# Supplementary Material (ESI) for Chemical Communications
# This journal is (c) The Royal Society of Chemistry 2006

data_global
_journal_name_full               Chem.Commun.

_journal_coden_Cambridge         0182

_publ_contact_author_name        'Garry S. Hanan'
_publ_contact_author_address     
;
Garry S. Hanan
Departement de chimie
Universite de Montreal, Quebec, Canada
H3T 1J4
;
_publ_contact_author_phone       '+ 514 343-7056'
_publ_contact_author_fax         '+ 514 343-2468'
_publ_contact_author_email       garry.hanan@umontreal.ca
_publ_requested_coeditor_name    ?

_publ_section_title              
;
Bridging ligand planarity as a route to long-lived, near infrared emitting
dinuclear ruthenium complexes
;
loop_
_publ_author_name
'Garry S. Hanan'
'Sebastiano Campagna'
'Frederique Loiseau'
'Matthew I. J. Polson'

data_garyh2
_database_code_depnum_ccdc_archive 'CCDC 288107'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C58 H40 N14 Ru2, 4(F6 P), 6(C2 H3 N)'
_chemical_formula_sum            'C70 H58 F24 N20 P4 Ru2'
_chemical_formula_weight         1961.38
_chemical_compound_source        'Synthesized by the authors. See text'

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 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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 3.2960 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.8411(5)
_cell_length_b                   11.7123(6)
_cell_length_c                   20.3847(10)
_cell_angle_alpha                74.793(3)
_cell_angle_beta                 86.903(4)
_cell_angle_gamma                79.343(4)
_cell_volume                     2001.75(18)
_cell_formula_units_Z            1
_cell_measurement_temperature    220(2)
_cell_measurement_reflns_used    5916
_cell_measurement_theta_min      3.97
_cell_measurement_theta_max      72.76

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.53
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      none
_exptl_crystal_density_diffrn    1.627
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             982
_exptl_absorpt_coefficient_mu    4.809
_exptl_absorpt_correction_Type   multi-scan
_exptl_absorpt_correction_T_min  0.3600
_exptl_absorpt_correction_T_max  0.5620
_exptl_absorpt_process_details   'Sadabs (Sheldrick,1996)'

_exptl_special_details           
;
X-ray crystallographic data for I were collected from a single crystal
sample, which was mounted on a loop fiber. Data were collected using
a Bruker Platform diffractometer, equipped with a Bruker SMART 2K
Charged-Coupled Device (CCD) Area Detector using the program SMART and
normal focus sealed tube source graphite monochromated Cu-K\a radiation.
The crystal-to-detector distance was 4.908 cm, and the data collection
was carried out in 512 x 512 pixel mode, utilizing 4 x 4 pixel binning.
The initial unit cell parameters were determined by a least-squares fit
of the angular setting of strong reflections, collected by a 9.0 degree
scan in 30 frames over four different parts of the reciprocal space
(120 frames total). One complete sphere of data was collected, to
better than 0.8\%A resolution. Upon completion of the data collection,
the first 101 frames were recollected in order to improve the decay
correction analysis.
;

_diffrn_ambient_temperature      220(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'Sealed Tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker AXS Smart 2K/Platform'
_diffrn_measurement_method       \w
_diffrn_detector_area_resol_mean 5.5
_diffrn_standards_number         181
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        0.00
_diffrn_reflns_number            23963
_diffrn_reflns_av_R_equivalents  0.025
_diffrn_reflns_av_sigmaI/netI    0.0518
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.25
_diffrn_reflns_theta_max         72.83
_reflns_number_total             7587
_reflns_number_gt                6464
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SAINT (Bruker, 1999)'
_computing_cell_refinement       'SMART (Bruker, 1999)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics    'XP (Bruker, 1999)'
_computing_publication_material  'UdMX (local program)'

_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.
;

_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^)+(0.0959P)^2^+0.2791P] 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     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7587
_refine_ls_number_parameters     556
_refine_ls_number_restraints     133
_refine_ls_R_factor_all          0.0519
_refine_ls_R_factor_gt           0.0452
_refine_ls_wR_factor_ref         0.1448
_refine_ls_wR_factor_gt          0.1301
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_restrained_S_all      1.135
_refine_ls_shift/su_max          0.008
_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 0.10328(3) 0.42697(2) 0.267499(11) 0.03261(12) Uani 1 1 d . . .
N1 N 0.0663(4) 0.2516(3) 0.30513(15) 0.0390(7) Uani 1 1 d . . .
C2 C 0.0211(5) 0.1816(3) 0.2704(2) 0.0484(9) Uani 1 1 d . . .
H2 H 0.0045 0.2120 0.2234 0.058 Uiso 1 1 calc R . .
C3 C -0.0021(6) 0.0663(4) 0.3012(3) 0.0604(12) Uani 1 1 d . . .
H3 H -0.0366 0.0197 0.2759 0.073 Uiso 1 1 calc R . .
C4 C 0.0263(6) 0.0206(4) 0.3699(3) 0.0663(13) Uani 1 1 d . . .
H4 H 0.0135 -0.0583 0.3917 0.080 Uiso 1 1 calc R . .
C5 C 0.0734(5) 0.0912(4) 0.4061(2) 0.0583(12) Uani 1 1 d . . .
H5 H 0.0932 0.0603 0.4529 0.070 Uiso 1 1 calc R . .
C6 C 0.0920(5) 0.2073(3) 0.37428(19) 0.0460(9) Uani 1 1 d . . .
C7 C 0.1321(4) 0.2921(4) 0.40853(19) 0.0460(9) Uani 1 1 d . . .
N8 N 0.1426(4) 0.3995(3) 0.36653(15) 0.0412(7) Uani 1 1 d . . .
C9 C 0.1793(5) 0.4902(4) 0.38852(19) 0.0465(9) Uani 1 1 d . . .
C10 C 0.2083(6) 0.4717(5) 0.4571(2) 0.0632(13) Uani 1 1 d . . .
H10 H 0.2358 0.5334 0.4732 0.076 Uiso 1 1 calc R . .
C11 C 0.1968(6) 0.3633(5) 0.5011(2) 0.0689(14) Uani 1 1 d . . .
H11 H 0.2142 0.3512 0.5478 0.083 Uiso 1 1 calc R . .
C12 C 0.1599(5) 0.2719(5) 0.4779(2) 0.0614(12) Uani 1 1 d . . .
H12 H 0.1535 0.1970 0.5081 0.074 Uiso 1 1 calc R . .
C13 C 0.1839(5) 0.5993(4) 0.3339(2) 0.0462(9) Uani 1 1 d . . .
N14 N 0.1467(4) 0.5940(3) 0.27047(16) 0.0389(7) Uani 1 1 d . . .
C15 C 0.1402(5) 0.6923(3) 0.2194(2) 0.0467(9) Uani 1 1 d . . .
H15 H 0.1102 0.6896 0.1764 0.056 Uiso 1 1 calc R . .
C16 C 0.1761(6) 0.7994(4) 0.2268(3) 0.0604(12) Uani 1 1 d . . .
H16 H 0.1708 0.8673 0.1896 0.072 Uiso 1 1 calc R . .
C17 C 0.2196(6) 0.8033(4) 0.2900(3) 0.0650(13) Uani 1 1 d . . .
H17 H 0.2478 0.8734 0.2960 0.078 Uiso 1 1 calc R . .
C18 C 0.2214(5) 0.7040(4) 0.3441(3) 0.0591(12) Uani 1 1 d . . .
H18 H 0.2477 0.7067 0.3877 0.071 Uiso 1 1 calc R . .
N19 N -0.1292(4) 0.4992(2) 0.26096(15) 0.0357(6) Uani 1 1 d . . .
C20 C -0.2262(5) 0.5229(3) 0.31078(19) 0.0442(9) Uani 1 1 d . . .
H20 H -0.1900 0.4988 0.3557 0.053 Uiso 1 1 calc R . .
C21 C -0.3757(5) 0.5808(4) 0.2988(2) 0.0541(10) Uani 1 1 d . . .
H21 H -0.4392 0.5983 0.3346 0.065 Uiso 1 1 calc R . .
C22 C -0.4323(5) 0.6133(4) 0.2325(2) 0.0558(11) Uani 1 1 d . . .
H22 H -0.5348 0.6520 0.2233 0.067 Uiso 1 1 calc R . .
C23 C -0.3358(5) 0.5880(3) 0.1807(2) 0.0511(10) Uani 1 1 d . . .
H23 H -0.3716 0.6096 0.1358 0.061 Uiso 1 1 calc R . .
C24 C -0.1862(4) 0.5307(3) 0.19566(17) 0.0360(8) Uani 1 1 d . . .
C25 C -0.0745(4) 0.5020(3) 0.14389(16) 0.0344(7) Uani 1 1 d . . .
N26 N 0.0671(4) 0.4533(2) 0.16957(14) 0.0345(6) Uani 1 1 d . . .
C27 C 0.1848(4) 0.4224(3) 0.12865(17) 0.0356(7) Uani 1 1 d . . .
C28 C 0.1595(4) 0.4385(3) 0.06168(15) 0.0307(7) Uani 1 1 d . . .
H28 H 0.2393 0.4153 0.0329 0.037 Uiso 1 1 calc R . .
C29 C 0.0145(4) 0.4896(3) 0.03669(16) 0.0327(7) Uani 1 1 d . . .
N30 N -0.1046(4) 0.5218(3) 0.07723(15) 0.0422(7) Uani 1 1 d . . .
C31 C 0.3309(4) 0.3739(3) 0.16515(16) 0.0361(7) Uani 1 1 d . . .
N32 N 0.3227(4) 0.3674(2) 0.23331(14) 0.0361(6) Uani 1 1 d . . .
C33 C 0.4532(4) 0.3248(3) 0.26937(18) 0.0404(8) Uani 1 1 d . . .
H33 H 0.4494 0.3206 0.3161 0.048 Uiso 1 1 calc R . .
C34 C 0.5931(5) 0.2868(4) 0.2408(2) 0.0491(10) Uani 1 1 d . . .
H34 H 0.6819 0.2572 0.2677 0.059 Uiso 1 1 calc R . .
C35 C 0.5998(5) 0.2932(4) 0.1719(2) 0.0516(10) Uani 1 1 d . . .
H35 H 0.6931 0.2677 0.1513 0.062 Uiso 1 1 calc R . .
C36 C 0.4672(5) 0.3375(3) 0.13405(19) 0.0467(9) Uani 1 1 d . . .
H36 H 0.4696 0.3430 0.0872 0.056 Uiso 1 1 calc R . .
P1 P 0.65523(14) 0.24838(10) 0.46299(6) 0.0532(3) Uani 1 1 d D . .
F1 F 0.705(4) 0.1076(12) 0.4773(10) 0.124(5) Uani 0.50 1 d PD . .
F1A F 0.504(2) 0.207(4) 0.4480(11) 0.089(6) Uani 0.50 1 d PD . .
F2 F 0.501(2) 0.239(4) 0.4324(11) 0.089(6) Uani 0.50 1 d PD . .
F2A F 0.5584(14) 0.3808(7) 0.4237(5) 0.097(2) Uani 0.50 1 d PD . .
F3 F 0.6221(15) 0.3873(7) 0.4511(5) 0.097(2) Uani 0.50 1 d PD . .
F3A F 0.7962(12) 0.3110(10) 0.4705(5) 0.101(3) Uani 0.50 1 d PD . .
F4 F 0.8224(12) 0.2397(10) 0.4978(5) 0.101(3) Uani 0.50 1 d PD . .
F4A F 0.730(4) 0.1132(13) 0.4950(10) 0.124(5) Uani 0.50 1 d PD . .
F5 F 0.5817(4) 0.2525(4) 0.53495(15) 0.1013(12) Uani 1 1 d D . .
F6 F 0.7283(4) 0.2475(3) 0.38993(14) 0.0780(8) Uani 1 1 d D . .
P2 P 0.33892(15) 0.75114(11) 0.03721(6) 0.0584(3) Uani 1 1 d D . .
F7 F 0.3434(4) 0.6383(3) 0.10072(15) 0.0787(8) Uani 1 1 d D . .
F8 F 0.1678(4) 0.7982(5) 0.0534(2) 0.143(2) Uani 1 1 d D . .
F9 F 0.3415(6) 0.8613(4) -0.0253(2) 0.1400(18) Uani 1 1 d D . .
F10 F 0.5171(4) 0.7047(4) 0.02303(17) 0.0953(11) Uani 1 1 d D . .
F11 F 0.2883(4) 0.6815(4) -0.01172(17) 0.0969(11) Uani 1 1 d D . .
F12 F 0.3938(6) 0.8184(3) 0.08783(19) 0.1151(14) Uani 1 1 d D . .
N100 N 0.7625(15) 0.8277(10) 0.3301(8) 0.220(7) Uani 1 1 d D . .
C101 C 0.6709(17) 0.8983(11) 0.3510(4) 0.168(8) Uani 1 1 d D . .
C102 C 0.5396(15) 0.9908(9) 0.3707(5) 0.162(5) Uani 1 1 d D . .
H10A H 0.5818 1.0569 0.3784 0.243 Uiso 1 1 calc R . .
H10B H 0.4893 0.9522 0.4119 0.243 Uiso 1 1 calc R . .
H10C H 0.4653 1.0212 0.3341 0.243 Uiso 1 1 calc R . .
N110 N 0.4018(16) 1.0341(14) 0.2116(9) 0.222(7) Uani 1 1 d D . .
C111 C 0.511(2) 0.9923(11) 0.1854(6) 0.185(9) Uani 1 1 d D . .
C112 C 0.6612(15) 0.9371(10) 0.1575(6) 0.160(5) Uani 1 1 d D . .
H11A H 0.7183 1.0001 0.1354 0.240 Uiso 1 1 calc R . .
H11B H 0.6398 0.8952 0.1248 0.240 Uiso 1 1 calc R . .
H11C H 0.7216 0.8808 0.1945 0.240 Uiso 1 1 calc R . .
N120 N -0.0128(9) 0.1263(9) 0.1270(4) 0.152(3) Uani 1 1 d D . .
C121 C 0.0701(9) 0.1296(7) 0.0823(4) 0.099(2) Uani 1 1 d D . .
C122 C 0.1763(9) 0.1302(6) 0.0249(4) 0.113(3) Uani 1 1 d D . .
H12A H 0.1220 0.1249 -0.0140 0.169 Uiso 1 1 calc R . .
H12B H 0.2597 0.0620 0.0370 0.169 Uiso 1 1 calc R . .
H12C H 0.2179 0.2041 0.0135 0.169 Uiso 1 1 calc R . .

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 0.0328(2) 0.03981(16) 0.02223(17) -0.00644(10) -0.00470(11) 0.00013(10)
N1 0.0324(17) 0.0422(15) 0.0354(16) -0.0037(12) -0.0026(12) 0.0027(12)
C2 0.048(3) 0.0443(19) 0.048(2) -0.0097(16) -0.0018(18) 0.0006(16)
C3 0.057(3) 0.049(2) 0.073(3) -0.016(2) 0.004(2) -0.0031(19)
C4 0.070(3) 0.044(2) 0.070(3) 0.000(2) 0.020(3) 0.000(2)
C5 0.053(3) 0.053(2) 0.050(3) 0.0053(18) 0.006(2) 0.0074(19)
C6 0.036(2) 0.051(2) 0.037(2) 0.0046(15) 0.0004(16) 0.0066(15)
C7 0.031(2) 0.066(2) 0.0315(19) -0.0036(16) -0.0039(15) 0.0041(16)
N8 0.0295(18) 0.0610(18) 0.0275(15) -0.0104(13) -0.0025(12) 0.0057(13)
C9 0.038(2) 0.071(2) 0.035(2) -0.0250(17) -0.0058(16) -0.0001(17)
C10 0.057(3) 0.095(3) 0.043(3) -0.032(2) -0.008(2) -0.007(2)
C11 0.063(3) 0.114(4) 0.027(2) -0.020(2) -0.009(2) -0.005(3)
C12 0.048(3) 0.091(3) 0.033(2) 0.000(2) -0.0035(18) -0.003(2)
C13 0.034(2) 0.064(2) 0.046(2) -0.0288(18) -0.0018(17) -0.0019(17)
N14 0.0328(18) 0.0465(15) 0.0398(17) -0.0193(13) -0.0017(13) -0.0004(12)
C15 0.036(2) 0.049(2) 0.053(2) -0.0151(17) 0.0013(17) -0.0010(16)
C16 0.055(3) 0.045(2) 0.080(3) -0.021(2) 0.007(2) -0.0015(18)
C17 0.057(3) 0.062(3) 0.087(4) -0.041(3) 0.007(3) -0.009(2)
C18 0.050(3) 0.075(3) 0.065(3) -0.043(2) 0.004(2) -0.008(2)
N19 0.0359(18) 0.0398(14) 0.0296(15) -0.0077(11) -0.0021(12) -0.0034(11)
C20 0.037(2) 0.060(2) 0.034(2) -0.0120(16) -0.0008(16) -0.0047(16)
C21 0.045(3) 0.063(2) 0.049(3) -0.0150(19) 0.0045(19) 0.0024(18)
C22 0.027(2) 0.070(3) 0.063(3) -0.012(2) -0.0074(19) 0.0053(18)
C23 0.049(3) 0.052(2) 0.046(2) -0.0052(17) -0.0129(19) -0.0006(17)
C24 0.036(2) 0.0380(16) 0.0320(18) -0.0061(13) -0.0071(15) -0.0031(13)
C25 0.037(2) 0.0374(16) 0.0262(16) -0.0040(12) -0.0097(14) -0.0037(13)
N26 0.0377(18) 0.0345(13) 0.0285(15) -0.0055(10) -0.0033(12) -0.0024(11)
C27 0.041(2) 0.0349(15) 0.0283(17) -0.0048(12) -0.0027(14) -0.0045(13)
C28 0.0343(19) 0.0360(15) 0.0204(15) -0.0074(11) -0.0038(13) -0.0015(12)
C29 0.036(2) 0.0359(16) 0.0239(17) -0.0060(11) -0.0051(14) -0.0023(13)
N30 0.047(2) 0.0456(15) 0.0310(16) -0.0076(12) -0.0056(14) -0.0031(13)
C31 0.046(2) 0.0379(16) 0.0238(16) -0.0088(12) 0.0007(14) -0.0048(14)
N32 0.0367(18) 0.0400(14) 0.0292(15) -0.0080(11) -0.0025(12) -0.0013(11)
C33 0.039(2) 0.0463(18) 0.0316(19) -0.0059(14) -0.0070(15) -0.0019(15)
C34 0.036(2) 0.057(2) 0.049(2) -0.0103(17) -0.0075(18) 0.0023(17)
C35 0.049(3) 0.057(2) 0.045(2) -0.0154(17) 0.0085(19) 0.0005(18)
C36 0.058(3) 0.050(2) 0.0307(19) -0.0134(15) 0.0036(17) -0.0025(17)
P1 0.0501(7) 0.0712(7) 0.0411(6) -0.0192(5) -0.0048(5) -0.0093(5)
F1 0.141(10) 0.104(3) 0.081(9) 0.020(4) -0.021(8) 0.036(4)
F1A 0.061(2) 0.153(17) 0.066(9) -0.046(10) -0.004(4) -0.026(5)
F2 0.061(2) 0.153(17) 0.066(9) -0.046(10) -0.004(4) -0.026(5)
F2A 0.132(9) 0.072(2) 0.080(6) -0.022(3) 0.023(4) -0.005(4)
F3 0.132(9) 0.072(2) 0.080(6) -0.022(3) 0.023(4) -0.005(4)
F3A 0.070(4) 0.175(10) 0.088(7) -0.070(6) 0.013(4) -0.050(6)
F4 0.070(4) 0.175(10) 0.088(7) -0.070(6) 0.013(4) -0.050(6)
F4A 0.141(10) 0.104(3) 0.081(9) 0.020(4) -0.021(8) 0.036(4)
F5 0.081(2) 0.190(4) 0.0482(17) -0.049(2) 0.0086(16) -0.038(2)
F6 0.071(2) 0.109(2) 0.0497(16) -0.0258(15) 0.0017(14) 0.0034(16)
P2 0.0622(8) 0.0614(6) 0.0427(6) -0.0092(5) -0.0025(5) 0.0060(5)
F7 0.084(2) 0.0732(17) 0.0674(19) -0.0018(14) -0.0021(16) -0.0091(15)
F8 0.083(3) 0.234(5) 0.074(3) -0.042(3) -0.012(2) 0.073(3)
F9 0.197(5) 0.108(3) 0.077(3) 0.027(2) -0.010(3) 0.000(3)
F10 0.059(2) 0.155(3) 0.068(2) -0.027(2) 0.0039(16) -0.013(2)
F11 0.090(3) 0.147(3) 0.072(2) -0.051(2) 0.0061(19) -0.038(2)
F12 0.185(4) 0.088(2) 0.082(2) -0.0379(19) -0.007(3) -0.025(2)
N100 0.187(12) 0.148(10) 0.312(17) 0.010(9) -0.095(11) -0.068(8)
C101 0.30(2) 0.160(10) 0.063(5) 0.041(6) -0.064(8) -0.162(13)
C102 0.277(15) 0.102(6) 0.129(9) -0.044(6) 0.049(9) -0.083(8)
N110 0.189(13) 0.159(9) 0.293(18) 0.027(10) -0.025(11) -0.081(9)
C111 0.31(2) 0.157(13) 0.105(8) 0.034(7) -0.082(12) -0.166(16)
C112 0.207(13) 0.134(9) 0.129(9) -0.006(6) 0.027(9) -0.056(9)
N120 0.120(6) 0.253(10) 0.089(5) -0.079(6) -0.021(4) 0.009(6)
C121 0.109(6) 0.111(5) 0.078(5) -0.041(4) -0.026(4) 0.007(4)
C122 0.100(6) 0.092(5) 0.135(7) -0.019(4) 0.021(5) -0.010(4)

_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_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ru1 N26 . . 1.973(3) Y
Ru1 N8 . . 1.998(3) Y
Ru1 N19 . . 2.070(3) Y
Ru1 N1 . . 2.076(3) Y
Ru1 N14 . . 2.079(3) Y
Ru1 N32 . . 2.084(3) Y
N1 C2 . . 1.337(5) Y
N1 C6 . . 1.384(5) Y
C2 C3 . . 1.379(6) Y
C2 H2 . . 0.94 ?
C3 C4 . . 1.381(7) Y
C3 H3 . . 0.94 ?
C4 C5 . . 1.372(7) Y
C4 H4 . . 0.94 ?
C5 C6 . . 1.381(6) Y
C5 H5 . . 0.94 ?
C6 C7 . . 1.456(6) Y
C7 N8 . . 1.340(5) Y
C7 C12 . . 1.398(5) Y
N8 C9 . . 1.351(5) Y
C9 C10 . . 1.388(6) Y
C9 C13 . . 1.464(6) Y
C10 C11 . . 1.367(8) Y
C10 H10 . . 0.94 ?
C11 C12 . . 1.375(7) Y
C11 H11 . . 0.94 ?
C12 H12 . . 0.94 ?
C13 N14 . . 1.370(5) Y
C13 C18 . . 1.397(6) Y
N14 C15 . . 1.329(5) Y
C15 C16 . . 1.396(6) Y
C15 H15 . . 0.94 ?
C16 C17 . . 1.377(7) Y
C16 H16 . . 0.94 ?
C17 C18 . . 1.375(7) Y
C17 H17 . . 0.94 ?
C18 H18 . . 0.94 ?
N19 C20 . . 1.345(5) Y
N19 C24 . . 1.381(4) Y
C20 C21 . . 1.373(6) Y
C20 H20 . . 0.94 ?
C21 C22 . . 1.397(6) Y
C21 H21 . . 0.94 ?
C22 C23 . . 1.380(6) Y
C22 H22 . . 0.94 ?
C23 C24 . . 1.379(5) Y
C23 H23 . . 0.94 ?
C24 C25 . . 1.467(5) Y
C25 N26 . . 1.347(4) Y
C25 N30 . . 1.350(4) Y
N26 C27 . . 1.354(5) Y
C27 C28 . . 1.353(4) Y
C27 C31 . . 1.469(5) Y
C28 C29 . . 1.374(5) Y
C28 H28 . . 0.94 ?
C29 N30 . . 1.363(5) Y
C29 C29 . 2_565 1.480(6) Y
C31 N32 . . 1.370(4) Y
C31 C36 . . 1.380(5) Y
N32 C33 . . 1.344(4) Y
C33 C34 . . 1.387(6) Y
C33 H33 . . 0.94 ?
C34 C35 . . 1.385(6) Y
C34 H34 . . 0.94 ?
C35 C36 . . 1.379(6) Y
C35 H35 . . 0.94 ?
C36 H36 . . 0.94 ?
P1 F3 . . 1.555(8) Y
P1 F2 . . 1.564(12) Y
P1 F1a . . 1.575(12) Y
P1 F4a . . 1.576(11) Y
P1 F1 . . 1.578(12) Y
P1 F5 . . 1.581(3) Y
P1 F3a . . 1.592(9) Y
P1 F6 . . 1.593(3) Y
P1 F2a . . 1.647(8) Y
P1 F4 . . 1.649(9) Y
F2a F3 . . 0.842(12) Y
F3 F3a . . 1.642(16) Y
F3a F4 . . 0.870(14) Y
P2 F8 . . 1.560(4) Y
P2 F9 . . 1.561(3) Y
P2 F11 . . 1.572(3) Y
P2 F7 . . 1.585(3) Y
P2 F12 . . 1.595(4) Y
P2 F10 . . 1.605(4) Y
N100 C101 . . 1.192(14) Y
C101 C102 . . 1.547(14) Y
C102 H10a . . 0.97 ?
C102 H10b . . 0.97 ?
C102 H10c . . 0.97 ?
N110 C111 . . 1.167(16) Y
C111 C112 . . 1.517(15) Y
C112 H11a . . 0.97 ?
C112 H11b . . 0.97 ?
C112 H11c . . 0.97 ?
N120 C121 . . 1.135(9) Y
C121 C122 . . 1.46(1) Y
C122 H12a . . 0.97 ?
C122 H12b . . 0.97 ?
C122 H12c . . 0.97 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N26 RU1 N8 . . . 179.33(11) Y
N26 RU1 N19 . . . 78.87(12) Y
N8 RU1 N19 . . . 101.80(12) Y
N26 RU1 N1 . . . 101.22(11) Y
N8 RU1 N1 . . . 78.76(13) Y
N19 RU1 N1 . . . 93.70(11) Y
N26 RU1 N14 . . . 101.20(12) Y
N8 RU1 N14 . . . 78.84(13) Y
N19 RU1 N14 . . . 88.54(11) Y
N1 RU1 N14 . . . 157.48(13) Y
N26 RU1 N32 . . . 78.52(12) Y
N8 RU1 N32 . . . 100.81(12) Y
N19 RU1 N32 . . . 157.38(12) Y
N1 RU1 N32 . . . 91.37(12) Y
N14 RU1 N32 . . . 95.13(12) Y
C2 N1 C6 . . . 119.3(3) Y
C2 N1 RU1 . . . 127.4(3) Y
C6 N1 RU1 . . . 113.3(3) Y
N1 C2 C3 . . . 122.3(4) Y
N1 C2 H2 . . . 118.9 ?
C3 C2 H2 . . . 118.9 ?
C2 C3 C4 . . . 118.8(5) Y
C2 C3 H3 . . . 120.6 ?
C4 C3 H3 . . . 120.6 ?
C5 C4 C3 . . . 119.6(4) Y
C5 C4 H4 . . . 120.2 ?
C3 C4 H4 . . . 120.2 ?
C4 C5 C6 . . . 120.4(4) Y
C4 C5 H5 . . . 119.8 ?
C6 C5 H5 . . . 119.8 ?
C5 C6 N1 . . . 119.6(4) Y
C5 C6 C7 . . . 124.9(4) Y
N1 C6 C7 . . . 115.5(3) Y
N8 C7 C12 . . . 119.3(4) Y
N8 C7 C6 . . . 113.5(3) Y
C12 C7 C6 . . . 127.2(4) Y
C7 N8 C9 . . . 122.5(3) Y
C7 N8 RU1 . . . 118.9(3) Y
C9 N8 RU1 . . . 118.6(3) Y
N8 C9 C10 . . . 119.1(4) Y
N8 C9 C13 . . . 113.1(3) Y
C10 C9 C13 . . . 127.8(4) Y
C11 C10 C9 . . . 119.5(5) Y
C11 C10 H10 . . . 120.2 ?
C9 C10 H10 . . . 120.2 ?
C10 C11 C12 . . . 120.6(4) Y
C10 C11 H11 . . . 119.7 ?
C12 C11 H11 . . . 119.7 ?
C11 C12 C7 . . . 119.0(4) Y
C11 C12 H12 . . . 120.5 ?
C7 C12 H12 . . . 120.5 ?
N14 C13 C18 . . . 120.8(4) Y
N14 C13 C9 . . . 115.7(3) Y
C18 C13 C9 . . . 123.5(4) Y
C15 N14 C13 . . . 118.7(3) Y
C15 N14 RU1 . . . 127.7(3) Y
C13 N14 RU1 . . . 113.6(3) Y
N14 C15 C16 . . . 122.9(4) Y
N14 C15 H15 . . . 118.6 ?
C16 C15 H15 . . . 118.6 ?
C17 C16 C15 . . . 118.5(5) Y
C17 C16 H16 . . . 120.8 ?
C15 C16 H16 . . . 120.8 ?
C18 C17 C16 . . . 119.6(4) Y
C18 C17 H17 . . . 120.2 ?
C16 C17 H17 . . . 120.2 ?
C17 C18 C13 . . . 119.5(4) Y
C17 C18 H18 . . . 120.2 ?
C13 C18 H18 . . . 120.2 ?
C20 N19 C24 . . . 117.8(3) Y
C20 N19 RU1 . . . 128.4(2) Y
C24 N19 RU1 . . . 113.7(2) Y
N19 C20 C21 . . . 122.8(4) Y
N19 C20 H20 . . . 118.6 ?
C21 C20 H20 . . . 118.6 ?
C20 C21 C22 . . . 119.1(4) Y
C20 C21 H21 . . . 120.5 ?
C22 C21 H21 . . . 120.5 ?
C23 C22 C21 . . . 119.2(4) Y
C23 C22 H22 . . . 120.4 ?
C21 C22 H22 . . . 120.4 ?
C24 C23 C22 . . . 119.2(4) Y
C24 C23 H23 . . . 120.4 ?
C22 C23 H23 . . . 120.4 ?
C23 C24 N19 . . . 121.9(4) Y
C23 C24 C25 . . . 123.1(3) Y
N19 C24 C25 . . . 115.0(3) Y
N26 C25 N30 . . . 121.8(3) Y
N26 C25 C24 . . . 112.7(3) Y
N30 C25 C24 . . . 125.5(3) Y
C25 N26 C27 . . . 120.5(3) Y
C25 N26 RU1 . . . 119.8(2) Y
C27 N26 RU1 . . . 119.7(2) Y
C28 C27 N26 . . . 119.8(3) Y
C28 C27 C31 . . . 127.4(3) Y
N26 C27 C31 . . . 112.8(3) Y
C27 C28 C29 . . . 118.5(3) Y
C27 C28 H28 . . . 120.8 ?
C29 C28 H28 . . . 120.8 ?
N30 C29 C28 . . . 122.3(3) Y
N30 C29 C29 . . 2_565 118.5(4) Y
C28 C29 C29 . . 2_565 119.3(4) Y
C25 N30 C29 . . . 117.1(3) Y
N32 C31 C36 . . . 121.8(3) Y
N32 C31 C27 . . . 114.8(3) Y
C36 C31 C27 . . . 123.4(3) Y
C33 N32 C31 . . . 117.6(3) Y
C33 N32 RU1 . . . 128.3(3) Y
C31 N32 RU1 . . . 114.1(2) Y
N32 C33 C34 . . . 123.0(4) Y
N32 C33 H33 . . . 118.5 ?
C34 C33 H33 . . . 118.5 ?
C35 C34 C33 . . . 118.9(4) Y
C35 C34 H34 . . . 120.5 ?
C33 C34 H34 . . . 120.5 ?
C36 C35 C34 . . . 118.9(4) Y
C36 C35 H35 . . . 120.6 ?
C34 C35 H35 . . . 120.6 ?
C35 C36 C31 . . . 119.8(4) Y
C35 C36 H36 . . . 120.1 ?
C31 C36 H36 . . . 120.1 ?
F3 P1 F2 . . . 96.20(16) Y
F3 P1 F1A . . . 108.30(15) Y
F3 P1 F4A . . . 158.70(11) Y
F2 P1 F4A . . . 104(2) Y
F1A P1 F4A . . . 90.00(19) Y
F3 P1 F1 . . . 174.40(14) Y
F2 P1 F1 . . . 89.40(19) Y
F1A P1 F1 . . . 77(2) Y
F3 P1 F5 . . . 82.4(5) Y
F2 P1 F5 . . . 93.9(9) Y
F1A P1 F5 . . . 86.3(9) Y
F4A P1 F5 . . . 88.2(1) Y
F1 P1 F5 . . . 97.9(9) Y
F3 P1 F3A . . . 62.9(6) Y
F2 P1 F3A . . . 155.50(13) Y
F1A P1 F3A . . . 170.50(14) Y
F4A P1 F3A . . . 99.30(15) Y
F1 P1 F3A . . . 111.50(14) Y
F5 P1 F3A . . . 95.7(4) Y
F3 P1 F6 . . . 96.3(4) Y
F2 P1 F6 . . . 86.1(9) Y
F1A P1 F6 . . . 94.0(9) Y
F4A P1 F6 . . . 93.1(9) Y
F1 P1 F6 . . . 83.4(9) Y
F5 P1 F6 . . . 178.7(2) Y
F3A P1 F6 . . . 83.9(4) Y
F2 P1 F2A . . . 67.60(15) Y
F1A P1 F2A . . . 81.40(15) Y
F4A P1 F2A . . . 170.90(12) Y
F1 P1 F2A . . . 154.70(11) Y
F5 P1 F2A . . . 94.2(4) Y
F3A P1 F2A . . . 89.2(6) Y
F6 P1 F2A . . . 84.6(4) Y
F3 P1 F4 . . . 90.9(6) Y
F2 P1 F4 . . . 172.90(15) Y
F1A P1 F4 . . . 158.30(14) Y
F4A P1 F4 . . . 69.40(14) Y
F1 P1 F4 . . . 83.50(13) Y
F5 P1 F4 . . . 86.4(4) Y
F6 P1 F4 . . . 93.7(4) Y
F2A P1 F4 . . . 119.5(5) Y
F3 F2A P1 . . . 68.8(9) Y
F2A F3 P1 . . . 80.9(1) Y
F2A F3 F3A . . . 129.80(15) Y
P1 F3 F3A . . . 59.6(5) Y
F4 F3A P1 . . . 78.1(1) Y
F4 F3A F3 . . . 128.10(15) Y
P1 F3A F3 . . . 57.4(5) Y
F3A F4 P1 . . . 70.8(1) Y
F8 P2 F9 . . . 91.7(3) Y
F8 P2 F11 . . . 91.4(2) Y
F9 P2 F11 . . . 88.5(2) Y
F8 P2 F7 . . . 90.4(2) Y
F9 P2 F7 . . . 177.8(3) Y
F11 P2 F7 . . . 92.1(2) Y
F8 P2 F12 . . . 89.7(3) Y
F9 P2 F12 . . . 92.6(2) Y
F11 P2 F12 . . . 178.4(2) Y
F7 P2 F12 . . . 86.67(19) Y
F8 P2 F10 . . . 177.6(2) Y
F9 P2 F10 . . . 88.8(3) Y
F11 P2 F10 . . . 90.9(2) Y
F7 P2 F10 . . . 89.03(19) Y
F12 P2 F10 . . . 88.0(2) Y
N100 C101 C102 . . . 173.0(13) Y
C101 C102 H10A . . . 109.5 ?
C101 C102 H10B . . . 109.5 ?
H10A C102 H10B . . . 109.5 ?
C101 C102 H10C . . . 109.5 ?
H10A C102 H10C . . . 109.5 ?
H10B C102 H10C . . . 109.5 ?
N110 C111 C112 . . . 174.5(15) Y
C111 C112 H11A . . . 109.5 ?
C111 C112 H11B . . . 109.5 ?
H11A C112 H11B . . . 109.5 ?
C111 C112 H11C . . . 109.5 ?
H11A C112 H11C . . . 109.5 ?
H11B C112 H11C . . . 109.5 ?
N120 C121 C122 . . . 178.3(9) Y
C121 C122 H12A . . . 109.5 ?
C121 C122 H12B . . . 109.5 ?
H12A C122 H12B . . . 109.5 ?
C121 C122 H12C . . . 109.5 ?
H12A C122 H12C . . . 109.5 ?
H12B C122 H12C . . . 109.5 ?

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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
N26 RU1 N1 C2 . . . . -3.4(3) Y
N8 RU1 N1 C2 . . . . 177.2(4) Y
N19 RU1 N1 C2 . . . . 75.9(3) Y
N14 RU1 N1 C2 . . . . 171.1(3) Y
N32 RU1 N1 C2 . . . . -82.0(3) Y
N26 RU1 N1 C6 . . . . 177.1(3) Y
N8 RU1 N1 C6 . . . . -2.2(3) Y
N19 RU1 N1 C6 . . . . -103.5(3) Y
N14 RU1 N1 C6 . . . . -8.4(5) Y
N32 RU1 N1 C6 . . . . 98.5(3) Y
C6 N1 C2 C3 . . . . 0.4(6) Y
RU1 N1 C2 C3 . . . . -179.0(3) Y
N1 C2 C3 C4 . . . . -1.8(7) Y
C2 C3 C4 C5 . . . . 1.4(7) Y
C3 C4 C5 C6 . . . . 0.2(7) Y
C4 C5 C6 N1 . . . . -1.5(6) Y
C4 C5 C6 C7 . . . . 176.0(4) Y
C2 N1 C6 C5 . . . . 1.2(6) Y
RU1 N1 C6 C5 . . . . -179.3(3) Y
C2 N1 C6 C7 . . . . -176.5(3) Y
RU1 N1 C6 C7 . . . . 3.0(4) Y
C5 C6 C7 N8 . . . . -179.7(4) Y
N1 C6 C7 N8 . . . . -2.1(5) Y
C5 C6 C7 C12 . . . . 0.7(7) Y
N1 C6 C7 C12 . . . . 178.3(4) Y
C12 C7 N8 C9 . . . . 0.0(6) Y
C6 C7 N8 C9 . . . . -179.7(3) Y
C12 C7 N8 RU1 . . . . 179.8(3) Y
C6 C7 N8 RU1 . . . . 0.1(5) Y
N19 RU1 N8 C7 . . . . 92.7(3) Y
N1 RU1 N8 C7 . . . . 1.2(3) Y
N14 RU1 N8 C7 . . . . 178.8(3) Y
N32 RU1 N8 C7 . . . . -88.1(3) Y
N19 RU1 N8 C9 . . . . -87.6(3) Y
N1 RU1 N8 C9 . . . . -179.0(3) Y
N14 RU1 N8 C9 . . . . -1.4(3) Y
N32 RU1 N8 C9 . . . . 91.7(3) Y
C7 N8 C9 C10 . . . . 0.4(6) Y
RU1 N8 C9 C10 . . . . -179.3(3) Y
C7 N8 C9 C13 . . . . -179.9(3) Y
RU1 N8 C9 C13 . . . . 0.3(5) Y
N8 C9 C10 C11 . . . . -1.1(7) Y
C13 C9 C10 C11 . . . . 179.3(5) Y
C9 C10 C11 C12 . . . . 1.4(8) Y
C10 C11 C12 C7 . . . . -1.0(8) Y
N8 C7 C12 C11 . . . . 0.3(7) Y
C6 C7 C12 C11 . . . . 179.9(4) Y
N8 C9 C13 N14 . . . . 1.8(5) Y
C10 C9 C13 N14 . . . . -178.6(4) Y
N8 C9 C13 C18 . . . . -179.0(4) Y
C10 C9 C13 C18 . . . . 0.6(7) Y
C18 C13 N14 C15 . . . . -2.9(6) Y
C9 C13 N14 C15 . . . . 176.3(4) Y
C18 C13 N14 RU1 . . . . 177.8(3) Y
C9 C13 N14 RU1 . . . . -2.9(4) Y
N26 RU1 N14 C15 . . . . 3.9(4) Y
N8 RU1 N14 C15 . . . . -176.8(4) Y
N19 RU1 N14 C15 . . . . -74.4(3) Y
N1 RU1 N14 C15 . . . . -170.6(3) Y
N32 RU1 N14 C15 . . . . 83.2(3) Y
N26 RU1 N14 C13 . . . . -177.0(3) Y
N8 RU1 N14 C13 . . . . 2.4(3) Y
N19 RU1 N14 C13 . . . . 104.7(3) Y
N1 RU1 N14 C13 . . . . 8.5(5) Y
N32 RU1 N14 C13 . . . . -97.7(3) Y
C13 N14 C15 C16 . . . . 2.8(6) Y
RU1 N14 C15 C16 . . . . -178.1(3) Y
N14 C15 C16 C17 . . . . -0.2(7) Y
C15 C16 C17 C18 . . . . -2.2(7) Y
C16 C17 C18 C13 . . . . 2.0(7) Y
N14 C13 C18 C17 . . . . 0.6(7) Y
C9 C13 C18 C17 . . . . -178.6(4) Y
N26 RU1 N19 C20 . . . . -178.9(3) Y
N8 RU1 N19 C20 . . . . 1.1(3) Y
N1 RU1 N19 C20 . . . . 80.4(3) Y
N14 RU1 N19 C20 . . . . -77.2(3) Y
N32 RU1 N19 C20 . . . . -177.0(3) Y
N26 RU1 N19 C24 . . . . -2.0(2) Y
N8 RU1 N19 C24 . . . . 178.0(2) Y
N1 RU1 N19 C24 . . . . -102.7(2) Y
N14 RU1 N19 C24 . . . . 99.7(2) Y
N32 RU1 N19 C24 . . . . -0.1(4) Y
C24 N19 C20 C21 . . . . -2.6(6) Y
RU1 N19 C20 C21 . . . . 174.1(3) Y
N19 C20 C21 C22 . . . . 2.2(7) Y
C20 C21 C22 C23 . . . . -0.9(7) Y
C21 C22 C23 C24 . . . . 0.3(6) Y
C22 C23 C24 N19 . . . . -0.9(6) Y
C22 C23 C24 C25 . . . . -178.9(4) Y
C20 N19 C24 C23 . . . . 2.0(5) Y
RU1 N19 C24 C23 . . . . -175.3(3) Y
C20 N19 C24 C25 . . . . -179.9(3) Y
RU1 N19 C24 C25 . . . . 2.9(4) Y
C23 C24 C25 N26 . . . . 175.8(3) Y
N19 C24 C25 N26 . . . . -2.3(4) Y
C23 C24 C25 N30 . . . . -3.4(6) Y
N19 C24 C25 N30 . . . . 178.4(3) Y
N30 C25 N26 C27 . . . . 0.0(5) Y
C24 C25 N26 C27 . . . . -179.3(3) Y
N30 C25 N26 RU1 . . . . 179.9(2) Y
C24 C25 N26 RU1 . . . . 0.6(4) Y
N19 RU1 N26 C25 . . . . 0.7(2) Y
N1 RU1 N26 C25 . . . . 92.4(3) Y
N14 RU1 N26 C25 . . . . -85.5(3) Y
N32 RU1 N26 C25 . . . . -178.5(3) Y
N19 RU1 N26 C27 . . . . -179.3(3) Y
N1 RU1 N26 C27 . . . . -87.7(3) Y
N14 RU1 N26 C27 . . . . 94.4(3) Y
N32 RU1 N26 C27 . . . . 1.4(2) Y
C25 N26 C27 C28 . . . . -1.2(5) Y
RU1 N26 C27 C28 . . . . 178.9(2) Y
C25 N26 C27 C31 . . . . 178.5(3) Y
RU1 N26 C27 C31 . . . . -1.5(4) Y
N26 C27 C28 C29 . . . . 1.9(5) Y
C31 C27 C28 C29 . . . . -177.7(3) Y
C27 C28 C29 N30 . . . . -1.4(5) Y
C27 C28 C29 C29 . . . 2_565 178.6(4) Y
N26 C25 N30 C29 . . . . 0.5(5) Y
C24 C25 N30 C29 . . . . 179.7(3) Y
C28 C29 N30 C25 . . . . 0.2(5) Y
C29 C29 N30 C25 2_565 . . . -179.8(4) Y
C28 C27 C31 N32 . . . . -179.9(3) Y
N26 C27 C31 N32 . . . . 0.5(4) Y
C28 C27 C31 C36 . . . . 0.4(6) Y
N26 C27 C31 C36 . . . . -179.3(3) Y
C36 C31 N32 C33 . . . . 0.4(5) Y
C27 C31 N32 C33 . . . . -179.4(3) Y
C36 C31 N32 RU1 . . . . -179.6(3) Y
C27 C31 N32 RU1 . . . . 0.6(4) Y
N26 RU1 N32 C33 . . . . 178.9(3) Y
N8 RU1 N32 C33 . . . . -1.1(3) Y
N19 RU1 N32 C33 . . . . 177.1(3) Y
N1 RU1 N32 C33 . . . . -79.9(3) Y
N14 RU1 N32 C33 . . . . 78.5(3) Y
N26 RU1 N32 C31 . . . . -1.0(2) Y
N8 RU1 N32 C31 . . . . 179.0(2) Y
N19 RU1 N32 C31 . . . . -2.9(4) Y
N1 RU1 N32 C31 . . . . 100.2(2) Y
N14 RU1 N32 C31 . . . . -101.4(2) Y
C31 N32 C33 C34 . . . . -0.6(5) Y
RU1 N32 C33 C34 . . . . 179.5(3) Y
N32 C33 C34 C35 . . . . 0.3(6) Y
C33 C34 C35 C36 . . . . 0.2(6) Y
C34 C35 C36 C31 . . . . -0.4(6) Y
N32 C31 C36 C35 . . . . 0.0(6) Y
C27 C31 C36 C35 . . . . 179.8(3) Y
F2 P1 F2A F3 . . . . 160(2) Y
F1A P1 F2A F3 . . . . 152.70(18) Y
F1 P1 F2A F3 . . . . -174(3) Y
F5 P1 F2A F3 . . . . 67.10(16) Y
F3A P1 F2A F3 . . . . -28.50(16) Y
F6 P1 F2A F3 . . . . -112.40(16) Y
F4 P1 F2A F3 . . . . -21.20(19) Y
P1 F2A F3 F3A . . . . 37.00(15) Y
F2 P1 F3 F2A . . . . -18.90(19) Y
F4A P1 F3 F2A . . . . -177(3) Y
F5 P1 F3 F2A . . . . -112.00(16) Y
F3A P1 F3 F2A . . . . 147.60(18) Y
F6 P1 F3 F2A . . . . 67.80(16) Y
F4 P1 F3 F2A . . . . 161.70(17) Y
F2 P1 F3 F3A . . . . -166.50(11) Y
F1A P1 F3 F3A . . . . -176.1(9) Y
F4A P1 F3 F3A . . . . 36(4) Y
F5 P1 F3 F3A . . . . 100.4(5) Y
F6 P1 F3 F3A . . . . -79.8(5) Y
F2A P1 F3 F3A . . . . -147.60(18) Y
F4 P1 F3 F3A . . . . 14.1(8) Y
F3 P1 F3A F4 . . . . 151.90(17) Y
F2 P1 F3A F4 . . . . -174(3) Y
F4A P1 F3A F4 . . . . -15.70(19) Y
F1 P1 F3A F4 . . . . -27.30(18) Y
F5 P1 F3A F4 . . . . 73.40(15) Y
F6 P1 F3A F4 . . . . -107.80(15) Y
F2A P1 F3A F4 . . . . 167.60(16) Y
F2 P1 F3A F3 . . . . 34(3) Y
F4A P1 F3A F3 . . . . -167.60(11) Y
F1 P1 F3A F3 . . . . -179.3(8) Y
F5 P1 F3A F3 . . . . -78.5(5) Y
F6 P1 F3A F3 . . . . 100.3(5) Y
F2A P1 F3A F3 . . . . 15.7(7) Y
F4 P1 F3A F3 . . . . -151.90(17) Y
F2A F3 F3A F4 . . . . -79(3) Y
P1 F3 F3A F4 . . . . -36(2) Y
F2A F3 F3A P1 . . . . -43(2) Y
F3 F3A F4 P1 . . . . 30.30(15) Y
F3 P1 F4 F3A . . . . -24.80(16) Y
F1A P1 F4 F3A . . . . -178(3) Y
F4A P1 F4 F3A . . . . 163(2) Y
F1 P1 F4 F3A . . . . 154.50(17) Y
F5 P1 F4 F3A . . . . -107.10(15) Y
F6 P1 F4 F3A . . . . 71.60(15) Y
F2A P1 F4 F3A . . . . -14.30(18) Y

_diffrn_measured_fraction_theta_max 0.951
_diffrn_reflns_theta_full        72.83
_diffrn_measured_fraction_theta_full 0.951
_refine_diff_density_max         0.784
_refine_diff_density_min         -0.584
_refine_diff_density_rms         0.100