_matrix_ub_22      0.0438609
_diffrn_orient_matrix_ub_23      0.0561088
_diffrn_orient_matrix_ub_31      0.0158027
_diffrn_orient_matrix_ub_32      -0.0286809
_diffrn_orient_matrix_ub_33      0.0864993
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini ultra'
_diffrn_measurement_method       '\w scans'
_diffrn_reflns_av_R_equivalents  0.0402
_diffrn_reflns_av_unetI/netI     0.0461
_diffrn_reflns_number            16962
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         3.88
_diffrn_reflns_theta_max         60.82
_diffrn_reflns_theta_full        60.82
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_reflns_number_total             5658
_reflns_number_gt                4483
_reflns_threshold_expression     >2\s(I)

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

_computing_data_collection       
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
        (compiled Oct 27 2011,15:02:11)
;
_computing_cell_refinement       
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
        (compiled Oct 27 2011,15:02:11)
;
_computing_data_reduction        
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
        (compiled Oct 27 2011,15:02:11)
;
_computing_structure_solution    'SIR92 (Giacovazzo et al, 1993)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

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

_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom

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

_refine_special_details          
;
 Refinement of 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^ > 2\s(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.
;
_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^)+(0.1233P)^2^+63.2511P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_number_reflns         5658
_refine_ls_number_parameters     513
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0866
_refine_ls_R_factor_gt           0.0681
_refine_ls_wR_factor_ref         0.2074
_refine_ls_wR_factor_gt          0.19
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_diff_density_max         1.559
_refine_diff_density_min         -0.986
_refine_diff_density_rms         0.144

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

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.296 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C11 C 0.0898(4) 0.0779(3) 0.0100(4) 0.0314(16) Uani 1 1 d . . .
H11 H 0.0678 0.1077 0.0091 0.038 Uiso 1 1 calc R . .
C12 C 0.0516(4) 0.0449(3) -0.0477(5) 0.0332(17) Uani 1 1 d . . .
H12 H 0.0047 0.0522 -0.0885 0.04 Uiso 1 1 calc R . .
C13 C 0.0823(4) 0.0015(3) -0.0451(4) 0.0303(16) Uani 1 1 d . . .
H13 H 0.0559 -0.0217 -0.0828 0.036 Uiso 1 1 calc R . .
C14 C 0.1519(4) -0.0081(3) 0.0126(4) 0.0310(16) Uani 1 1 d . . .
H14 H 0.1741 -0.0378 0.0147 0.037 Uiso 1 1 calc R . .
C15 C 0.1888(4) 0.0263(3) 0.0675(4) 0.0297(15) Uani 1 1 d . . .
C16 C 0.2657(4) 0.0203(3) 0.1290(5) 0.0322(16) Uani 1 1 d . . .
C17 C 0.3100(4) -0.0192(3) 0.1431(5) 0.0419(19) Uani 1 1 d . . .
H17 H 0.2935 -0.0463 0.1104 0.05 Uiso 1 1 calc R . .
C18 C 0.3790(4) -0.0186(3) 0.2057(5) 0.044(2) Uani 1 1 d . . .
H18 H 0.4096 -0.0456 0.2179 0.053 Uiso 1 1 calc R . .
C19 C 0.4029(4) 0.0211(3) 0.2502(5) 0.047(2) Uani 1 1 d . . .
H19 H 0.4504 0.0216 0.2931 0.056 Uiso 1 1 calc R . .
C20 C 0.3585(4) 0.0603(3) 0.2329(5) 0.0393(19) Uani 1 1 d . . .
C21 C 0.3756(5) 0.1061(3) 0.2718(6) 0.047(2) Uani 1 1 d . . .
C22 C 0.4448(5) 0.1170(4) 0.3314(6) 0.061(3) Uani 1 1 d . . .
H22 H 0.4829 0.0941 0.3513 0.073 Uiso 1 1 calc R . .
C23 C 0.4572(6) 0.1611(5) 0.3610(8) 0.083(4) Uani 1 1 d . . .
H23 H 0.5041 0.1689 0.4013 0.099 Uiso 1 1 calc R . .
C24 C 0.4015(7) 0.1937(4) 0.3320(7) 0.073(3) Uani 1 1 d . . .
H24 H 0.4099 0.2245 0.3515 0.088 Uiso 1 1 calc R . .
C25 C 0.3325(6) 0.1815(3) 0.2737(6) 0.058(2) Uani 1 1 d . . .
H25 H 0.2939 0.2043 0.2544 0.07 Uiso 1 1 calc R . .
C1 C 0.3309(5) 0.1225(3) 0.0148(6) 0.047(2) Uani 1 1 d . . .
H1 H 0.3607 0.0987 0.0473 0.056 Uiso 1 1 calc R . .
C2 C 0.3522(5) 0.1386(4) -0.0630(6) 0.056(2) Uani 1 1 d . . .
H2 H 0.3971 0.1265 -0.0828 0.068 Uiso 1 1 calc R . .
C3 C 0.3082(6) 0.1719(3) -0.1112(6) 0.061(3) Uani 1 1 d . . .
H3 H 0.3214 0.1825 -0.1657 0.073 Uiso 1 1 calc R . .
C4 C 0.2439(6) 0.1901(3) -0.0800(6) 0.052(2) Uani 1 1 d . . .
H4 H 0.213 0.2135 -0.1127 0.063 Uiso 1 1 calc R . .
C5 C 0.2255(5) 0.1738(3) -0.0003(5) 0.0413(19) Uani 1 1 d . . .
C6 C 0.1619(5) 0.1917(3) 0.0411(5) 0.0399(18) Uani 1 1 d . . .
C7 C 0.1114(6) 0.2264(3) 0.0039(6) 0.053(2) Uani 1 1 d . . .
H7 H 0.1163 0.239 -0.0525 0.063 Uiso 1 1 calc R . .
C8 C 0.0546(6) 0.2424(3) 0.0481(7) 0.059(2) Uani 1 1 d . . .
H8 H 0.0196 0.2659 0.0224 0.07 Uiso 1 1 calc R . .
C9 C 0.0487(6) 0.2243(3) 0.1300(6) 0.057(2) Uani 1 1 d . . .
H9 H 0.0108 0.2357 0.1627 0.068 Uiso 1 1 calc R . .
C10 C 0.0987(6) 0.1896(3) 0.1636(6) 0.052(2) Uani 1 1 d . . .
H10 H 0.094 0.1771 0.2203 0.062 Uiso 1 1 calc R . .
C26 C 0.1662(5) 0.1115(3) 0.3737(5) 0.0387(18) Uani 1 1 d . . .
C27 C 0.1014(5) 0.1227(3) 0.4136(5) 0.0413(19) Uani 1 1 d . . .
H27 H 0.0493 0.1201 0.3803 0.05 Uiso 1 1 calc R . .
C28 C 0.1139(6) 0.1376(3) 0.5024(6) 0.053(2) Uani 1 1 d . . .
H28 H 0.0702 0.1458 0.5292 0.064 Uiso 1 1 calc R . .
C29 C 0.1892(6) 0.1406(3) 0.5515(6) 0.056(2) Uani 1 1 d . . .
H29 H 0.1969 0.1497 0.6125 0.067 Uiso 1 1 calc R . .
C30 C 0.2530(6) 0.1306(3) 0.5128(6) 0.051(2) Uani 1 1 d . . .
H30 H 0.3049 0.1336 0.5463 0.061 Uiso 1 1 calc R . .
C31 C 0.2414(5) 0.1161(3) 0.4242(5) 0.044(2) Uani 1 1 d . . .
H31 H 0.2858 0.1092 0.3977 0.053 Uiso 1 1 calc R . .
C32 C 0.1648(4) 0.0271(3) 0.2833(4) 0.0293(16) Uani 1 1 d . . .
C33 C 0.2330(4) 0.0100(3) 0.3375(5) 0.0340(17) Uani 1 1 d . . .
H33 H 0.2714 0.0308 0.3672 0.041 Uiso 1 1 calc R . .
C34 C 0.2454(4) -0.0365(3) 0.3486(5) 0.0384(18) Uani 1 1 d . . .
H34 H 0.2925 -0.0473 0.385 0.046 Uiso 1 1 calc R . .
C35 C 0.1899(5) -0.0672(3) 0.3074(5) 0.0408(18) Uani 1 1 d . . .
H35 H 0.1985 -0.0991 0.3155 0.049 Uiso 1 1 calc R . .
C36 C 0.1212(4) -0.0513(3) 0.2537(5) 0.0358(17) Uani 1 1 d . . .
H36 H 0.0824 -0.0722 0.2257 0.043 Uiso 1 1 calc R . .
C37 C 0.1096(4) -0.0048(3) 0.2411(4) 0.0311(16) Uani 1 1 d . . .
H37 H 0.0632 0.0057 0.2031 0.037 Uiso 1 1 calc R . .
N3 N 0.1574(3) 0.0690(2) 0.0673(4) 0.0293(13) Uani 1 1 d . . .
N4 N 0.2897(3) 0.0591(2) 0.1734(4) 0.0335(14) Uani 1 1 d . . .
N5 N 0.3190(4) 0.1385(2) 0.2441(4) 0.0457(17) Uani 1 1 d . . .
N1 N 0.2689(4) 0.1401(2) 0.0454(4) 0.0418(16) Uani 1 1 d . . .
N2 N 0.1545(4) 0.1718(2) 0.1207(4) 0.0390(15) Uani 1 1 d . . .
F13 F 0.4543(3) 0.0337(2) 0.0575(3) 0.0614(14) Uani 1 1 d . . .
F14 F 0.5180(3) -0.0345(2) 0.0827(3) 0.0627(15) Uani 1 1 d . . .
F15 F 0.4193(3) -0.0262(2) -0.0370(3) 0.0625(15) Uani 1 1 d . . .
P1 P 0.14954(10) 0.08760(7) 0.25950(12) 0.0309(4) Uani 1 1 d . . .
P2 P 0 0.18348(14) 0.75 0.0971(18) Uani 1 2 d S . .
P3 P 0.4686(3) -0.15864(18) 0.2169(4) 0.0686(16) Uani 0.5 1 d P . .
P4 P 0.5 0 0 0.0515(9) Uani 1 2 d S . .
Ru1 Ru 0.22260(3) 0.11371(2) 0.15573(3) 0.0332(2) Uani 1 1 d . . .
F1 F 0.0145(5) 0.1457(3) 0.8239(4) 0.110(3) Uani 1 1 d . A .
F2A F 0.0423(8) 0.2275(4) 0.7974(8) 0.095(2) Uani 0.58 1 d P A 1
F3A F 0.0969(8) 0.1690(4) 0.7460(8) 0.095(2) Uani 0.58 1 d P A 1
F3B F -0.0233(11) 0.2080(6) 0.8498(11) 0.095(2) Uani 0.42 1 d P A 2
F2B F 0.0759(11) 0.1995(6) 0.7772(11) 0.095(2) Uani 0.42 1 d P A 2
F7 F 0.5111(10) -0.1146(5) 0.2226(17) 0.166(8) Uani 0.5 1 d P . .
F9 F 0.5065(15) -0.1647(5) 0.1612(18) 0.47(2) Uani 1 1 d . . .
F8 F 0.3945(12) -0.1302(5) 0.2172(14) 0.298(12) Uani 1 1 d . . .
F10 F 0.4376(10) -0.1979(6) 0.2406(19) 0.166(8) Uani 0.5 1 d P . .
O1 O 0.0601(3) 0.09256(17) 0.2200(3) 0.0335(11) Uani 1 1 d . . .
H1B H 0 0.086(4) 0.25 0.04 Uiso 1 2 d S . .

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
C11 0.038(4) 0.036(4) 0.023(4) 0.001(3) 0.013(3) 0.000(3)
C12 0.031(4) 0.050(5) 0.021(3) 0.002(3) 0.012(3) -0.001(3)
C13 0.028(4) 0.043(4) 0.022(3) -0.003(3) 0.009(3) -0.011(3)
C14 0.036(4) 0.036(4) 0.026(4) -0.002(3) 0.020(3) -0.006(3)
C15 0.030(4) 0.040(4) 0.022(3) -0.002(3) 0.015(3) -0.005(3)
C16 0.030(4) 0.047(4) 0.024(3) 0.000(3) 0.015(3) -0.003(3)
C17 0.036(4) 0.062(5) 0.032(4) 0.000(4) 0.019(3) 0.007(4)
C18 0.032(4) 0.070(6) 0.035(4) 0.001(4) 0.019(3) 0.011(4)
C19 0.027(4) 0.083(7) 0.035(4) 0.000(4) 0.019(3) -0.003(4)
C20 0.029(4) 0.063(5) 0.030(4) -0.005(4) 0.017(3) -0.009(4)
C21 0.037(4) 0.068(6) 0.041(5) -0.002(4) 0.021(4) -0.012(4)
C22 0.034(5) 0.098(8) 0.049(5) -0.020(5) 0.007(4) -0.019(5)
C23 0.052(6) 0.110(10) 0.081(8) -0.021(7) -0.001(6) -0.034(7)
C24 0.073(7) 0.076(7) 0.068(7) -0.021(6) 0.006(6) -0.040(6)
C25 0.070(6) 0.061(6) 0.045(5) -0.002(5) 0.012(5) -0.020(5)
C1 0.045(5) 0.061(6) 0.039(5) -0.010(4) 0.021(4) -0.021(4)
C2 0.054(5) 0.072(7) 0.050(5) -0.009(5) 0.029(5) -0.026(5)
C3 0.084(7) 0.065(6) 0.041(5) 0.000(5) 0.031(5) -0.034(6)
C4 0.078(6) 0.046(5) 0.038(5) 0.002(4) 0.025(4) -0.025(5)
C5 0.051(5) 0.039(4) 0.035(4) -0.003(4) 0.014(4) -0.020(4)
C6 0.058(5) 0.036(4) 0.028(4) -0.005(3) 0.013(4) -0.015(4)
C7 0.075(6) 0.043(5) 0.043(5) 0.005(4) 0.018(5) -0.010(5)
C8 0.073(6) 0.045(5) 0.060(6) 0.007(5) 0.016(5) 0.000(5)
C9 0.071(6) 0.043(5) 0.062(6) -0.001(4) 0.027(5) 0.006(5)
C10 0.075(6) 0.039(5) 0.046(5) 0.000(4) 0.026(5) -0.002(4)
C26 0.051(5) 0.036(4) 0.034(4) -0.001(3) 0.019(4) -0.008(3)
C27 0.053(5) 0.038(4) 0.037(4) -0.004(3) 0.021(4) -0.003(4)
C28 0.075(6) 0.050(5) 0.041(5) -0.019(4) 0.028(5) -0.007(5)
C29 0.087(7) 0.047(5) 0.036(5) -0.018(4) 0.020(5) -0.023(5)
C30 0.069(6) 0.051(5) 0.036(5) -0.008(4) 0.016(4) -0.019(4)
C31 0.053(5) 0.048(5) 0.035(4) -0.006(4) 0.017(4) -0.015(4)
C32 0.030(4) 0.045(4) 0.018(3) 0.001(3) 0.015(3) -0.001(3)
C33 0.028(4) 0.053(5) 0.024(4) -0.006(3) 0.015(3) -0.001(3)
C34 0.031(4) 0.058(5) 0.029(4) 0.004(4) 0.014(3) 0.009(4)
C35 0.049(5) 0.041(4) 0.037(4) 0.004(4) 0.022(4) 0.005(4)
C36 0.039(4) 0.042(5) 0.030(4) -0.001(3) 0.015(3) -0.001(3)
C37 0.031(4) 0.045(4) 0.021(3) -0.001(3) 0.013(3) -0.006(3)
N3 0.032(3) 0.040(3) 0.020(3) 0.001(3) 0.017(2) -0.002(3)
N4 0.025(3) 0.054(4) 0.024(3) -0.002(3) 0.010(2) -0.009(3)
N5 0.051(4) 0.053(4) 0.038(4) -0.010(3) 0.020(3) -0.027(4)
N1 0.044(4) 0.053(4) 0.032(3) -0.004(3) 0.016(3) -0.022(3)
N2 0.054(4) 0.037(4) 0.029(3) -0.004(3) 0.014(3) -0.012(3)
F13 0.043(3) 0.104(4) 0.041(3) -0.002(3) 0.019(2) 0.011(3)
F14 0.052(3) 0.104(4) 0.035(3) 0.014(3) 0.015(2) 0.008(3)
F15 0.036(2) 0.112(4) 0.042(3) 0.003(3) 0.013(2) 0.003(3)
P1 0.0333(9) 0.0391(11) 0.0235(9) -0.0030(8) 0.0137(7) -0.0050(8)
P2 0.123(4) 0.044(2) 0.097(3) 0 -0.054(3) 0
P3 0.084(4) 0.063(3) 0.076(4) 0.024(3) 0.060(3) 0.027(3)
P4 0.0312(15) 0.096(3) 0.0296(15) 0.0071(16) 0.0128(12) 0.0085(15)
Ru1 0.0368(4) 0.0413(4) 0.0249(3) -0.0026(2) 0.0146(2) -0.0101(2)
F1 0.150(7) 0.129(6) 0.053(4) 0.017(4) 0.026(4) 0.002(5)
F2A 0.117(6) 0.081(5) 0.079(5) -0.019(4) -0.006(4) 0.012(4)
F3A 0.117(6) 0.081(5) 0.079(5) -0.019(4) -0.006(4) 0.012(4)
F3B 0.117(6) 0.081(5) 0.079(5) -0.019(4) -0.006(4) 0.012(4)
F2B 0.117(6) 0.081(5) 0.079(5) -0.019(4) -0.006(4) 0.012(4)
F7 0.110(8) 0.105(8) 0.33(2) 0.131(11) 0.175(12) 0.074(7)
F9 0.73(4) 0.188(13) 0.70(4) -0.255(19) 0.70(4) -0.242(19)
F8 0.40(2) 0.202(13) 0.39(2) 0.146(15) 0.32(2) 0.157(15)
F10 0.110(8) 0.105(8) 0.33(2) 0.131(11) 0.175(12) 0.074(7)
O1 0.033(3) 0.041(3) 0.030(3) 0.000(2) 0.017(2) 0.002(2)


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

_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C11 N3 1.348(9) . ?
C11 C12 1.388(10) . ?
C11 H11 0.95 . ?
C12 C13 1.373(10) . ?
C12 H12 0.95 . ?
C13 C14 1.381(10) . ?
C13 H13 0.95 . ?
C14 C15 1.385(10) . ?
C14 H14 0.95 . ?
C15 N3 1.359(9) . ?
C15 C16 1.489(10) . ?
C16 N4 1.347(9) . ?
C16 C17 1.381(11) . ?
C17 C18 1.382(11) . ?
C17 H17 0.95 . ?
C18 C19 1.368(12) . ?
C18 H18 0.95 . ?
C19 C20 1.381(12) . ?
C19 H19 0.95 . ?
C20 N4 1.355(9) . ?
C20 C21 1.472(12) . ?
C21 N5 1.370(11) . ?
C21 C22 1.398(12) . ?
C22 C23 1.368(15) . ?
C22 H22 0.95 . ?
C23 C24 1.369(17) . ?
C23 H23 0.95 . ?
C24 C25 1.396(14) . ?
C24 H24 0.95 . ?
C25 N5 1.344(11) . ?
C25 H25 0.95 . ?
C1 N1 1.344(11) . ?
C1 C2 1.382(12) . ?
C1 H1 0.95 . ?
C2 C3 1.363(14) . ?
C2 H2 0.95 . ?
C3 C4 1.389(14) . ?
C3 H3 0.95 . ?
C4 C5 1.391(11) . ?
C4 H4 0.95 . ?
C5 N1 1.352(11) . ?
C5 C6 1.457(11) . ?
C6 N2 1.368(10) . ?
C6 C7 1.390(12) . ?
C7 C8 1.367(13) . ?
C7 H7 0.95 . ?
C8 C9 1.373(13) . ?
C8 H8 0.95 . ?
C9 C10 1.371(13) . ?
C9 H9 0.95 . ?
C10 N2 1.361(11) . ?
C10 H10 0.95 . ?
C26 C31 1.389(12) . ?
C26 C27 1.405(11) . ?
C26 P1 1.842(8) . ?
C27 C28 1.397(11) . ?
C27 H27 0.95 . ?
C28 C29 1.378(13) . ?
C28 H28 0.95 . ?
C29 C30 1.370(13) . ?
C29 H29 0.95 . ?
C30 C31 1.389(11) . ?
C30 H30 0.95 . ?
C31 H31 0.95 . ?
C32 C33 1.400(10) . ?
C32 C37 1.402(10) . ?
C32 P1 1.817(8) . ?
C33 C34 1.382(11) . ?
C33 H33 0.95 . ?
C34 C35 1.379(11) . ?
C34 H34 0.95 . ?
C35 C36 1.392(11) . ?
C35 H35 0.95 . ?
C36 C37 1.381(11) . ?
C36 H36 0.95 . ?
C37 H37 0.95 . ?
N3 Ru1 2.057(6) . ?
N4 Ru1 1.963(6) . ?
N5 Ru1 2.069(7) . ?
N1 Ru1 2.126(6) . ?
N2 Ru1 2.079(7) . ?
F13 P4 1.614(5) . ?
F14 P4 1.598(5) . ?
F15 P4 1.599(5) . ?
P1 O1 1.559(5) . ?
P1 Ru1 2.3186(18) . ?
P2 F2B 1.381(18) . ?
P2 F2B 1.381(18) 2_556 ?
P2 F1 1.563(8) 2_556 ?
P2 F1 1.563(8) . ?
P2 F2A 1.587(12) 2_556 ?
P2 F2A 1.587(12) . ?
P2 F3A 1.736(13) 2_556 ?
P2 F3A 1.736(13) . ?
P2 F3B 1.787(17) 2_556 ?
P2 F3B 1.787(17) . ?
P3 F9 1.173(9) . ?
P3 P3 1.337(12) 2_655 ?
P3 F10 1.342(16) . ?
P3 F7 1.477(19) . ?
P3 F8 1.526(14) . ?
P3 F7 1.583(15) 2_655 ?
P3 F9 1.83(3) 2_655 ?
P3 F10 1.99(2) 2_655 ?
P4 F14 1.598(5) 5_655 ?
P4 F15 1.599(5) 5_655 ?
P4 F13 1.614(5) 5_655 ?
F7 F7 0.98(4) 2_655 ?
F7 P3 1.583(15) 2_655 ?
F7 F9 1.73(3) . ?
F7 F8 1.78(3) 2_655 ?
F9 P3 1.83(3) 2_655 ?
F8 F7 1.78(3) 2_655 ?
F10 P3 1.99(2) 2_655 ?
O1 H1B 1.218(16) . ?

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
N3 C11 C12 121.9(7) . . ?
N3 C11 H11 119 . . ?
C12 C11 H11 119 . . ?
C13 C12 C11 119.2(7) . . ?
C13 C12 H12 120.4 . . ?
C11 C12 H12 120.4 . . ?
C12 C13 C14 119.5(7) . . ?
C12 C13 H13 120.2 . . ?
C14 C13 H13 120.2 . . ?
C13 C14 C15 119.1(7) . . ?
C13 C14 H14 120.5 . . ?
C15 C14 H14 120.5 . . ?
N3 C15 C14 121.7(6) . . ?
N3 C15 C16 114.8(6) . . ?
C14 C15 C16 123.4(7) . . ?
N4 C16 C17 121.1(7) . . ?
N4 C16 C15 111.8(6) . . ?
C17 C16 C15 127.1(7) . . ?
C16 C17 C18 118.6(8) . . ?
C16 C17 H17 120.7 . . ?
C18 C17 H17 120.7 . . ?
C19 C18 C17 119.7(8) . . ?
C19 C18 H18 120.1 . . ?
C17 C18 H18 120.1 . . ?
C18 C19 C20 120.3(8) . . ?
C18 C19 H19 119.8 . . ?
C20 C19 H19 119.8 . . ?
N4 C20 C19 119.5(8) . . ?
N4 C20 C21 112.4(7) . . ?
C19 C20 C21 128.1(7) . . ?
N5 C21 C22 121.3(9) . . ?
N5 C21 C20 115.1(7) . . ?
C22 C21 C20 123.6(9) . . ?
C23 C22 C21 119.4(10) . . ?
C23 C22 H22 120.3 . . ?
C21 C22 H22 120.3 . . ?
C22 C23 C24 119.5(10) . . ?
C22 C23 H23 120.2 . . ?
C24 C23 H23 120.2 . . ?
C23 C24 C25 119.6(10) . . ?
C23 C24 H24 120.2 . . ?
C25 C24 H24 120.2 . . ?
N5 C25 C24 121.8(10) . . ?
N5 C25 H25 119.1 . . ?
C24 C25 H25 119.1 . . ?
N1 C1 C2 121.1(9) . . ?
N1 C1 H1 119.4 . . ?
C2 C1 H1 119.4 . . ?
C3 C2 C1 119.6(9) . . ?
C3 C2 H2 120.2 . . ?
C1 C2 H2 120.2 . . ?
C2 C3 C4 119.5(8) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C3 C4 C5 119.2(9) . . ?
C3 C4 H4 120.4 . . ?
C5 C4 H4 120.4 . . ?
N1 C5 C4 120.3(8) . . ?
N1 C5 C6 115.6(7) . . ?
C4 C5 C6 124.1(8) . . ?
N2 C6 C7 121.2(7) . . ?
N2 C6 C5 115.2(7) . . ?
C7 C6 C5 123.6(7) . . ?
C8 C7 C6 120.2(8) . . ?
C8 C7 H7 119.9 . . ?
C6 C7 H7 119.9 . . ?
C7 C8 C9 119.4(9) . . ?
C7 C8 H8 120.3 . . ?
C9 C8 H8 120.3 . . ?
C10 C9 C8 118.6(9) . . ?
C10 C9 H9 120.7 . . ?
C8 C9 H9 120.7 . . ?
N2 C10 C9 123.9(8) . . ?
N2 C10 H10 118.1 . . ?
C9 C10 H10 118.1 . . ?
C31 C26 C27 118.4(7) . . ?
C31 C26 P1 121.9(6) . . ?
C27 C26 P1 119.6(6) . . ?
C28 C27 C26 119.6(8) . . ?
C28 C27 H27 120.2 . . ?
C26 C27 H27 120.2 . . ?
C29 C28 C27 120.5(8) . . ?
C29 C28 H28 119.8 . . ?
C27 C28 H28 119.8 . . ?
C30 C29 C28 120.5(8) . . ?
C30 C29 H29 119.8 . . ?
C28 C29 H29 119.8 . . ?
C29 C30 C31 119.6(9) . . ?
C29 C30 H30 120.2 . . ?
C31 C30 H30 120.2 . . ?
C26 C31 C30 121.4(8) . . ?
C26 C31 H31 119.3 . . ?
C30 C31 H31 119.3 . . ?
C33 C32 C37 117.4(7) . . ?
C33 C32 P1 122.7(6) . . ?
C37 C32 P1 119.7(5) . . ?
C34 C33 C32 121.1(7) . . ?
C34 C33 H33 119.4 . . ?
C32 C33 H33 119.4 . . ?
C35 C34 C33 120.5(7) . . ?
C35 C34 H34 119.8 . . ?
C33 C34 H34 119.8 . . ?
C34 C35 C36 119.6(7) . . ?
C34 C35 H35 120.2 . . ?
C36 C35 H35 120.2 . . ?
C37 C36 C35 119.9(7) . . ?
C37 C36 H36 120.1 . . ?
C35 C36 H36 120.1 . . ?
C36 C37 C32 121.4(7) . . ?
C36 C37 H37 119.3 . . ?
C32 C37 H37 119.3 . . ?
C11 N3 C15 118.5(6) . . ?
C11 N3 Ru1 127.1(5) . . ?
C15 N3 Ru1 114.3(4) . . ?
C16 N4 C20 120.6(7) . . ?
C16 N4 Ru1 119.9(5) . . ?
C20 N4 Ru1 119.5(5) . . ?
C25 N5 C21 118.3(8) . . ?
C25 N5 Ru1 128.0(7) . . ?
C21 N5 Ru1 113.7(5) . . ?
C1 N1 C5 120.2(7) . . ?
C1 N1 Ru1 124.8(6) . . ?
C5 N1 Ru1 114.6(5) . . ?
C10 N2 C6 116.6(7) . . ?
C10 N2 Ru1 127.3(5) . . ?
C6 N2 Ru1 115.8(5) . . ?
O1 P1 C32 105.3(3) . . ?
O1 P1 C26 107.6(3) . . ?
C32 P1 C26 101.0(3) . . ?
O1 P1 Ru1 109.33(19) . . ?
C32 P1 Ru1 112.3(2) . . ?
C26 P1 Ru1 120.2(2) . . ?
F2B P2 F2B 140.4(15) . 2_556 ?
F2B P2 F1 118.3(8) . 2_556 ?
F2B P2 F1 90.3(8) 2_556 2_556 ?
F2B P2 F1 90.3(8) . . ?
F2B P2 F1 118.3(8) 2_556 . ?
F1 P2 F1 89.9(6) 2_556 . ?
F2B P2 F2A 101.1(10) . 2_556 ?
F2B P2 F2A 42.0(8) 2_556 2_556 ?
F1 P2 F2A 104.3(5) 2_556 2_556 ?
F1 P2 F2A 154.2(6) . 2_556 ?
F2B P2 F2A 42.0(8) . . ?
F2B P2 F2A 101.1(10) 2_556 . ?
F1 P2 F2A 154.2(6) 2_556 . ?
F1 P2 F2A 104.3(5) . . ?
F2A P2 F2A 71.5(9) 2_556 . ?
F2B P2 F3A 159.8(9) . 2_556 ?
F2B P2 F3A 39.3(8) 2_556 2_556 ?
F1 P2 F3A 79.8(5) 2_556 2_556 ?
F1 P2 F3A 80.4(5) . 2_556 ?
F2A P2 F3A 81.2(6) 2_556 2_556 ?
F2A P2 F3A 123.2(7) . 2_556 ?
F2B P2 F3A 39.3(8) . . ?
F2B P2 F3A 159.8(9) 2_556 . ?
F1 P2 F3A 80.4(5) 2_556 . ?
F1 P2 F3A 79.8(5) . . ?
F2A P2 F3A 123.2(7) 2_556 . ?
F2A P2 F3A 81.2(6) . . ?
F3A P2 F3A 151.8(9) 2_556 . ?
F2B P2 F3B 76.7(9) . 2_556 ?
F2B P2 F3B 87.6(10) 2_556 2_556 ?
F1 P2 F3B 73.0(6) 2_556 2_556 ?
F1 P2 F3B 149.5(7) . 2_556 ?
F2A P2 F3B 56.3(7) 2_556 2_556 ?
F2A P2 F3B 84.4(7) . 2_556 ?
F3A P2 F3B 119.6(7) 2_556 2_556 ?
F3A P2 F3B 72.6(7) . 2_556 ?
F2B P2 F3B 87.6(10) . . ?
F2B P2 F3B 76.7(9) 2_556 . ?
F1 P2 F3B 149.5(7) 2_556 . ?
F1 P2 F3B 73.0(6) . . ?
F2A P2 F3B 84.4(7) 2_556 . ?
F2A P2 F3B 56.3(7) . . ?
F3A P2 F3B 72.6(7) 2_556 . ?
F3A P2 F3B 119.6(7) . . ?
F3B P2 F3B 132.6(12) 2_556 . ?
F9 P3 P3 93.4(17) . 2_655 ?
F9 P3 F10 111.5(14) . . ?
P3 P3 F10 96.1(12) 2_655 . ?
F9 P3 F7 80.6(9) . . ?
P3 P3 F7 68.3(9) 2_655 . ?
F10 P3 F7 161.4(17) . . ?
F9 P3 F8 131.4(18) . . ?
P3 P3 F8 124.3(11) 2_655 . ?
F10 P3 F8 95.2(8) . . ?
F7 P3 F8 86.1(10) . . ?
F9 P3 F7 116.5(9) . 2_655 ?
P3 P3 F7 60.1(10) 2_655 2_655 ?
F10 P3 F7 126.7(15) . 2_655 ?
F7 P3 F7 37.0(14) . 2_655 ?
F8 P3 F7 69.7(11) . 2_655 ?
F9 P3 F9 131.0(13) . 2_655 ?
P3 P3 F9 39.8(7) 2_655 2_655 ?
F10 P3 F9 71.3(13) . 2_655 ?
F7 P3 F9 90.1(13) . 2_655 ?
F8 P3 F9 95.3(9) . 2_655 ?
F7 P3 F9 60.4(11) 2_655 2_655 ?
F9 P3 F10 67.7(15) . 2_655 ?
P3 P3 F10 42.0(6) 2_655 2_655 ?
F10 P3 F10 76.1(9) . 2_655 ?
F7 P3 F10 96.8(8) . 2_655 ?
F8 P3 F10 160.8(10) . 2_655 ?
F7 P3 F10 101.5(10) 2_655 2_655 ?
F9 P3 F10 65.8(8) 2_655 2_655 ?
F14 P4 F14 180.0(4) 5_655 . ?
F14 P4 F15 90.3(3) 5_655 5_655 ?
F14 P4 F15 89.7(3) . 5_655 ?
F14 P4 F15 89.7(3) 5_655 . ?
F14 P4 F15 90.3(3) . . ?
F15 P4 F15 180.0(6) 5_655 . ?
F14 P4 F13 89.7(3) 5_655 . ?
F14 P4 F13 90.3(3) . . ?
F15 P4 F13 89.8(3) 5_655 . ?
F15 P4 F13 90.2(3) . . ?
F14 P4 F13 90.3(3) 5_655 5_655 ?
F14 P4 F13 89.7(3) . 5_655 ?
F15 P4 F13 90.2(3) 5_655 5_655 ?
F15 P4 F13 89.8(3) . 5_655 ?
F13 P4 F13 180.0(4) . 5_655 ?
N4 Ru1 N3 79.1(2) . . ?
N4 Ru1 N5 79.2(3) . . ?
N3 Ru1 N5 157.8(3) . . ?
N4 Ru1 N2 172.8(2) . . ?
N3 Ru1 N2 97.8(2) . . ?
N5 Ru1 N2 103.3(3) . . ?
N4 Ru1 N1 96.1(3) . . ?
N3 Ru1 N1 87.5(2) . . ?
N5 Ru1 N1 90.6(2) . . ?
N2 Ru1 N1 77.2(3) . . ?
N4 Ru1 P1 91.05(17) . . ?
N3 Ru1 P1 86.16(15) . . ?
N5 Ru1 P1 98.45(17) . . ?
N2 Ru1 P1 95.24(17) . . ?
N1 Ru1 P1 169.34(19) . . ?
F7 F7 P3 77.4(7) 2_655 . ?
F7 F7 P3 65.6(17) 2_655 2_655 ?
P3 F7 P3 51.7(6) . 2_655 ?
F7 F7 F9 118.2(8) 2_655 . ?
P3 F7 F9 42.0(7) . . ?
P3 F7 F9 66.9(12) 2_655 . ?
F7 F7 F8 92(3) 2_655 2_655 ?
P3 F7 F8 101.9(8) . 2_655 ?
P3 F7 F8 53.7(7) 2_655 2_655 ?
F9 F7 F8 90.5(13) . 2_655 ?
P3 F9 F7 57.4(6) . . ?
P3 F9 P3 46.8(11) . 2_655 ?
F7 F9 P3 52.7(9) . 2_655 ?
P3 F8 F7 56.7(9) . 2_655 ?
P3 F10 P3 41.8(8) . 2_655 ?
P1 O1 H1B 133.9(14) . . ?

# The following lines are used to test the character set of files sent by
# network email or other means. They are not part of the CIF data set
# abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ0123456789
# !@#$%^&*()_+{}:"~<>?|\-=[];'`,./

# END of CIF
_database_code_depnum_ccdc_archive 'CCDC 939063'
#######################################################################
#
#                 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_rsi070212


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

_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         '2(C37 H29 N5 O P Ru), 2(F6 P), H2 O'
_chemical_formula_sum            'C74 H60 F12 N10 O3 P4 Ru2'
_chemical_formula_weight         1691.34
_chemical_compound_source        'synthesis as described'
_chemical_absolute_configuration ad

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

_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'I 41 c d'
_symmetry_space_group_name_Hall  'I 4bw -2c'
_symmetry_Int_Tables_number      110
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y+1/2, x, z+3/4'
'y+1/2, -x, z+3/4'
'-x, -y, z'
'-x, y, z+1/2'
'x, -y, z+1/2'
'-y+1/2, -x, z+1/4'
'y+1/2, x, z+1/4'
'x+1/2, y+1/2, z+1/2'
'-y+1, x+1/2, z+5/4'
'y+1, -x+1/2, z+5/4'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, z+1'
'x+1/2, -y+1/2, z+1'
'-y+1, -x+1/2, z+3/4'
'y+1, x+1/2, z+3/4'

_cell_length_a                   28.4278(6)
_cell_length_b                   28.4278(6)
_cell_length_c                   17.0604(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     13787.2(5)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9871
_cell_measurement_theta_min      2.27
_cell_measurement_theta_max      21.54
_cell_measurement_wavelength     0.71073

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

_exptl_crystal_description       needle
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_exptl_crystal_density_diffrn    1.63
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             6832
_exptl_special_details           
;
 ?
;

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

_exptl_absorpt_coefficient_mu    0.622
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
        [c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_absorpt_correction_T_min  0.812
_exptl_absorpt_correction_T_max  0.989

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

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Kappa APEX II'
_diffrn_measurement_method       \w-\f
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_av_R_equivalents  0.0583
_diffrn_reflns_av_unetI/netI     0.0173
_diffrn_reflns_number            98325
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2
_diffrn_reflns_theta_max         21.7
_diffrn_reflns_theta_full        21.7
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_reflns_number_total             4063
_reflns_number_gt                3866
_reflns_threshold_expression     >2\s(I)

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

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

_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom

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

_refine_special_details          
;
 Refinement of 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^ > 2\s(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.
;
_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^)+(0.0158P)^2^+11.7695P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_number_reflns         4063
_refine_ls_number_parameters     477
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0195
_refine_ls_R_factor_gt           0.0163
_refine_ls_wR_factor_ref         0.036
_refine_ls_wR_factor_gt          0.0349
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_restrained_S_all      1.055
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.032(16)
_refine_diff_density_max         0.15
_refine_diff_density_min         -0.147
_refine_diff_density_rms         0.033

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

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 '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'

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 1.02672(11) 0.75455(10) 1.10671(17) 0.0222(7) Uani 1 1 d . . .
H1 H 1.0596 0.7567 1.0975 0.027 Uiso 1 1 calc R . .
C3 C 0.95214(12) 0.79142(11) 1.11323(19) 0.0304(8) Uani 1 1 d . . .
H3 H 0.9329 0.8187 1.1101 0.036 Uiso 1 1 calc R . .
C2 C 0.99977(12) 0.79448(11) 1.0989(2) 0.0298(8) Uani 1 1 d . . .
H2 H 1.0137 0.8235 1.0841 0.036 Uiso 1 1 calc R . .
C4 C 0.93249(11) 0.74848(11) 1.13207(17) 0.0246(8) Uani 1 1 d . . .
H4 H 0.8996 0.7458 1.141 0.03 Uiso 1 1 calc R . .
C5 C 0.96159(10) 0.70903(10) 1.13779(15) 0.0173(7) Uani 1 1 d . . .
C6 C 0.94392(9) 0.66151(9) 1.1551(2) 0.0162(7) Uani 1 1 d . . .
C7 C 0.89663(9) 0.65029(10) 1.15600(19) 0.0199(7) Uani 1 1 d . . .
H7 H 0.8739 0.6739 1.1453 0.024 Uiso 1 1 calc R . .
C8 C 0.88231(10) 0.60487(10) 1.17244(18) 0.0214(7) Uani 1 1 d . . .
H8 H 0.8499 0.5968 1.1724 0.026 Uiso 1 1 calc R . .
C9 C 0.91614(10) 0.57147(10) 1.18897(16) 0.0188(7) Uani 1 1 d . . .
H9 H 0.9073 0.5401 1.2015 0.023 Uiso 1 1 calc R . .
C10 C 0.96305(10) 0.58434(10) 1.18695(15) 0.0170(7) Uani 1 1 d . . .
H10 H 0.986 0.561 1.1979 0.02 Uiso 1 1 calc R . .
C11 C 1.04213(10) 0.60482(10) 0.99972(17) 0.0178(7) Uani 1 1 d . . .
H11 H 1.0146 0.5894 1.0181 0.021 Uiso 1 1 calc R . .
C12 C 1.05666(10) 0.59655(10) 0.92357(17) 0.0193(7) Uani 1 1 d . . .
H12 H 1.0393 0.576 0.8904 0.023 Uiso 1 1 calc R . .
C13 C 1.09681(10) 0.61867(10) 0.89648(16) 0.0214(7) Uani 1 1 d . . .
H13 H 1.1072 0.6139 0.8442 0.026 Uiso 1 1 calc R . .
C14 C 1.12170(10) 0.64794(10) 0.94650(17) 0.0203(7) Uani 1 1 d . . .
H14 H 1.1496 0.663 0.929 0.024 Uiso 1 1 calc R . .
C15 C 1.10559(9) 0.65509(9) 1.02225(17) 0.0161(7) Uani 1 1 d . . .
C16 C 1.12893(10) 0.68608(10) 1.07968(17) 0.0182(7) Uani 1 1 d . . .
C17 C 1.16815(11) 0.71422(11) 1.06727(19) 0.0246(8) Uani 1 1 d . . .
H17 H 1.184 0.7138 1.0183 0.03 Uiso 1 1 calc R . .
C18 C 1.18371(11) 0.74291(11) 1.12770(19) 0.0286(8) Uani 1 1 d . . .
H18 H 1.2111 0.7616 1.1207 0.034 Uiso 1 1 calc R . .
C19 C 1.15962(10) 0.74442(11) 1.19816(19) 0.0259(8) Uani 1 1 d . . .
H19 H 1.1698 0.7649 1.2388 0.031 Uiso 1 1 calc R . .
C20 C 1.12045(10) 0.71586(10) 1.20913(17) 0.0192(7) Uani 1 1 d . . .
C21 C 1.09047(10) 0.71303(10) 1.27838(17) 0.0195(7) Uani 1 1 d . . .
C22 C 1.09880(11) 0.73668(11) 1.34793(19) 0.0276(8) Uani 1 1 d . . .
H22 H 1.1249 0.7574 1.3521 0.033 Uiso 1 1 calc R . .
C23 C 1.06951(11) 0.73025(11) 1.4106(2) 0.0338(8) Uani 1 1 d . . .
H23 H 1.0752 0.7464 1.4584 0.041 Uiso 1 1 calc R . .
C24 C 1.03198(11) 0.70033(11) 1.4039(2) 0.0311(8) Uani 1 1 d . . .
H24 H 1.0113 0.6956 1.4469 0.037 Uiso 1 1 calc R . .
C25 C 1.02455(11) 0.67712(10) 1.33406(17) 0.0226(7) Uani 1 1 d . . .
H25 H 0.9986 0.6563 1.3298 0.027 Uiso 1 1 calc R . .
C26 C 1.09247(10) 0.57662(10) 1.30635(17) 0.0186(7) Uani 1 1 d . . .
C27 C 1.12037(11) 0.60630(11) 1.35186(18) 0.0259(8) Uani 1 1 d . . .
H27 H 1.1381 0.6305 1.3274 0.031 Uiso 1 1 calc R . .
C29 C 1.09637(14) 0.56626(13) 1.4687(2) 0.0425(10) Uani 1 1 d . . .
H29 H 1.0975 0.563 1.5241 0.051 Uiso 1 1 calc R . .
C30 C 1.06882(13) 0.53651(12) 1.4249(2) 0.0407(9) Uani 1 1 d . . .
H30 H 1.0512 0.5124 1.45 0.049 Uiso 1 1 calc R . .
C31 C 1.06679(12) 0.54163(11) 1.3441(2) 0.0304(8) Uani 1 1 d . . .
H31 H 1.0476 0.521 1.3141 0.036 Uiso 1 1 calc R . .
C32 C 1.14472(9) 0.57718(9) 1.16136(19) 0.0182(7) Uani 1 1 d . . .
C33 C 1.18155(10) 0.60812(10) 1.17926(17) 0.0227(8) Uani 1 1 d . . .
H33 H 1.1765 0.6327 1.216 0.027 Uiso 1 1 calc R . .
C34 C 1.22497(11) 0.60346(11) 1.14442(18) 0.0311(9) Uani 1 1 d . . .
H34 H 1.2493 0.6251 1.1568 0.037 Uiso 1 1 calc R . .
C35 C 1.23353(12) 0.56805(13) 1.0922(2) 0.0397(9) Uani 1 1 d . . .
H35 H 1.2637 0.5648 1.0689 0.048 Uiso 1 1 calc R . .
C36 C 1.19778(13) 0.53694(12) 1.0737(2) 0.0422(10) Uani 1 1 d . . .
H36 H 1.2035 0.5123 1.0373 0.051 Uiso 1 1 calc R . .
C37 C 1.15344(12) 0.54127(11) 1.10791(17) 0.0281(8) Uani 1 1 d . . .
H37 H 1.1292 0.5197 1.0947 0.034 Uiso 1 1 calc R . .
N1 N 1.00842(8) 0.71245(8) 1.12683(13) 0.0168(6) Uani 1 1 d . . .
N2 N 0.97791(7) 0.62807(7) 1.17041(14) 0.0140(5) Uani 1 1 d . . .
N3 N 1.06511(8) 0.63364(8) 1.04876(13) 0.0144(6) Uani 1 1 d . . .
N4 N 1.10669(7) 0.68682(8) 1.14988(14) 0.0156(6) Uani 1 1 d . . .
N5 N 1.05296(8) 0.68304(8) 1.27157(14) 0.0183(6) Uani 1 1 d . . .
O1 O 1.05940(6) 0.53756(6) 1.17410(12) 0.0229(5) Uani 1 1 d . . .
F1 F 1.24303(6) 0.73752(5) 1.76052(9) 0.0282(4) Uani 1 1 d . . .
F2 F 1.21920(6) 0.69530(7) 1.86615(10) 0.0436(5) Uani 1 1 d . . .
F3 F 1.19032(6) 0.63924(6) 1.78598(11) 0.0418(5) Uani 1 1 d . . .
F4 F 1.26656(6) 0.66238(6) 1.77450(11) 0.0347(5) Uani 1 1 d . . .
F5 F 1.16680(6) 0.71453(7) 1.77201(11) 0.0351(5) Uani 1 1 d . . .
F6 F 1.21339(6) 0.68140(6) 1.68058(9) 0.0270(4) Uani 1 1 d . . .
P1 P 1.08436(3) 0.58224(3) 1.19987(4) 0.01623(17) Uani 1 1 d . . .
P2 P 1.21661(3) 0.68878(3) 1.77352(5) 0.0233(2) Uani 1 1 d . . .
Ru1 Ru 1.048069(7) 0.652056(7) 1.162507(14) 0.01379(6) Uani 1 1 d . . .
C28 C 1.12237(12) 0.60081(12) 1.43233(18) 0.0350(9) Uani 1 1 d . . .
H28 H 1.1418 0.621 1.4627 0.042 Uiso 1 1 calc R . .
O2 O 1 0.5 1.06340(18) 0.0250(8) Uani 1 2 d S . .
H2B H 0.9788(10) 0.4909(12) 1.0892(19) 0.03 Uiso 1 1 d . . .

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
C1 0.0207(18) 0.0212(19) 0.0248(19) -0.0032(15) -0.0041(14) -0.0027(16)
C3 0.031(2) 0.0179(19) 0.042(2) -0.0044(15) -0.0131(17) 0.0073(16)
C2 0.030(2) 0.0182(19) 0.042(2) 0.0038(15) -0.0128(17) 0.0000(16)
C4 0.0198(17) 0.0267(19) 0.0273(18) -0.0072(15) -0.0058(14) -0.0007(16)
C5 0.0189(19) 0.0213(18) 0.0117(17) -0.0035(12) -0.0021(12) 0.0046(14)
C6 0.0179(17) 0.0213(17) 0.0095(16) -0.0054(16) 0.0012(15) 0.0009(13)
C7 0.0133(16) 0.0253(17) 0.0209(16) -0.0059(15) -0.0056(16) 0.0047(13)
C8 0.0132(15) 0.0336(19) 0.0175(18) -0.0033(15) -0.0001(15) -0.0001(14)
C9 0.0198(18) 0.0234(18) 0.0132(18) -0.0030(13) 0.0039(13) -0.0058(14)
C10 0.0179(17) 0.0207(18) 0.0125(18) -0.0048(12) -0.0004(12) 0.0023(13)
C11 0.0152(16) 0.0172(17) 0.021(2) 0.0036(15) -0.0029(14) 0.0004(13)
C12 0.0205(17) 0.0223(16) 0.0149(18) -0.0031(14) -0.0045(15) 0.0043(14)
C13 0.0299(19) 0.0234(18) 0.0110(18) -0.0022(14) -0.0013(14) 0.0063(15)
C14 0.0184(17) 0.0198(17) 0.0227(18) 0.0046(14) 0.0061(15) 0.0050(14)
C15 0.0122(16) 0.0148(16) 0.0211(18) 0.0011(14) 0.0010(14) 0.0039(13)
C16 0.0169(17) 0.0187(17) 0.0189(18) 0.0040(14) 0.0012(14) 0.0005(14)
C17 0.0230(19) 0.0272(19) 0.0238(19) -0.0010(16) 0.0035(15) -0.0027(16)
C18 0.0193(19) 0.0275(19) 0.039(2) -0.0033(16) 0.0021(16) -0.0068(15)
C19 0.0196(19) 0.0221(18) 0.036(2) -0.0089(16) -0.0045(16) -0.0040(15)
C20 0.0152(17) 0.0191(17) 0.0235(19) -0.0016(15) -0.0049(14) 0.0032(14)
C21 0.0187(17) 0.0192(17) 0.0207(18) -0.0062(14) -0.0095(15) 0.0008(14)
C22 0.0298(19) 0.0247(19) 0.028(2) -0.0069(15) -0.0053(17) -0.0038(15)
C23 0.041(2) 0.041(2) 0.0191(17) -0.0098(19) -0.0045(19) -0.0002(16)
C24 0.035(2) 0.0377(19) 0.0203(19) -0.0017(17) 0.0042(17) -0.0004(17)
C25 0.0251(18) 0.0246(19) 0.0182(19) -0.0046(15) -0.0014(16) 0.0001(14)
C26 0.0190(17) 0.0206(18) 0.0160(17) 0.0015(15) 0.0044(14) 0.0068(14)
C27 0.0282(19) 0.029(2) 0.0208(19) 0.0048(15) -0.0035(15) 0.0012(16)
C29 0.071(3) 0.042(2) 0.015(2) 0.0037(18) 0.004(2) 0.016(2)
C30 0.063(2) 0.032(2) 0.027(2) 0.0101(18) 0.024(2) 0.0039(17)
C31 0.032(2) 0.030(2) 0.029(2) 0.0012(16) 0.0112(16) 0.0026(16)
C32 0.0225(16) 0.0190(16) 0.0131(15) 0.0022(16) 0.0013(15) 0.0091(13)
C33 0.0168(17) 0.0269(18) 0.024(2) 0.0020(14) -0.0017(14) 0.0057(14)
C34 0.0234(19) 0.041(2) 0.029(2) 0.0121(18) -0.0021(16) 0.0020(15)
C35 0.028(2) 0.044(2) 0.047(2) 0.010(2) 0.0169(18) 0.0080(18)
C36 0.056(3) 0.037(2) 0.033(2) -0.0032(17) 0.021(2) 0.016(2)
C37 0.038(2) 0.0232(19) 0.0227(19) 0.0029(15) 0.0064(16) 0.0028(16)
N1 0.0183(15) 0.0165(15) 0.0156(12) -0.0023(11) -0.0009(10) -0.0009(11)
N2 0.0199(12) 0.0142(13) 0.0077(13) -0.0020(11) -0.0010(11) 0.0010(10)
N3 0.0149(14) 0.0145(13) 0.0138(13) -0.0009(11) -0.0031(11) 0.0030(11)
N4 0.0116(13) 0.0180(13) 0.0171(15) -0.0012(12) -0.0048(12) 0.0009(10)
N5 0.0193(14) 0.0211(15) 0.0145(14) -0.0013(11) -0.0035(12) 0.0030(12)
O1 0.0224(11) 0.0171(10) 0.0292(13) -0.0031(10) -0.0082(10) -0.0009(8)
F1 0.0314(10) 0.0201(9) 0.0331(10) -0.0013(8) 0.0041(8) -0.0030(8)
F2 0.0374(12) 0.0744(15) 0.0189(10) -0.0002(10) -0.0014(9) -0.0222(10)
F3 0.0423(12) 0.0354(11) 0.0476(12) 0.0143(10) -0.0154(10) -0.0213(9)
F4 0.0260(10) 0.0284(10) 0.0497(12) 0.0021(9) -0.0082(9) 0.0040(8)
F5 0.0227(10) 0.0500(12) 0.0326(11) -0.0132(10) 0.0041(9) 0.0048(9)
F6 0.0305(10) 0.0308(10) 0.0198(10) -0.0065(8) 0.0019(8) 0.0061(8)
P1 0.0151(4) 0.0185(4) 0.0151(4) 0.0000(4) -0.0020(3) 0.0006(4)
P2 0.0218(5) 0.0262(5) 0.0219(5) 0.0008(4) -0.0003(4) -0.0035(4)
Ru1 0.01283(12) 0.01552(12) 0.01304(11) -0.00137(12) -0.00155(12) -0.00043(11)
C28 0.047(2) 0.035(2) 0.023(2) -0.0043(16) -0.0090(17) 0.0088(17)
O2 0.023(2) 0.036(2) 0.0153(18) 0 0 -0.0046(16)


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

_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N1 1.349(4) . ?
C1 C2 1.376(4) . ?
C1 H1 0.95 . ?
C3 C2 1.378(4) . ?
C3 C4 1.380(4) . ?
C3 H3 0.95 . ?
C2 H2 0.95 . ?
C4 C5 1.397(4) . ?
C4 H4 0.95 . ?
C5 N1 1.348(4) . ?
C5 C6 1.471(4) . ?
C6 N2 1.380(3) . ?
C6 C7 1.382(4) . ?
C7 C8 1.382(4) . ?
C7 H7 0.95 . ?
C8 C9 1.381(4) . ?
C8 H8 0.95 . ?
C9 C10 1.383(4) . ?
C9 H9 0.95 . ?
C10 N2 1.343(3) . ?
C10 H10 0.95 . ?
C11 N3 1.341(4) . ?
C11 C12 1.383(4) . ?
C11 H11 0.95 . ?
C12 C13 1.383(4) . ?
C12 H12 0.95 . ?
C13 C14 1.386(4) . ?
C13 H13 0.95 . ?
C14 C15 1.386(4) . ?
C14 H14 0.95 . ?
C15 N3 1.379(4) . ?
C15 C16 1.475(4) . ?
C16 N4 1.355(4) . ?
C16 C17 1.388(4) . ?
C17 C18 1.387(4) . ?
C17 H17 0.95 . ?
C18 C19 1.384(4) . ?
C18 H18 0.95 . ?
C19 C20 1.391(4) . ?
C19 H19 0.95 . ?
C20 N4 1.362(4) . ?
C20 C21 1.459(4) . ?
C21 N5 1.370(4) . ?
C21 C22 1.384(4) . ?
C22 C23 1.368(5) . ?
C22 H22 0.95 . ?
C23 C24 1.369(4) . ?
C23 H23 0.95 . ?
C24 C25 1.378(4) . ?
C24 H24 0.95 . ?
C25 N5 1.348(4) . ?
C25 H25 0.95 . ?
C26 C31 1.392(4) . ?
C26 C27 1.394(4) . ?
C26 P1 1.838(3) . ?
C27 C28 1.383(5) . ?
C27 H27 0.95 . ?
C29 C30 1.373(5) . ?
C29 C28 1.377(5) . ?
C29 H29 0.95 . ?
C30 C31 1.388(5) . ?
C30 H30 0.95 . ?
C31 H31 0.95 . ?
C32 C37 1.391(4) . ?
C32 C33 1.401(4) . ?
C32 P1 1.843(3) . ?
C33 C34 1.376(4) . ?
C33 H33 0.95 . ?
C34 C35 1.366(5) . ?
C34 H34 0.95 . ?
C35 C36 1.384(5) . ?
C35 H35 0.95 . ?
C36 C37 1.394(5) . ?
C36 H36 0.95 . ?
C37 H37 0.95 . ?
N1 Ru1 2.142(2) . ?
N2 Ru1 2.112(2) . ?
N3 Ru1 2.067(2) . ?
N4 Ru1 1.949(2) . ?
N5 Ru1 2.063(2) . ?
O1 P1 1.5199(19) . ?
F1 P2 1.5918(18) . ?
F2 P2 1.5928(19) . ?
F3 P2 1.6084(19) . ?
F4 P2 1.6061(18) . ?
F5 P2 1.594(2) . ?
F6 P2 1.6020(17) . ?
P1 Ru1 2.3260(8) . ?
C28 H28 0.95 . ?
O2 H2B 0.79(3) . ?

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
N1 C1 C2 122.8(3) . . ?
N1 C1 H1 118.6 . . ?
C2 C1 H1 118.6 . . ?
C2 C3 C4 119.6(3) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C1 C2 C3 118.5(3) . . ?
C1 C2 H2 120.7 . . ?
C3 C2 H2 120.7 . . ?
C3 C4 C5 119.1(3) . . ?
C3 C4 H4 120.4 . . ?
C5 C4 H4 120.4 . . ?
N1 C5 C4 121.2(3) . . ?
N1 C5 C6 115.5(2) . . ?
C4 C5 C6 123.3(3) . . ?
N2 C6 C7 121.3(2) . . ?
N2 C6 C5 115.5(2) . . ?
C7 C6 C5 123.1(2) . . ?
C6 C7 C8 120.3(3) . . ?
C6 C7 H7 119.9 . . ?
C8 C7 H7 119.9 . . ?
C9 C8 C7 118.6(3) . . ?
C9 C8 H8 120.7 . . ?
C7 C8 H8 120.7 . . ?
C8 C9 C10 119.0(3) . . ?
C8 C9 H9 120.5 . . ?
C10 C9 H9 120.5 . . ?
N2 C10 C9 123.6(3) . . ?
N2 C10 H10 118.2 . . ?
C9 C10 H10 118.2 . . ?
N3 C11 C12 123.0(3) . . ?
N3 C11 H11 118.5 . . ?
C12 C11 H11 118.5 . . ?
C13 C12 C11 118.9(3) . . ?
C13 C12 H12 120.6 . . ?
C11 C12 H12 120.6 . . ?
C12 C13 C14 119.3(3) . . ?
C12 C13 H13 120.4 . . ?
C14 C13 H13 120.4 . . ?
C13 C14 C15 119.6(3) . . ?
C13 C14 H14 120.2 . . ?
C15 C14 H14 120.2 . . ?
N3 C15 C14 121.1(3) . . ?
N3 C15 C16 114.9(2) . . ?
C14 C15 C16 123.9(3) . . ?
N4 C16 C17 120.1(3) . . ?
N4 C16 C15 112.7(2) . . ?
C17 C16 C15 127.2(3) . . ?
C18 C17 C16 118.8(3) . . ?
C18 C17 H17 120.6 . . ?
C16 C17 H17 120.6 . . ?
C19 C18 C17 120.4(3) . . ?
C19 C18 H18 119.8 . . ?
C17 C18 H18 119.8 . . ?
C18 C19 C20 119.7(3) . . ?
C18 C19 H19 120.2 . . ?
C20 C19 H19 120.2 . . ?
N4 C20 C19 118.9(3) . . ?
N4 C20 C21 113.5(2) . . ?
C19 C20 C21 127.5(3) . . ?
N5 C21 C22 120.5(3) . . ?
N5 C21 C20 114.9(2) . . ?
C22 C21 C20 124.6(3) . . ?
C23 C22 C21 120.1(3) . . ?
C23 C22 H22 120 . . ?
C21 C22 H22 120 . . ?
C22 C23 C24 119.4(3) . . ?
C22 C23 H23 120.3 . . ?
C24 C23 H23 120.3 . . ?
C23 C24 C25 119.3(3) . . ?
C23 C24 H24 120.3 . . ?
C25 C24 H24 120.3 . . ?
N5 C25 C24 122.1(3) . . ?
N5 C25 H25 118.9 . . ?
C24 C25 H25 118.9 . . ?
C31 C26 C27 118.2(3) . . ?
C31 C26 P1 117.0(2) . . ?
C27 C26 P1 124.7(2) . . ?
C28 C27 C26 120.5(3) . . ?
C28 C27 H27 119.7 . . ?
C26 C27 H27 119.7 . . ?
C30 C29 C28 120.0(3) . . ?
C30 C29 H29 120 . . ?
C28 C29 H29 120 . . ?
C29 C30 C31 119.9(3) . . ?
C29 C30 H30 120 . . ?
C31 C30 H30 120 . . ?
C30 C31 C26 120.9(3) . . ?
C30 C31 H31 119.6 . . ?
C26 C31 H31 119.6 . . ?
C37 C32 C33 118.1(3) . . ?
C37 C32 P1 117.2(2) . . ?
C33 C32 P1 124.7(2) . . ?
C34 C33 C32 121.0(3) . . ?
C34 C33 H33 119.5 . . ?
C32 C33 H33 119.5 . . ?
C35 C34 C33 120.8(3) . . ?
C35 C34 H34 119.6 . . ?
C33 C34 H34 119.6 . . ?
C34 C35 C36 119.3(3) . . ?
C34 C35 H35 120.4 . . ?
C36 C35 H35 120.4 . . ?
C35 C36 C37 120.8(3) . . ?
C35 C36 H36 119.6 . . ?
C37 C36 H36 119.6 . . ?
C32 C37 C36 120.0(3) . . ?
C32 C37 H37 120 . . ?
C36 C37 H37 120 . . ?
C5 N1 C1 118.7(2) . . ?
C5 N1 Ru1 115.00(18) . . ?
C1 N1 Ru1 125.5(2) . . ?
C10 N2 C6 117.2(2) . . ?
C10 N2 Ru1 127.54(18) . . ?
C6 N2 Ru1 115.26(17) . . ?
C11 N3 C15 118.2(2) . . ?
C11 N3 Ru1 128.77(19) . . ?
C15 N3 Ru1 113.05(18) . . ?
C16 N4 C20 122.1(2) . . ?
C16 N4 Ru1 119.27(19) . . ?
C20 N4 Ru1 118.08(19) . . ?
C25 N5 C21 118.5(2) . . ?
C25 N5 Ru1 128.28(19) . . ?
C21 N5 Ru1 113.24(19) . . ?
O1 P1 C26 105.78(13) . . ?
O1 P1 C32 105.45(12) . . ?
C26 P1 C32 103.22(14) . . ?
O1 P1 Ru1 115.26(8) . . ?
C26 P1 Ru1 113.61(9) . . ?
C32 P1 Ru1 112.45(9) . . ?
F1 P2 F2 90.86(10) . . ?
F1 P2 F5 90.98(10) . . ?
F2 P2 F5 90.21(10) . . ?
F1 P2 F6 90.18(9) . . ?
F2 P2 F6 178.95(12) . . ?
F5 P2 F6 89.63(10) . . ?
F1 P2 F4 89.48(10) . . ?
F2 P2 F4 90.18(10) . . ?
F5 P2 F4 179.39(11) . . ?
F6 P2 F4 89.98(10) . . ?
F1 P2 F3 179.35(12) . . ?
F2 P2 F3 89.55(11) . . ?
F5 P2 F3 89.51(10) . . ?
F6 P2 F3 89.41(10) . . ?
F4 P2 F3 90.02(10) . . ?
N4 Ru1 N5 79.95(10) . . ?
N4 Ru1 N3 79.88(9) . . ?
N5 Ru1 N3 159.84(9) . . ?
N4 Ru1 N2 167.95(8) . . ?
N5 Ru1 N2 98.27(9) . . ?
N3 Ru1 N2 101.50(9) . . ?
N4 Ru1 N1 90.69(9) . . ?
N5 Ru1 N1 87.11(8) . . ?
N3 Ru1 N1 93.41(9) . . ?
N2 Ru1 N1 77.29(9) . . ?
N4 Ru1 P1 94.80(7) . . ?
N5 Ru1 P1 95.01(7) . . ?
N3 Ru1 P1 86.40(7) . . ?
N2 Ru1 P1 97.23(6) . . ?
N1 Ru1 P1 174.38(7) . . ?
C29 C28 C27 120.4(3) . . ?
C29 C28 H28 119.8 . . ?
C27 C28 H28 119.8 . . ?

# The following lines are used to test the character set of files sent by
# network email or other means. They are not part of the CIF data set
# abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ0123456789
# !@#$%^&*()_+{}:"~<>?|\-=[];'`,./

# END of CIF
_database_code_depnum_ccdc_archive 'CCDC 939064'