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

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#
#                 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.
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data_senju11

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C19 H27 N7'
_chemical_formula_sum            'C19 H27 N7'
_chemical_formula_weight         353.48

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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c
_symmetry_space_group_name_Hall  -C2yc

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                   16.6894(3)
_cell_length_b                   13.1912(2)
_cell_length_c                   17.1396(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 107.7520(10)
_cell_angle_gamma                90.00
_cell_volume                     3593.67(11)
_cell_formula_units_Z            8
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    9888
_cell_measurement_theta_min      4.36
_cell_measurement_theta_max      72.14

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      1.307
_exptl_crystal_density_diffrn    1.307
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1520
_exptl_absorpt_coefficient_mu    0.654
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8804
_exptl_absorpt_correction_T_max  0.9618
_exptl_absorpt_process_details   'Bruker-AXS (scale, Bruker)'

_exptl_special_details           
; 
X-ray crystallographic data for the compound was collected from a single crystal
sample, which was mounted on a loop fiber. Data was collected using
a Bruker Platform diffractometer, equipped with a Bruker SMART 4K
Charged-Coupled Device (CCD) Area Detector using the program APEX2 and
a Nonius FR591 rotating anode equiped with a Montel 200 optics
The crystal-to-detector distance was 5.0 cm, and the data collection
was carried out in 512 x 512 pixel mode.
The initial unit cell parameters were determined by a least-squares fit
of the angular setting of strong reflections, collected by a 10.0 degree
scan in 33 frames over four different parts of the reciprocal space
(132 frames total).  One complete sphere of data was collected, to
better than 0.80Å resolution. 
;

_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            17487
_diffrn_reflns_av_R_equivalents  0.0390
_diffrn_reflns_av_sigmaI/netI    0.0277
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         4.36
_diffrn_reflns_theta_max         72.44
_reflns_number_total             3481
_reflns_number_gt                2957
_reflns_threshold_expression     >2sigma(I)

_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    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1108P)²+8.0202P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0018(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         3481
_refine_ls_number_parameters     238
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0817
_refine_ls_R_factor_gt           0.0727
_refine_ls_wR_factor_ref         0.2055
_refine_ls_wR_factor_gt          0.1959
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
N1 N 0.11631(11) 0.01227(14) 0.36673(11) 0.0237(4) Uani 1 1 d . . .
N2 N 0.02204(12) 0.11619(15) 0.40184(12) 0.0299(5) Uani 1 1 d . . .
N3 N -0.07636(12) 0.18053(15) 0.46207(13) 0.0302(5) Uani 1 1 d . . .
N4 N 0.04066(13) 0.27882(15) 0.45530(14) 0.0343(5) Uani 1 1 d . . .
N5 N 0.19475(12) -0.11092(14) 0.32702(12) 0.0281(5) Uani 1 1 d . . .
N6 N 0.25596(14) -0.21500(17) 0.24849(13) 0.0361(5) Uani 1 1 d . . .
N7 N 0.30552(17) -0.04931(17) 0.28814(17) 0.0475(7) Uani 1 1 d . . .
C1 C 0.10617(14) 0.08898(16) 0.41409(13) 0.0229(5) Uani 1 1 d . . .
C2 C 0.17481(14) 0.13352(17) 0.47236(14) 0.0259(5) Uani 1 1 d . . .
H2 H 0.1673 0.1880 0.5057 0.031 Uiso 1 1 calc R . .
C3 C 0.25377(15) 0.09542(17) 0.47959(14) 0.0284(5) Uani 1 1 d . . .
H3 H 0.3014 0.1247 0.5184 0.034 Uiso 1 1 calc R . .
C4 C 0.26528(14) 0.01567(18) 0.43170(15) 0.0292(5) Uani 1 1 d . . .
H4 H 0.3196 -0.0108 0.4369 0.035 Uiso 1 1 calc R . .
C5 C 0.19322(14) -0.02400(16) 0.37541(13) 0.0245(5) Uani 1 1 d . . .
C6 C -0.04501(15) 0.0563(2) 0.34502(16) 0.0378(6) Uani 1 1 d . . .
H6A H -0.0200 0.0003 0.3217 0.045 Uiso 1 1 calc R . .
H6B H -0.0778 0.0998 0.2994 0.045 Uiso 1 1 calc R . .
C7 C -0.10064(19) 0.0147(2) 0.38911(19) 0.0478(7) Uani 1 1 d . . .
H7A H -0.0684 -0.0312 0.4332 0.057 Uiso 1 1 calc R . .
H7B H -0.1465 -0.0248 0.3510 0.057 Uiso 1 1 calc R . .
C8 C -0.13729(16) 0.1010(2) 0.42545(18) 0.0371(6) Uani 1 1 d . . .
H8A H -0.1845 0.1314 0.3819 0.045 Uiso 1 1 calc R . .
H8B H -0.1603 0.0735 0.4679 0.045 Uiso 1 1 calc R . .
C9 C -0.11340(15) 0.2671(2) 0.49153(16) 0.0345(6) Uani 1 1 d . . .
H9A H -0.1505 0.2429 0.5230 0.041 Uiso 1 1 calc R . .
H9B H -0.1479 0.3072 0.4444 0.041 Uiso 1 1 calc R . .
C10 C -0.04450(17) 0.3328(2) 0.54542(17) 0.0404(7) Uani 1 1 d . . .
H10A H -0.0132 0.2950 0.5953 0.048 Uiso 1 1 calc R . .
H10B H -0.0691 0.3941 0.5624 0.048 Uiso 1 1 calc R . .
C11 C 0.01436(19) 0.3629(2) 0.4974(2) 0.0437(7) Uani 1 1 d . . .
H11A H -0.0138 0.4146 0.4564 0.052 Uiso 1 1 calc R . .
H11B H 0.0651 0.3946 0.5354 0.052 Uiso 1 1 calc R . .
C12 C -0.00371(14) 0.19801(17) 0.44131(13) 0.0250(5) Uani 1 1 d . . .
C13 C 0.11596(15) -0.16849(18) 0.29801(16) 0.0324(6) Uani 1 1 d . . .
H13A H 0.0799 -0.1390 0.2461 0.039 Uiso 1 1 calc R . .
H13B H 0.0852 -0.1646 0.3390 0.039 Uiso 1 1 calc R . .
C14 C 0.13528(17) -0.27820(19) 0.28453(17) 0.0382(6) Uani 1 1 d . . .
H14A H 0.1689 -0.3089 0.3370 0.046 Uiso 1 1 calc R . .
H14B H 0.0822 -0.3170 0.2636 0.046 Uiso 1 1 calc R . .
C15 C 0.18333(18) -0.2822(2) 0.22396(17) 0.0420(7) Uani 1 1 d . . .
H15A H 0.2024 -0.3525 0.2199 0.050 Uiso 1 1 calc R . .
H15B H 0.1462 -0.2618 0.1693 0.050 Uiso 1 1 calc R . .
C16 C 0.30965(18) -0.2248(2) 0.19625(17) 0.0444(7) Uani 1 1 d . . .
H16A H 0.2799 -0.1982 0.1410 0.053 Uiso 1 1 calc R . .
H16B H 0.3223 -0.2973 0.1907 0.053 Uiso 1 1 calc R . .
C17 C 0.3881(2) -0.1690(3) 0.2307(2) 0.0537(8) Uani 1 1 d . . .
H17A H 0.4216 -0.1708 0.1920 0.064 Uiso 1 1 calc R . .
H17B H 0.4215 -0.2012 0.2826 0.064 Uiso 1 1 calc R . .
C18 C 0.3691(2) -0.0612(2) 0.2464(3) 0.0616(10) Uani 1 1 d . . .
H18A H 0.4217 -0.0284 0.2798 0.074 Uiso 1 1 calc R . .
H18B H 0.3499 -0.0250 0.1934 0.074 Uiso 1 1 calc R . .
C19 C 0.25560(15) -0.12172(17) 0.28589(14) 0.0290(5) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
N1 C5 1.335(3) . ?
N1 C1 1.340(3) . ?
N2 C1 1.402(3) . ?
N2 C12 1.409(3) . ?
N2 C6 1.470(3) . ?
N3 C12 1.383(3) . ?
N3 C9 1.460(3) . ?
N3 C8 1.463(3) . ?
N4 C12 1.278(3) . ?
N4 C11 1.462(3) . ?
N5 C19 1.409(3) . ?
N5 C5 1.420(3) . ?
N5 C13 1.468(3) . ?
N6 C19 1.388(3) . ?
N6 C16 1.453(3) . ?
N6 C15 1.457(4) . ?
N7 C19 1.260(3) . ?
N7 C18 1.457(4) . ?
C1 C2 1.399(3) . ?
C2 C3 1.380(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.383(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.394(3) . ?
C4 H4 0.9500 . ?
C6 C7 1.470(4) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.514(4) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.510(4) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.514(4) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C13 C14 1.516(3) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.494(4) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.460(5) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.499(5) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?

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
C5 N1 C1 119.86(19) . . ?
C1 N2 C12 124.24(19) . . ?
C1 N2 C6 119.15(19) . . ?
C12 N2 C6 116.60(19) . . ?
C12 N3 C9 117.1(2) . . ?
C12 N3 C8 124.0(2) . . ?
C9 N3 C8 113.40(19) . . ?
C12 N4 C11 118.8(2) . . ?
C19 N5 C5 121.19(19) . . ?
C19 N5 C13 119.08(19) . . ?
C5 N5 C13 116.23(18) . . ?
C19 N6 C16 117.0(2) . . ?
C19 N6 C15 123.5(2) . . ?
C16 N6 C15 112.5(2) . . ?
C19 N7 C18 118.5(2) . . ?
N1 C1 C2 121.5(2) . . ?
N1 C1 N2 114.11(19) . . ?
C2 C1 N2 124.3(2) . . ?
C3 C2 C1 117.6(2) . . ?
C3 C2 H2 121.2 . . ?
C1 C2 H2 121.2 . . ?
C2 C3 C4 121.7(2) . . ?
C2 C3 H3 119.2 . . ?
C4 C3 H3 119.2 . . ?
C3 C4 C5 116.7(2) . . ?
C3 C4 H4 121.6 . . ?
C5 C4 H4 121.6 . . ?
N1 C5 C4 122.7(2) . . ?
N1 C5 N5 114.34(19) . . ?
C4 C5 N5 122.8(2) . . ?
N2 C6 C7 109.4(2) . . ?
N2 C6 H6A 109.8 . . ?
C7 C6 H6A 109.8 . . ?
N2 C6 H6B 109.8 . . ?
C7 C6 H6B 109.8 . . ?
H6A C6 H6B 108.2 . . ?
C6 C7 C8 109.2(2) . . ?
C6 C7 H7A 109.8 . . ?
C8 C7 H7A 109.8 . . ?
C6 C7 H7B 109.8 . . ?
C8 C7 H7B 109.8 . . ?
H7A C7 H7B 108.3 . . ?
N3 C8 C7 113.6(2) . . ?
N3 C8 H8A 108.8 . . ?
C7 C8 H8A 108.8 . . ?
N3 C8 H8B 108.8 . . ?
C7 C8 H8B 108.8 . . ?
H8A C8 H8B 107.7 . . ?
N3 C9 C10 109.69(19) . . ?
N3 C9 H9A 109.7 . . ?
C10 C9 H9A 109.7 . . ?
N3 C9 H9B 109.7 . . ?
C10 C9 H9B 109.7 . . ?
H9A C9 H9B 108.2 . . ?
C9 C10 C11 108.5(2) . . ?
C9 C10 H10A 110.0 . . ?
C11 C10 H10A 110.0 . . ?
C9 C10 H10B 110.0 . . ?
C11 C10 H10B 110.0 . . ?
H10A C10 H10B 108.4 . . ?
N4 C11 C10 114.3(2) . . ?
N4 C11 H11A 108.7 . . ?
C10 C11 H11A 108.7 . . ?
N4 C11 H11B 108.7 . . ?
C10 C11 H11B 108.7 . . ?
H11A C11 H11B 107.6 . . ?
N4 C12 N3 126.4(2) . . ?
N4 C12 N2 119.0(2) . . ?
N3 C12 N2 114.6(2) . . ?
N5 C13 C14 109.6(2) . . ?
N5 C13 H13A 109.7 . . ?
C14 C13 H13A 109.7 . . ?
N5 C13 H13B 109.7 . . ?
C14 C13 H13B 109.7 . . ?
H13A C13 H13B 108.2 . . ?
C15 C14 C13 108.9(2) . . ?
C15 C14 H14A 109.9 . . ?
C13 C14 H14A 109.9 . . ?
C15 C14 H14B 109.9 . . ?
C13 C14 H14B 109.9 . . ?
H14A C14 H14B 108.3 . . ?
N6 C15 C14 110.7(2) . . ?
N6 C15 H15A 109.5 . . ?
C14 C15 H15A 109.5 . . ?
N6 C15 H15B 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 108.1 . . ?
N6 C16 C17 110.6(2) . . ?
N6 C16 H16A 109.5 . . ?
C17 C16 H16A 109.5 . . ?
N6 C16 H16B 109.5 . . ?
C17 C16 H16B 109.5 . . ?
H16A C16 H16B 108.1 . . ?
C16 C17 C18 109.8(3) . . ?
C16 C17 H17A 109.7 . . ?
C18 C17 H17A 109.7 . . ?
C16 C17 H17B 109.7 . . ?
C18 C17 H17B 109.7 . . ?
H17A C17 H17B 108.2 . . ?
N7 C18 C17 114.6(3) . . ?
N7 C18 H18A 108.6 . . ?
C17 C18 H18A 108.6 . . ?
N7 C18 H18B 108.6 . . ?
C17 C18 H18B 108.6 . . ?
H18A C18 H18B 107.6 . . ?
N7 C19 N6 126.2(2) . . ?
N7 C19 N5 118.6(2) . . ?
N6 C19 N5 115.2(2) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5 N1 C1 C2 0.8(3) . . . . ?
C5 N1 C1 N2 -176.76(19) . . . . ?
C12 N2 C1 N1 -176.4(2) . . . . ?
C6 N2 C1 N1 4.2(3) . . . . ?
C12 N2 C1 C2 6.1(4) . . . . ?
C6 N2 C1 C2 -173.3(2) . . . . ?
N1 C1 C2 C3 -0.1(3) . . . . ?
N2 C1 C2 C3 177.2(2) . . . . ?
C1 C2 C3 C4 -0.5(4) . . . . ?
C2 C3 C4 C5 0.4(4) . . . . ?
C1 N1 C5 C4 -0.9(3) . . . . ?
C1 N1 C5 N5 174.56(19) . . . . ?
C3 C4 C5 N1 0.3(3) . . . . ?
C3 C4 C5 N5 -174.8(2) . . . . ?
C19 N5 C5 N1 138.3(2) . . . . ?
C13 N5 C5 N1 -20.4(3) . . . . ?
C19 N5 C5 C4 -46.2(3) . . . . ?
C13 N5 C5 C4 155.1(2) . . . . ?
C1 N2 C6 C7 121.1(2) . . . . ?
C12 N2 C6 C7 -58.3(3) . . . . ?
N2 C6 C7 C8 58.6(3) . . . . ?
C12 N3 C8 C7 22.9(4) . . . . ?
C9 N3 C8 C7 175.7(2) . . . . ?
C6 C7 C8 N3 -41.9(3) . . . . ?
C12 N3 C9 C10 -38.5(3) . . . . ?
C8 N3 C9 C10 166.7(2) . . . . ?
N3 C9 C10 C11 55.7(3) . . . . ?
C12 N4 C11 C10 20.2(4) . . . . ?
C9 C10 C11 N4 -47.7(3) . . . . ?
C11 N4 C12 N3 0.2(4) . . . . ?
C11 N4 C12 N2 -179.0(2) . . . . ?
C9 N3 C12 N4 9.9(4) . . . . ?
C8 N3 C12 N4 161.8(2) . . . . ?
C9 N3 C12 N2 -170.8(2) . . . . ?
C8 N3 C12 N2 -18.9(3) . . . . ?
C1 N2 C12 N4 36.1(3) . . . . ?
C6 N2 C12 N4 -144.4(2) . . . . ?
C1 N2 C12 N3 -143.1(2) . . . . ?
C6 N2 C12 N3 36.3(3) . . . . ?
C19 N5 C13 C14 47.6(3) . . . . ?
C5 N5 C13 C14 -153.2(2) . . . . ?
N5 C13 C14 C15 -58.2(3) . . . . ?
C19 N6 C15 C14 -36.5(3) . . . . ?
C16 N6 C15 C14 173.7(2) . . . . ?
C13 C14 C15 N6 52.2(3) . . . . ?
C19 N6 C16 C17 37.4(3) . . . . ?
C15 N6 C16 C17 -170.7(2) . . . . ?
N6 C16 C17 C18 -54.0(4) . . . . ?
C19 N7 C18 C17 -20.6(5) . . . . ?
C16 C17 C18 N7 46.9(4) . . . . ?
C18 N7 C19 N6 1.6(4) . . . . ?
C18 N7 C19 N5 179.2(3) . . . . ?
C16 N6 C19 N7 -10.4(4) . . . . ?
C15 N6 C19 N7 -159.0(3) . . . . ?
C16 N6 C19 N5 171.9(2) . . . . ?
C15 N6 C19 N5 23.3(3) . . . . ?
C5 N5 C19 N7 -4.8(3) . . . . ?
C13 N5 C19 N7 153.3(2) . . . . ?
C5 N5 C19 N6 173.0(2) . . . . ?
C13 N5 C19 N6 -28.9(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.978
_diffrn_reflns_theta_full        72.44
_diffrn_measured_fraction_theta_full 0.978
_refine_diff_density_max         1.304
_refine_diff_density_min         -0.392
_refine_diff_density_rms         0.077
_database_code_depnum_ccdc_archive 'CCDC 988217'
#######################################################################
#
#                 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_Amln79

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C40 H42 F12 N10 P2 Ru, 6(C3 H6 O)'
_chemical_formula_sum            'C58 H78 F12 N10 O6 P2 Ru'
_chemical_formula_weight         1402.31

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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, 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                   40.9186(5)
_cell_length_b                   12.9990(2)
_cell_length_c                   19.2466(2)
_cell_angle_alpha                90
_cell_angle_beta                 116.1840(10)
_cell_angle_gamma                90
_cell_volume                     9186.7(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9516
_cell_measurement_theta_min      2.41
_cell_measurement_theta_max      70.71

_exptl_crystal_description       block
_exptl_crystal_colour            purple
_exptl_crystal_density_meas      2.028
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    2.028
_exptl_crystal_F_000             5808
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    4.533
_shelx_estimated_absorpt_T_min   0.449
_shelx_estimated_absorpt_T_max   0.550
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4427
_exptl_absorpt_correction_T_max  0.5430
_exptl_absorpt_process_details   'SHELXL-97 (Sheldrick, 2008)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            177747
_diffrn_reflns_av_unetI/netI     0.0089
_diffrn_reflns_av_R_equivalents  0.0265
_diffrn_reflns_limit_h_min       -50
_diffrn_reflns_limit_h_max       50
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.406
_diffrn_reflns_theta_max         71.231
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             8880
_reflns_number_gt                8737
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.250 0.052 0.250 250 48 ' '
2 0.250 -0.065 0.750 250 48 ' '
3 0.750 0.052 0.250 250 48 ' '
4 0.750 -0.065 0.750 250 48 ' '
5 0.387 0.198 0.163 31 1 ' '
6 0.613 0.198 0.337 31 1 ' '
7 0.113 0.302 0.837 31 1 ' '
8 0.887 0.302 0.663 31 1 ' '
9 0.113 0.698 0.337 31 1 ' '
10 0.887 0.698 0.163 31 1 ' '
11 0.387 0.802 0.663 31 1 ' '
12 0.613 0.802 0.837 31 1 ' '
_platon_squeeze_details          
;
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0770P)²+35.8710P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8880
_refine_ls_number_parameters     606
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0472
_refine_ls_R_factor_gt           0.0468
_refine_ls_wR_factor_ref         0.1299
_refine_ls_wR_factor_gt          0.1295
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_restrained_S_all      1.038
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.11626(2) 0.15344(2) 0.44138(2) 0.02499(9) Uani 1 1 d . . . . .
P1 P 0.20747(3) 0.62910(10) 0.31377(6) 0.0538(3) Uani 1 1 d . . . . .
P2 P 0.0000 1.0000 0.0000 0.0304(2) Uani 1 2 d S . P . .
P3 P 0.0000 0.57260(10) 0.2500 0.0616(5) Uani 1 2 d S T P . .
F1A F 0.18784(11) 0.5275(4) 0.2816(2) 0.0822(9) Uani 0.8015 1 d . . P . .
F1B F 0.2056(4) 0.4855(15) 0.3247(9) 0.0822(9) Uani 0.1985 1 d . . P . .
F2A F 0.19504(12) 0.6825(4) 0.2308(3) 0.0822(9) Uani 0.6877 1 d . . P . .
F2B F 0.1913(3) 0.6003(10) 0.2258(6) 0.0822(9) Uani 0.3123 1 d . . P . .
F3 F 0.24468(8) 0.5944(3) 0.3172(2) 0.0968(12) Uani 1 1 d . . . . .
F4 F 0.22769(11) 0.7354(2) 0.35102(19) 0.0890(10) Uani 1 1 d . . . . .
F5 F 0.21973(8) 0.5939(3) 0.40231(18) 0.0856(10) Uani 1 1 d . . . . .
F6A F 0.17228(12) 0.6753(5) 0.3167(2) 0.0795(14) Uani 0.7748 1 d . . P . .
F6B F 0.1634(3) 0.6053(13) 0.3002(7) 0.064(4) Uani 0.2252 1 d . . P . .
F7 F 0.00821(7) 0.89425(16) 0.04665(13) 0.0572(6) Uani 1 1 d . . . . .
F8 F 0.04248(6) 1.0278(2) 0.04294(12) 0.0543(6) Uani 1 1 d . . . . .
F9 F -0.00571(7) 1.05388(19) 0.06813(12) 0.0538(6) Uani 1 1 d . . . . .
F10A F 0.0354(2) 0.6511(4) 0.2898(3) 0.122(3) Uani 0.7648 1 d . . P . .
F10B F 0.0094(7) 0.6750(13) 0.2844(16) 0.193(18) Uani 0.2352 1 d . . P . .
F11 F 0.00612(10) 0.5720(2) 0.17384(14) 0.0865(11) Uani 1 1 d . . . . .
F12 F 0.02987(8) 0.4870(2) 0.28682(16) 0.0716(7) Uani 1 1 d . . . . .
N1 N 0.08332(7) 0.04046(19) 0.36882(14) 0.0265(5) Uani 1 1 d . . . . .
N2 N 0.10893(6) 0.20894(19) 0.34163(14) 0.0262(5) Uani 1 1 d . . . . .
N3 N 0.14667(7) 0.28779(19) 0.47598(14) 0.0284(5) Uani 1 1 d . . . . .
N4 N 0.07137(7) 0.22770(19) 0.44083(14) 0.0271(5) Uani 1 1 d . . . . .
N5 N 0.04754(8) 0.3344(2) 0.50569(16) 0.0337(6) Uani 1 1 d . . . . .
N6 N 0.10137(7) 0.2425(2) 0.57591(14) 0.0321(6) Uani 1 1 d . . . . .
N7 N 0.12450(7) 0.0903(2) 0.54670(14) 0.0294(5) Uani 1 1 d . . . . .
N8 N 0.14585(8) -0.0625(2) 0.51222(16) 0.0343(6) Uani 1 1 d . . . . .
N9 N 0.18790(8) -0.0930(2) 0.46274(18) 0.0407(6) Uani 1 1 d . . . . .
N10 N 0.16230(7) 0.0709(2) 0.45305(16) 0.0325(6) Uani 1 1 d . . . . .
C1 C 0.07696(8) 0.0540(2) 0.29301(17) 0.0274(6) Uani 1 1 d . . . . .
C2 C 0.05768(9) -0.0183(3) 0.23643(18) 0.0326(6) Uani 1 1 d . . . . .
H2 H 0.0536 -0.0078 0.1844 0.039 Uiso 1 1 calc R U . . .
C3 C 0.04442(9) -0.1057(3) 0.25634(19) 0.0359(7) Uani 1 1 d . . . . .
H3 H 0.0322 -0.1574 0.2189 0.043 Uiso 1 1 calc R U . . .
C4 C 0.04931(9) -0.1164(3) 0.33185(19) 0.0358(7) Uani 1 1 d . . . . .
H4 H 0.0397 -0.1745 0.3464 0.043 Uiso 1 1 calc R U . . .
C5 C 0.06835(8) -0.0419(2) 0.38609(18) 0.0299(6) Uani 1 1 d . . . . .
H5 H 0.0710 -0.0493 0.4374 0.036 Uiso 1 1 calc R U . . .
C6 C 0.09069(8) 0.1516(2) 0.27715(18) 0.0271(6) Uani 1 1 d . . . . .
C7 C 0.08600(8) 0.1871(2) 0.20558(17) 0.0291(6) Uani 1 1 d . . . . .
H7 H 0.0736 0.1459 0.1607 0.035 Uiso 1 1 calc R U . . .
C8 C 0.09955(8) 0.2837(2) 0.19921(18) 0.0300(6) Uani 1 1 d . . . . .
C9 C 0.11821(9) 0.3410(2) 0.2669(2) 0.0314(7) Uani 1 1 d . . . . .
H9 H 0.1276 0.4070 0.2643 0.038 Uiso 1 1 calc R U . . .
C10 C 0.12305(8) 0.3017(2) 0.33786(18) 0.0292(6) Uani 1 1 d . . . . .
C11 C 0.14475(9) 0.3465(2) 0.41495(19) 0.0301(6) Uani 1 1 d . . . . .
C12 C 0.16425(9) 0.4381(2) 0.4269(2) 0.0347(7) Uani 1 1 d . . . . .
H12 H 0.1620 0.4789 0.3841 0.042 Uiso 1 1 calc R U . . .
C13 C 0.18682(9) 0.4688(3) 0.5014(2) 0.0392(7) Uani 1 1 d . . . . .
H13 H 0.2005 0.5305 0.5103 0.047 Uiso 1 1 calc R U . . .
C14 C 0.18935(9) 0.4091(3) 0.5631(2) 0.0385(7) Uani 1 1 d . . . . .
H14 H 0.2049 0.4290 0.6148 0.046 Uiso 1 1 calc R U . . .
C15 C 0.16884(9) 0.3198(3) 0.54816(19) 0.0345(7) Uani 1 1 d . . . . .
H15 H 0.1705 0.2794 0.5907 0.041 Uiso 1 1 calc R U . . .
C16 C 0.09416(9) 0.3230(2) 0.12254(19) 0.0327(7) Uani 1 1 d . . . . .
C17 C 0.06453(9) 0.2898(3) 0.05478(19) 0.0354(7) Uani 1 1 d . . . . .
H17 H 0.0479 0.2412 0.0581 0.042 Uiso 1 1 calc R U . . .
C18 C 0.05904(11) 0.3269(3) -0.0173(2) 0.0414(8) Uani 1 1 d . . . . .
H18 H 0.0387 0.3039 -0.0626 0.050 Uiso 1 1 calc R U . . .
C19 C 0.08297(12) 0.3971(3) -0.0235(2) 0.0454(9) Uani 1 1 d . . . . .
H19 H 0.0793 0.4224 -0.0727 0.054 Uiso 1 1 calc R U . . .
C20 C 0.11260(12) 0.4301(3) 0.0434(3) 0.0480(9) Uani 1 1 d . . . . .
H20 H 0.1291 0.4785 0.0397 0.058 Uiso 1 1 calc R U . . .
C21 C 0.11831(10) 0.3931(3) 0.1153(2) 0.0404(8) Uani 1 1 d . . . . .
H21 H 0.1389 0.4158 0.1603 0.048 Uiso 1 1 calc R U . . .
C22 C 0.11572(9) 0.1433(2) 0.59651(18) 0.0317(7) Uani 1 1 d . . . . .
C23 C 0.12217(10) 0.1026(3) 0.66857(19) 0.0402(8) Uani 1 1 d . . . . .
H23 H 0.1154 0.1397 0.7027 0.048 Uiso 1 1 calc R U . . .
C24 C 0.13848(11) 0.0078(3) 0.68931(19) 0.0448(9) Uani 1 1 d . . . . .
H24 H 0.1435 -0.0202 0.7386 0.054 Uiso 1 1 calc R U . . .
C25 C 0.14753(10) -0.0467(3) 0.6391(2) 0.0416(8) Uani 1 1 d . . . . .
H25 H 0.1590 -0.1120 0.6534 0.050 Uiso 1 1 calc R U . . .
C26 C 0.13960(9) -0.0048(3) 0.56715(18) 0.0336(7) Uani 1 1 d . . . . .
C27 C 0.14142(11) -0.1752(3) 0.5120(2) 0.0436(8) Uani 1 1 d . . . . .
H27A H 0.1263 -0.1995 0.4585 0.052 Uiso 1 1 calc R U . . .
H27B H 0.1289 -0.1940 0.5440 0.052 Uiso 1 1 calc R U . . .
C28 C 0.17810(12) -0.2253(3) 0.5437(3) 0.0532(10) Uani 1 1 d . . . . .
H28A H 0.1757 -0.3008 0.5468 0.064 Uiso 1 1 calc R U . . .
H28B H 0.1937 -0.1990 0.5963 0.064 Uiso 1 1 calc R U . . .
C29 C 0.19469(11) -0.2001(3) 0.4899(2) 0.0454(8) Uani 1 1 d . . . . .
H29A H 0.2213 -0.2122 0.5169 0.054 Uiso 1 1 calc R U . . .
H29B H 0.1844 -0.2468 0.4446 0.054 Uiso 1 1 calc R U . . .
C30 C 0.20611(12) -0.0609(3) 0.4155(3) 0.0510(9) Uani 1 1 d . . . . .
H30A H 0.1889 -0.0651 0.3598 0.061 Uiso 1 1 calc R U . . .
H30B H 0.2270 -0.1068 0.4254 0.061 Uiso 1 1 calc R U . . .
C31 C 0.21913(10) 0.0484(3) 0.4368(3) 0.0474(9) Uani 1 1 d . . . . .
H31A H 0.2307 0.0729 0.4042 0.057 Uiso 1 1 calc R U . . .
H31B H 0.2374 0.0517 0.4917 0.057 Uiso 1 1 calc R U . . .
C32 C 0.18690(9) 0.1157(3) 0.4244(2) 0.0379(7) Uani 1 1 d . . . . .
H32A H 0.1960 0.1824 0.4507 0.046 Uiso 1 1 calc R U . . .
H32B H 0.1729 0.1296 0.3683 0.046 Uiso 1 1 calc R U . . .
C33 C 0.16625(9) -0.0254(3) 0.47528(18) 0.0333(7) Uani 1 1 d . . . . .
C34 C 0.10743(11) 0.3162(3) 0.6386(2) 0.0406(8) Uani 1 1 d . . . . .
H34A H 0.1145 0.3839 0.6259 0.049 Uiso 1 1 calc R U . . .
H34B H 0.1275 0.2916 0.6875 0.049 Uiso 1 1 calc R U . . .
C35 C 0.07314(12) 0.3267(4) 0.6482(2) 0.0511(10) Uani 1 1 d . . . . .
H35A H 0.0774 0.3720 0.6928 0.061 Uiso 1 1 calc R U . . .
H35B H 0.0651 0.2586 0.6577 0.061 Uiso 1 1 calc R U . . .
C36 C 0.04469(12) 0.3728(4) 0.5745(2) 0.0506(9) Uani 1 1 d . . . . .
H36A H 0.0202 0.3563 0.5700 0.061 Uiso 1 1 calc R U . . .
H36B H 0.0474 0.4486 0.5768 0.061 Uiso 1 1 calc R U . . .
C37 C 0.02058(10) 0.3763(3) 0.43227(19) 0.0365(7) Uani 1 1 d . . . . .
H37A H 0.0317 0.4315 0.4144 0.044 Uiso 1 1 calc R U . . .
H37B H 0.0000 0.4063 0.4393 0.044 Uiso 1 1 calc R U . . .
C38 C 0.00698(9) 0.2910(3) 0.37281(19) 0.0336(7) Uani 1 1 d . . . . .
H38A H -0.0106 0.3188 0.3221 0.040 Uiso 1 1 calc R U . . .
H38B H -0.0055 0.2377 0.3891 0.040 Uiso 1 1 calc R U . . .
C39 C 0.03934(8) 0.2446(3) 0.36589(17) 0.0325(6) Uani 1 1 d . . . . .
H39A H 0.0319 0.1780 0.3385 0.039 Uiso 1 1 calc R U . . .
H39B H 0.0464 0.2907 0.3339 0.039 Uiso 1 1 calc R U . . .
C40 C 0.07219(9) 0.2667(2) 0.50405(17) 0.0299(6) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 N2 1.946(2) . ?
Ru1 N1 2.065(2) . ?
Ru1 N4 2.071(2) . ?
Ru1 N7 2.072(2) . ?
Ru1 N3 2.076(2) . ?
Ru1 N10 2.092(3) . ?
P1 F1A 1.527(4) . ?
P1 F3 1.562(3) . ?
P1 F2B 1.566(10) . ?
P1 F6A 1.584(4) . ?
P1 F2A 1.605(5) . ?
P1 F4 1.607(4) . ?
P1 F5 1.616(3) . ?
P1 F6B 1.732(13) . ?
P1 F1B 1.88(2) . ?
P2 F9 1.592(2) . ?
P2 F9 1.592(2) 5_575 ?
P2 F7 1.595(2) 5_575 ?
P2 F7 1.595(2) . ?
P2 F8 1.602(2) 5_575 ?
P2 F8 1.602(2) . ?
P3 F10B 1.460(17) 2 ?
P3 F10B 1.460(17) . ?
P3 F12 1.572(3) 2 ?
P3 F12 1.572(3) . ?
P3 F11 1.592(3) 2 ?
P3 F11 1.592(3) . ?
P3 F10A 1.659(6) 2 ?
P3 F10A 1.659(6) . ?
F1A F1B 0.990(18) . ?
F1A F2B 1.484(11) . ?
F1A F6B 1.570(14) . ?
F2A F2B 1.077(12) . ?
F6A F6B 0.979(17) . ?
F10A F10B 1.07(3) . ?
F10B F10B 1.20(5) 2 ?
N1 C5 1.346(4) . ?
N1 C1 1.376(4) . ?
N2 C10 1.353(4) . ?
N2 C6 1.355(4) . ?
N3 C15 1.347(4) . ?
N3 C11 1.374(4) . ?
N4 C40 1.305(4) . ?
N4 C39 1.476(4) . ?
N5 C40 1.350(4) . ?
N5 C37 1.461(4) . ?
N5 C36 1.466(4) . ?
N6 C22 1.399(4) . ?
N6 C40 1.407(4) . ?
N6 C34 1.473(4) . ?
N7 C22 1.352(4) . ?
N7 C26 1.360(4) . ?
N8 C33 1.400(4) . ?
N8 C26 1.409(4) . ?
N8 C27 1.476(4) . ?
N9 C33 1.343(4) . ?
N9 C30 1.467(5) . ?
N9 C29 1.470(5) . ?
N10 C33 1.310(4) . ?
N10 C32 1.465(4) . ?
C1 C2 1.391(4) . ?
C1 C6 1.472(4) . ?
C2 C3 1.384(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.384(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.384(5) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C7 1.384(4) . ?
C7 C8 1.400(4) . ?
C7 H7 0.9500 . ?
C8 C9 1.399(5) . ?
C8 C16 1.483(4) . ?
C9 C10 1.387(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.472(4) . ?
C11 C12 1.394(4) . ?
C12 C13 1.379(5) . ?
C12 H12 0.9500 . ?
C13 C14 1.383(5) . ?
C13 H13 0.9500 . ?
C14 C15 1.387(5) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 C21 1.396(5) . ?
C16 C17 1.401(5) . ?
C17 C18 1.390(5) . ?
C17 H17 0.9500 . ?
C18 C19 1.381(6) . ?
C18 H18 0.9500 . ?
C19 C20 1.391(6) . ?
C19 H19 0.9500 . ?
C20 C21 1.384(5) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C22 C23 1.397(4) . ?
C23 C24 1.374(6) . ?
C23 H23 0.9500 . ?
C24 C25 1.375(6) . ?
C24 H24 0.9500 . ?
C25 C26 1.387(5) . ?
C25 H25 0.9500 . ?
C27 C28 1.497(6) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.505(6) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C31 1.510(6) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.511(5) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C34 C35 1.501(6) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.507(6) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 C38 1.512(5) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C39 1.513(4) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?

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
N2 Ru1 N1 79.98(10) . . ?
N2 Ru1 N4 94.11(10) . . ?
N1 Ru1 N4 90.87(10) . . ?
N2 Ru1 N7 178.33(10) . . ?
N1 Ru1 N7 98.96(10) . . ?
N4 Ru1 N7 87.18(10) . . ?
N2 Ru1 N3 79.30(10) . . ?
N1 Ru1 N3 159.28(10) . . ?
N4 Ru1 N3 90.81(10) . . ?
N7 Ru1 N3 101.75(10) . . ?
N2 Ru1 N10 92.04(10) . . ?
N1 Ru1 N10 89.78(10) . . ?
N4 Ru1 N10 173.83(10) . . ?
N7 Ru1 N10 86.66(11) . . ?
N3 Ru1 N10 90.74(10) . . ?
F1A P1 F3 95.5(2) . . ?
F1A P1 F2B 57.3(4) . . ?
F3 P1 F2B 85.1(4) . . ?
F1A P1 F6A 91.1(3) . . ?
F3 P1 F6A 173.2(2) . . ?
F2B P1 F6A 99.9(4) . . ?
F1A P1 F2A 95.2(2) . . ?
F3 P1 F2A 92.4(3) . . ?
F2B P1 F2A 39.7(4) . . ?
F6A P1 F2A 88.7(3) . . ?
F1A P1 F4 177.3(2) . . ?
F3 P1 F4 85.95(19) . . ?
F2B P1 F4 125.2(4) . . ?
F6A P1 F4 87.4(3) . . ?
F2A P1 F4 87.0(2) . . ?
F1A P1 F5 92.6(2) . . ?
F3 P1 F5 91.8(2) . . ?
F2B P1 F5 149.1(5) . . ?
F6A P1 F5 86.2(2) . . ?
F2A P1 F5 170.7(3) . . ?
F4 P1 F5 85.05(17) . . ?
F1A P1 F6B 57.2(6) . . ?
F3 P1 F6B 152.3(6) . . ?
F2B P1 F6B 83.1(6) . . ?
F6A P1 F6B 34.0(5) . . ?
F2A P1 F6B 94.3(4) . . ?
F4 P1 F6B 121.2(6) . . ?
F5 P1 F6B 85.8(4) . . ?
F1A P1 F1B 31.6(5) . . ?
F3 P1 F1B 78.2(5) . . ?
F2B P1 F1B 82.2(7) . . ?
F6A P1 F1B 106.8(6) . . ?
F2A P1 F1B 121.9(5) . . ?
F4 P1 F1B 147.2(5) . . ?
F5 P1 F1B 67.1(5) . . ?
F6B P1 F1B 75.4(7) . . ?
F9 P2 F9 180.0 . 5_575 ?
F9 P2 F7 90.78(13) . 5_575 ?
F9 P2 F7 89.22(13) 5_575 5_575 ?
F9 P2 F7 89.22(13) . . ?
F9 P2 F7 90.78(13) 5_575 . ?
F7 P2 F7 180.00(16) 5_575 . ?
F9 P2 F8 90.23(12) . 5_575 ?
F9 P2 F8 89.78(12) 5_575 5_575 ?
F7 P2 F8 89.60(13) 5_575 5_575 ?
F7 P2 F8 90.40(13) . 5_575 ?
F9 P2 F8 89.77(12) . . ?
F9 P2 F8 90.22(12) 5_575 . ?
F7 P2 F8 90.40(13) 5_575 . ?
F7 P2 F8 89.60(13) . . ?
F8 P2 F8 180.00(9) 5_575 . ?
F10B P3 F10B 48.6(18) 2 . ?
F10B P3 F12 116.4(7) 2 2 ?
F10B P3 F12 147.8(14) . 2 ?
F10B P3 F12 147.8(14) 2 . ?
F10B P3 F12 116.4(7) . . ?
F12 P3 F12 89.8(2) 2 . ?
F10B P3 F11 107.8(16) 2 2 ?
F10B P3 F11 72.8(16) . 2 ?
F12 P3 F11 90.26(18) 2 2 ?
F12 P3 F11 89.32(14) . 2 ?
F10B P3 F11 72.8(16) 2 . ?
F10B P3 F11 107.8(16) . . ?
F12 P3 F11 89.32(14) 2 . ?
F12 P3 F11 90.26(18) . . ?
F11 P3 F11 179.4(2) 2 . ?
F10B P3 F10A 39.5(12) 2 2 ?
F10B P3 F10A 69.5(9) . 2 ?
F12 P3 F10A 83.1(3) 2 2 ?
F12 P3 F10A 172.5(3) . 2 ?
F11 P3 F10A 88.2(2) 2 2 ?
F11 P3 F10A 92.2(2) . 2 ?
F10B P3 F10A 69.5(9) 2 . ?
F10B P3 F10A 39.5(12) . . ?
F12 P3 F10A 172.5(3) 2 . ?
F12 P3 F10A 83.1(3) . . ?
F11 P3 F10A 92.2(2) 2 . ?
F11 P3 F10A 88.2(2) . . ?
F10A P3 F10A 104.0(6) 2 . ?
F1B F1A F2B 133.5(11) . . ?
F1B F1A P1 94.4(10) . . ?
F2B F1A P1 62.7(4) . . ?
F1B F1A F6B 118.0(12) . . ?
F2B F1A F6B 91.6(7) . . ?
P1 F1A F6B 68.0(7) . . ?
F1A F1B P1 54.0(10) . . ?
F2B F2A P1 68.2(6) . . ?
F2A F2B F1A 128.6(9) . . ?
F2A F2B P1 72.1(6) . . ?
F1A F2B P1 60.0(4) . . ?
F6B F6A P1 81.3(8) . . ?
F6A F6B F1A 119.3(12) . . ?
F6A F6B P1 64.7(9) . . ?
F1A F6B P1 54.8(4) . . ?
F10B F10A P3 60.2(10) . . ?
F10A F10B F10B 103(5) . 2 ?
F10A F10B P3 80.3(15) . . ?
F10B F10B P3 65.7(9) 2 . ?
C5 N1 C1 118.0(3) . . ?
C5 N1 Ru1 129.1(2) . . ?
C1 N1 Ru1 112.81(19) . . ?
C10 N2 C6 121.1(3) . . ?
C10 N2 Ru1 120.0(2) . . ?
C6 N2 Ru1 118.8(2) . . ?
C15 N3 C11 117.9(3) . . ?
C15 N3 Ru1 128.8(2) . . ?
C11 N3 Ru1 113.1(2) . . ?
C40 N4 C39 120.0(3) . . ?
C40 N4 Ru1 121.2(2) . . ?
C39 N4 Ru1 118.54(18) . . ?
C40 N5 C37 118.3(3) . . ?
C40 N5 C36 126.9(3) . . ?
C37 N5 C36 114.8(3) . . ?
C22 N6 C40 123.5(3) . . ?
C22 N6 C34 118.0(3) . . ?
C40 N6 C34 115.0(3) . . ?
C22 N7 C26 119.2(3) . . ?
C22 N7 Ru1 120.8(2) . . ?
C26 N7 Ru1 120.0(2) . . ?
C33 N8 C26 122.9(3) . . ?
C33 N8 C27 116.1(3) . . ?
C26 N8 C27 118.0(3) . . ?
C33 N9 C30 118.8(3) . . ?
C33 N9 C29 126.3(3) . . ?
C30 N9 C29 114.9(3) . . ?
C33 N10 C32 119.8(3) . . ?
C33 N10 Ru1 120.0(2) . . ?
C32 N10 Ru1 119.4(2) . . ?
N1 C1 C2 121.3(3) . . ?
N1 C1 C6 114.8(3) . . ?
C2 C1 C6 123.8(3) . . ?
C3 C2 C1 119.6(3) . . ?
C3 C2 H2 120.2 . . ?
C1 C2 H2 120.2 . . ?
C4 C3 C2 118.7(3) . . ?
C4 C3 H3 120.6 . . ?
C2 C3 H3 120.6 . . ?
C3 C4 C5 119.6(3) . . ?
C3 C4 H4 120.2 . . ?
C5 C4 H4 120.2 . . ?
N1 C5 C4 122.4(3) . . ?
N1 C5 H5 118.8 . . ?
C4 C5 H5 118.8 . . ?
N2 C6 C7 120.4(3) . . ?
N2 C6 C1 113.0(3) . . ?
C7 C6 C1 126.6(3) . . ?
C6 C7 C8 120.0(3) . . ?
C6 C7 H7 120.0 . . ?
C8 C7 H7 120.0 . . ?
C9 C8 C7 118.0(3) . . ?
C9 C8 C16 121.6(3) . . ?
C7 C8 C16 120.3(3) . . ?
C10 C9 C8 120.2(3) . . ?
C10 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
N2 C10 C9 120.1(3) . . ?
N2 C10 C11 112.4(3) . . ?
C9 C10 C11 127.4(3) . . ?
N3 C11 C12 121.4(3) . . ?
N3 C11 C10 115.0(3) . . ?
C12 C11 C10 123.4(3) . . ?
C13 C12 C11 119.4(3) . . ?
C13 C12 H12 120.3 . . ?
C11 C12 H12 120.3 . . ?
C12 C13 C14 119.5(3) . . ?
C12 C13 H13 120.3 . . ?
C14 C13 H13 120.3 . . ?
C13 C14 C15 118.9(3) . . ?
C13 C14 H14 120.6 . . ?
C15 C14 H14 120.6 . . ?
N3 C15 C14 122.9(3) . . ?
N3 C15 H15 118.6 . . ?
C14 C15 H15 118.6 . . ?
C21 C16 C17 118.0(3) . . ?
C21 C16 C8 121.5(3) . . ?
C17 C16 C8 120.5(3) . . ?
C18 C17 C16 120.9(3) . . ?
C18 C17 H17 119.5 . . ?
C16 C17 H17 119.5 . . ?
C19 C18 C17 120.5(4) . . ?
C19 C18 H18 119.8 . . ?
C17 C18 H18 119.8 . . ?
C18 C19 C20 119.0(3) . . ?
C18 C19 H19 120.5 . . ?
C20 C19 H19 120.5 . . ?
C21 C20 C19 120.8(4) . . ?
C21 C20 H20 119.6 . . ?
C19 C20 H20 119.6 . . ?
C20 C21 C16 120.8(4) . . ?
C20 C21 H21 119.6 . . ?
C16 C21 H21 119.6 . . ?
N7 C22 C23 121.2(3) . . ?
N7 C22 N6 118.6(3) . . ?
C23 C22 N6 120.2(3) . . ?
C24 C23 C22 118.9(3) . . ?
C24 C23 H23 120.5 . . ?
C22 C23 H23 120.5 . . ?
C23 C24 C25 120.3(3) . . ?
C23 C24 H24 119.8 . . ?
C25 C24 H24 119.8 . . ?
C24 C25 C26 118.8(3) . . ?
C24 C25 H25 120.6 . . ?
C26 C25 H25 120.6 . . ?
N7 C26 C25 121.5(3) . . ?
N7 C26 N8 118.5(3) . . ?
C25 C26 N8 120.0(3) . . ?
N8 C27 C28 109.3(3) . . ?
N8 C27 H27A 109.8 . . ?
C28 C27 H27A 109.8 . . ?
N8 C27 H27B 109.8 . . ?
C28 C27 H27B 109.8 . . ?
H27A C27 H27B 108.3 . . ?
C27 C28 C29 107.4(3) . . ?
C27 C28 H28A 110.2 . . ?
C29 C28 H28A 110.2 . . ?
C27 C28 H28B 110.2 . . ?
C29 C28 H28B 110.2 . . ?
H28A C28 H28B 108.5 . . ?
N9 C29 C28 112.3(3) . . ?
N9 C29 H29A 109.2 . . ?
C28 C29 H29A 109.2 . . ?
N9 C29 H29B 109.2 . . ?
C28 C29 H29B 109.2 . . ?
H29A C29 H29B 107.9 . . ?
N9 C30 C31 108.3(3) . . ?
N9 C30 H30A 110.0 . . ?
C31 C30 H30A 110.0 . . ?
N9 C30 H30B 110.0 . . ?
C31 C30 H30B 110.0 . . ?
H30A C30 H30B 108.4 . . ?
C30 C31 C32 108.9(3) . . ?
C30 C31 H31A 109.9 . . ?
C32 C31 H31A 109.9 . . ?
C30 C31 H31B 109.9 . . ?
C32 C31 H31B 109.9 . . ?
H31A C31 H31B 108.3 . . ?
N10 C32 C31 114.0(3) . . ?
N10 C32 H32A 108.8 . . ?
C31 C32 H32A 108.8 . . ?
N10 C32 H32B 108.8 . . ?
C31 C32 H32B 108.8 . . ?
H32A C32 H32B 107.6 . . ?
N10 C33 N9 124.2(3) . . ?
N10 C33 N8 118.7(3) . . ?
N9 C33 N8 117.0(3) . . ?
N6 C34 C35 109.4(3) . . ?
N6 C34 H34A 109.8 . . ?
C35 C34 H34A 109.8 . . ?
N6 C34 H34B 109.8 . . ?
C35 C34 H34B 109.8 . . ?
H34A C34 H34B 108.2 . . ?
C34 C35 C36 107.2(3) . . ?
C34 C35 H35A 110.3 . . ?
C36 C35 H35A 110.3 . . ?
C34 C35 H35B 110.3 . . ?
C36 C35 H35B 110.3 . . ?
H35A C35 H35B 108.5 . . ?
N5 C36 C35 112.3(3) . . ?
N5 C36 H36A 109.1 . . ?
C35 C36 H36A 109.1 . . ?
N5 C36 H36B 109.1 . . ?
C35 C36 H36B 109.1 . . ?
H36A C36 H36B 107.9 . . ?
N5 C37 C38 109.1(3) . . ?
N5 C37 H37A 109.9 . . ?
C38 C37 H37A 109.9 . . ?
N5 C37 H37B 109.9 . . ?
C38 C37 H37B 109.9 . . ?
H37A C37 H37B 108.3 . . ?
C37 C38 C39 108.3(3) . . ?
C37 C38 H38A 110.0 . . ?
C39 C38 H38A 110.0 . . ?
C37 C38 H38B 110.0 . . ?
C39 C38 H38B 110.0 . . ?
H38A C38 H38B 108.4 . . ?
N4 C39 C38 114.1(3) . . ?
N4 C39 H39A 108.7 . . ?
C38 C39 H39A 108.7 . . ?
N4 C39 H39B 108.7 . . ?
C38 C39 H39B 108.7 . . ?
H39A C39 H39B 107.6 . . ?
N4 C40 N5 124.3(3) . . ?
N4 C40 N6 119.4(3) . . ?
N5 C40 N6 116.2(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
F3 P1 F1A F1B 56.8(11) . . . . ?
F2B P1 F1A F1B 137.4(12) . . . . ?
F6A P1 F1A F1B -121.4(11) . . . . ?
F2A P1 F1A F1B 149.7(10) . . . . ?
F5 P1 F1A F1B -35.2(10) . . . . ?
F6B P1 F1A F1B -118.5(11) . . . . ?
F3 P1 F1A F2B -80.6(5) . . . . ?
F6A P1 F1A F2B 101.1(5) . . . . ?
F2A P1 F1A F2B 12.3(6) . . . . ?
F5 P1 F1A F2B -172.6(5) . . . . ?
F6B P1 F1A F2B 104.1(7) . . . . ?
F1B P1 F1A F2B -137.4(12) . . . . ?
F3 P1 F1A F6B 175.3(4) . . . . ?
F2B P1 F1A F6B -104.1(7) . . . . ?
F6A P1 F1A F6B -3.0(5) . . . . ?
F2A P1 F1A F6B -91.8(4) . . . . ?
F5 P1 F1A F6B 83.3(4) . . . . ?
F1B P1 F1A F6B 118.5(11) . . . . ?
F2B F1A F1B P1 55.9(12) . . . . ?
F6B F1A F1B P1 -67.4(9) . . . . ?
F3 P1 F1B F1A -121.7(10) . . . . ?
F2B P1 F1B F1A -35.1(10) . . . . ?
F6A P1 F1B F1A 63.0(10) . . . . ?
F2A P1 F1B F1A -36.2(12) . . . . ?
F4 P1 F1B F1A 175.5(4) . . . . ?
F5 P1 F1B F1A 141.3(11) . . . . ?
F6B P1 F1B F1A 49.8(9) . . . . ?
F1A P1 F2A F2B -16.3(7) . . . . ?
F3 P1 F2A F2B 79.4(7) . . . . ?
F6A P1 F2A F2B -107.2(7) . . . . ?
F4 P1 F2A F2B 165.3(7) . . . . ?
F6B P1 F2A F2B -73.7(9) . . . . ?
F1B P1 F2A F2B 1.8(9) . . . . ?
P1 F2A F2B F1A 21.6(9) . . . . ?
F1B F1A F2B F2A -92(2) . . . . ?
P1 F1A F2B F2A -23.8(9) . . . . ?
F6B F1A F2B F2A 40.2(13) . . . . ?
F1B F1A F2B P1 -68.3(16) . . . . ?
F6B F1A F2B P1 64.1(6) . . . . ?
F1A P1 F2B F2A 160.6(8) . . . . ?
F3 P1 F2B F2A -99.7(6) . . . . ?
F6A P1 F2B F2A 75.8(6) . . . . ?
F4 P1 F2B F2A -18.1(8) . . . . ?
F5 P1 F2B F2A 175.0(4) . . . . ?
F6B P1 F2B F2A 105.4(8) . . . . ?
F1B P1 F2B F2A -178.4(8) . . . . ?
F3 P1 F2B F1A 99.7(4) . . . . ?
F6A P1 F2B F1A -84.8(4) . . . . ?
F2A P1 F2B F1A -160.6(8) . . . . ?
F4 P1 F2B F1A -178.7(3) . . . . ?
F5 P1 F2B F1A 14.4(10) . . . . ?
F6B P1 F2B F1A -55.2(6) . . . . ?
F1B P1 F2B F1A 21.0(6) . . . . ?
F1A P1 F6A F6B 4.5(7) . . . . ?
F2B P1 F6A F6B 61.4(9) . . . . ?
F2A P1 F6A F6B 99.7(7) . . . . ?
F4 P1 F6A F6B -173.3(7) . . . . ?
F5 P1 F6A F6B -88.1(7) . . . . ?
F1B P1 F6A F6B -23.4(9) . . . . ?
P1 F6A F6B F1A -5.0(8) . . . . ?
F1B F1A F6B F6A 88.6(15) . . . . ?
F2B F1A F6B F6A -54.0(11) . . . . ?
P1 F1A F6B F6A 5.5(9) . . . . ?
F1B F1A F6B P1 83.1(12) . . . . ?
F2B F1A F6B P1 -59.5(4) . . . . ?
F1A P1 F6B F6A -174.7(9) . . . . ?
F3 P1 F6B F6A 175.2(5) . . . . ?
F2B P1 F6B F6A -119.4(8) . . . . ?
F2A P1 F6B F6A -81.3(7) . . . . ?
F4 P1 F6B F6A 7.8(9) . . . . ?
F5 P1 F6B F6A 89.4(7) . . . . ?
F1B P1 F6B F6A 156.9(9) . . . . ?
F3 P1 F6B F1A -10.1(10) . . . . ?
F2B P1 F6B F1A 55.3(5) . . . . ?
F6A P1 F6B F1A 174.7(9) . . . . ?
F2A P1 F6B F1A 93.4(4) . . . . ?
F4 P1 F6B F1A -177.5(3) . . . . ?
F5 P1 F6B F1A -95.9(3) . . . . ?
F1B P1 F6B F1A -28.4(5) . . . . ?
F10B P3 F10A F10B 49(4) 2 . . . ?
F12 P3 F10A F10B -148(2) . . . . ?
F11 P3 F10A F10B -59(2) 2 . . . ?
F11 P3 F10A F10B 121(2) . . . . ?
F10A P3 F10A F10B 30(2) 2 . . . ?
P3 F10A F10B F10B -61.9(7) . . . 2 ?
F10B P3 F10B F10A -110(5) 2 . . . ?
F12 P3 F10B F10A 177.1(4) 2 . . . ?
F12 P3 F10B F10A 36(2) . . . . ?
F11 P3 F10B F10A 116.0(15) 2 . . . ?
F11 P3 F10B F10A -63.8(15) . . . . ?
F10A P3 F10B F10A -149(2) 2 . . . ?
F12 P3 F10B F10B -73(5) 2 . . 2 ?
F12 P3 F10B F10B 145(3) . . . 2 ?
F11 P3 F10B F10B -134(4) 2 . . 2 ?
F11 P3 F10B F10B 46(4) . . . 2 ?
F10A P3 F10B F10B -40(3) 2 . . 2 ?
F10A P3 F10B F10B 110(5) . . . 2 ?
C5 N1 C1 C2 -4.1(4) . . . . ?
Ru1 N1 C1 C2 175.1(2) . . . . ?
C5 N1 C1 C6 173.4(3) . . . . ?
Ru1 N1 C1 C6 -7.4(3) . . . . ?
N1 C1 C2 C3 0.3(5) . . . . ?
C6 C1 C2 C3 -177.0(3) . . . . ?
C1 C2 C3 C4 3.0(5) . . . . ?
C2 C3 C4 C5 -2.3(5) . . . . ?
C1 N1 C5 C4 4.9(5) . . . . ?
Ru1 N1 C5 C4 -174.2(2) . . . . ?
C3 C4 C5 N1 -1.7(5) . . . . ?
C10 N2 C6 C7 -0.2(4) . . . . ?
Ru1 N2 C6 C7 -177.9(2) . . . . ?
C10 N2 C6 C1 -179.1(3) . . . . ?
Ru1 N2 C6 C1 3.2(3) . . . . ?
N1 C1 C6 N2 3.1(4) . . . . ?
C2 C1 C6 N2 -179.5(3) . . . . ?
N1 C1 C6 C7 -175.8(3) . . . . ?
C2 C1 C6 C7 1.7(5) . . . . ?
N2 C6 C7 C8 -1.2(4) . . . . ?
C1 C6 C7 C8 177.6(3) . . . . ?
C6 C7 C8 C9 1.1(4) . . . . ?
C6 C7 C8 C16 -179.1(3) . . . . ?
C7 C8 C9 C10 0.3(5) . . . . ?
C16 C8 C9 C10 -179.5(3) . . . . ?
C6 N2 C10 C9 1.7(4) . . . . ?
Ru1 N2 C10 C9 179.3(2) . . . . ?
C6 N2 C10 C11 -174.4(3) . . . . ?
Ru1 N2 C10 C11 3.2(3) . . . . ?
C8 C9 C10 N2 -1.7(5) . . . . ?
C8 C9 C10 C11 173.7(3) . . . . ?
C15 N3 C11 C12 -1.9(4) . . . . ?
Ru1 N3 C11 C12 -178.1(2) . . . . ?
C15 N3 C11 C10 173.9(3) . . . . ?
Ru1 N3 C11 C10 -2.3(3) . . . . ?
N2 C10 C11 N3 -0.4(4) . . . . ?
C9 C10 C11 N3 -176.1(3) . . . . ?
N2 C10 C11 C12 175.3(3) . . . . ?
C9 C10 C11 C12 -0.4(5) . . . . ?
N3 C11 C12 C13 2.1(5) . . . . ?
C10 C11 C12 C13 -173.3(3) . . . . ?
C11 C12 C13 C14 -0.9(5) . . . . ?
C12 C13 C14 C15 -0.4(5) . . . . ?
C11 N3 C15 C14 0.5(5) . . . . ?
Ru1 N3 C15 C14 176.1(2) . . . . ?
C13 C14 C15 N3 0.6(5) . . . . ?
C9 C8 C16 C21 26.8(5) . . . . ?
C7 C8 C16 C21 -153.1(3) . . . . ?
C9 C8 C16 C17 -153.7(3) . . . . ?
C7 C8 C16 C17 26.5(4) . . . . ?
C21 C16 C17 C18 -1.1(5) . . . . ?
C8 C16 C17 C18 179.4(3) . . . . ?
C16 C17 C18 C19 0.5(5) . . . . ?
C17 C18 C19 C20 -0.1(5) . . . . ?
C18 C19 C20 C21 0.3(5) . . . . ?
C19 C20 C21 C16 -0.9(5) . . . . ?
C17 C16 C21 C20 1.3(5) . . . . ?
C8 C16 C21 C20 -179.1(3) . . . . ?
C26 N7 C22 C23 0.5(5) . . . . ?
Ru1 N7 C22 C23 -178.1(2) . . . . ?
C26 N7 C22 N6 177.8(3) . . . . ?
Ru1 N7 C22 N6 -0.8(4) . . . . ?
C40 N6 C22 N7 49.9(4) . . . . ?
C34 N6 C22 N7 -152.3(3) . . . . ?
C40 N6 C22 C23 -132.8(3) . . . . ?
C34 N6 C22 C23 25.0(4) . . . . ?
N7 C22 C23 C24 1.5(5) . . . . ?
N6 C22 C23 C24 -175.8(3) . . . . ?
C22 C23 C24 C25 -1.4(5) . . . . ?
C23 C24 C25 C26 -0.5(6) . . . . ?
C22 N7 C26 C25 -2.6(5) . . . . ?
Ru1 N7 C26 C25 176.0(3) . . . . ?
C22 N7 C26 N8 174.9(3) . . . . ?
Ru1 N7 C26 N8 -6.5(4) . . . . ?
C24 C25 C26 N7 2.6(5) . . . . ?
C24 C25 C26 N8 -174.8(3) . . . . ?
C33 N8 C26 N7 55.0(4) . . . . ?
C27 N8 C26 N7 -145.3(3) . . . . ?
C33 N8 C26 C25 -127.4(3) . . . . ?
C27 N8 C26 C25 32.3(5) . . . . ?
C33 N8 C27 C28 53.5(4) . . . . ?
C26 N8 C27 C28 -107.6(4) . . . . ?
N8 C27 C28 C29 -63.3(4) . . . . ?
C33 N9 C29 C28 -7.3(5) . . . . ?
C30 N9 C29 C28 174.8(3) . . . . ?
C27 C28 C29 N9 40.7(4) . . . . ?
C33 N9 C30 C31 40.4(5) . . . . ?
C29 N9 C30 C31 -141.6(3) . . . . ?
N9 C30 C31 C32 -57.3(4) . . . . ?
C33 N10 C32 C31 -10.2(5) . . . . ?
Ru1 N10 C32 C31 179.7(2) . . . . ?
C30 C31 C32 N10 44.0(4) . . . . ?
C32 N10 C33 N9 -11.0(5) . . . . ?
Ru1 N10 C33 N9 159.1(3) . . . . ?
C32 N10 C33 N8 171.3(3) . . . . ?
Ru1 N10 C33 N8 -18.6(4) . . . . ?
C30 N9 C33 N10 -5.5(5) . . . . ?
C29 N9 C33 N10 176.7(3) . . . . ?
C30 N9 C33 N8 172.2(3) . . . . ?
C29 N9 C33 N8 -5.6(5) . . . . ?
C26 N8 C33 N10 -40.2(4) . . . . ?
C27 N8 C33 N10 159.8(3) . . . . ?
C26 N8 C33 N9 142.0(3) . . . . ?
C27 N8 C33 N9 -18.1(4) . . . . ?
C22 N6 C34 C35 -103.3(4) . . . . ?
C40 N6 C34 C35 56.4(4) . . . . ?
N6 C34 C35 C36 -64.2(4) . . . . ?
C40 N5 C36 C35 -0.6(6) . . . . ?
C37 N5 C36 C35 179.9(3) . . . . ?
C34 C35 C36 N5 37.0(5) . . . . ?
C40 N5 C37 C38 41.6(4) . . . . ?
C36 N5 C37 C38 -138.8(3) . . . . ?
N5 C37 C38 C39 -57.4(3) . . . . ?
C40 N4 C39 C38 -10.8(4) . . . . ?
Ru1 N4 C39 C38 174.9(2) . . . . ?
C37 C38 C39 N4 43.4(4) . . . . ?
C39 N4 C40 N5 -9.2(5) . . . . ?
Ru1 N4 C40 N5 164.9(2) . . . . ?
C39 N4 C40 N6 174.4(3) . . . . ?
Ru1 N4 C40 N6 -11.5(4) . . . . ?
C37 N5 C40 N4 -7.4(5) . . . . ?
C36 N5 C40 N4 173.1(3) . . . . ?
C37 N5 C40 N6 169.1(3) . . . . ?
C36 N5 C40 N6 -10.4(5) . . . . ?
C22 N6 C40 N4 -43.1(4) . . . . ?
C34 N6 C40 N4 158.5(3) . . . . ?
C22 N6 C40 N5 140.2(3) . . . . ?
C34 N6 C40 N5 -18.2(4) . . . . ?

_refine_diff_density_max         1.914
_refine_diff_density_min         -0.777
_refine_diff_density_rms         0.091
_database_code_depnum_ccdc_archive 'CCDC 978431'
#######################################################################
#
#                 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_amln69

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C41 H44 N10 Ru, 2(F6 P), C3 H6 O'
_chemical_formula_sum            'C44 H50 F12 N10 O P2 Ru'
_chemical_formula_weight         1125.95

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'
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 3.2960 '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  -P1

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

_cell_length_a                   8.5139(2)
_cell_length_b                   13.5117(4)
_cell_length_c                   21.1951(6)
_cell_angle_alpha                96.6310(10)
_cell_angle_beta                 94.8820(10)
_cell_angle_gamma                106.4660(10)
_cell_volume                     2304.75(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9398
_cell_measurement_theta_min      5.46
_cell_measurement_theta_max      69.31

_exptl_crystal_description       needle
_exptl_crystal_colour            purple-blue
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.03
_exptl_crystal_density_meas      1.622
_exptl_crystal_density_diffrn    1.622
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1148
_exptl_absorpt_coefficient_mu    4.275
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4397
_exptl_absorpt_correction_T_max  0.8825
_exptl_absorpt_process_details   'Bruker-AXS (Scale, Bruker-AXS)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            69864
_diffrn_reflns_av_R_equivalents  0.0374
_diffrn_reflns_av_sigmaI/netI    0.0214
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         3.45
_diffrn_reflns_theta_max         69.67
_reflns_number_total             8591
_reflns_number_gt                8487
_reflns_threshold_expression     >2sigma(I)

_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    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0632P)²+1.2653P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8591
_refine_ls_number_parameters     656
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0347
_refine_ls_R_factor_gt           0.0345
_refine_ls_wR_factor_ref         0.0950
_refine_ls_wR_factor_gt          0.0946
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_restrained_S_all      1.039
_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 0.423303(18) 0.744983(11) 0.215121(7) 0.03160(7) Uani 1 1 d . . .
P1 P 0.28164(8) 0.15920(5) 0.13889(3) 0.04531(15) Uani 1 1 d . . .
P2 P 0.0000 0.5000 0.5000 0.0512(2) Uani 1 2 d S . .
P3 P 1.0000 0.5000 0.0000 0.04019(18) Uani 1 2 d S . .
F1 F 0.2602(2) 0.26208(11) 0.11281(8) 0.0556(4) Uani 1 1 d . . .
F2 F 0.2324(3) 0.09820(15) 0.06748(9) 0.0754(5) Uani 1 1 d . . .
F3 F 0.0939(2) 0.12725(18) 0.15048(14) 0.0928(7) Uani 1 1 d . . .
F4 F 0.3033(2) 0.05670(12) 0.16418(9) 0.0608(4) Uani 1 1 d . . .
F5 F 0.3374(3) 0.22249(15) 0.20859(8) 0.0808(6) Uani 1 1 d . . .
F6 F 0.4701(2) 0.19200(15) 0.12508(9) 0.0690(5) Uani 1 1 d . . .
F7 F 0.1880(2) 0.54898(15) 0.48802(8) 0.0649(4) Uani 1 1 d . . .
F8 F -0.0364(2) 0.42690(15) 0.43242(8) 0.0672(5) Uani 1 1 d . . .
F9 F -0.0488(2) 0.58829(15) 0.46630(9) 0.0705(5) Uani 1 1 d . . .
F10 F 0.8709(4) 0.42336(18) 0.03388(15) 0.1121(10) Uani 1 1 d . . .
F11 F 1.1502(3) 0.4784(3) 0.03814(10) 0.1143(11) Uani 1 1 d . . .
F12 F 1.0049(2) 0.58990(16) 0.05543(10) 0.0811(6) Uani 1 1 d . . .
O1 O 0.4055(4) 0.18578(19) 0.41047(15) 0.0884(8) Uani 1 1 d . C .
N1 N 0.5457(2) 0.90443(14) 0.22620(9) 0.0356(4) Uani 1 1 d . . .
N2 N 0.3730(2) 0.79040(14) 0.29873(9) 0.0364(4) Uani 1 1 d . . .
N3 N 0.2826(2) 0.60391(14) 0.23721(9) 0.0356(4) Uani 1 1 d . . .
N4 N 0.6303(2) 0.70932(15) 0.25545(9) 0.0385(4) Uani 1 1 d . B .
N5 N 0.7368(3) 0.56992(17) 0.27008(10) 0.0487(5) Uani 1 1 d . B .
N6 N 0.5829(2) 0.56926(14) 0.17413(9) 0.0370(4) Uani 1 1 d . B .
N7 N 0.4848(2) 0.69591(14) 0.12688(9) 0.0335(4) Uani 1 1 d . B .
N8 N 0.3728(2) 0.81575(14) 0.08014(8) 0.0344(4) Uani 1 1 d . B .
N9 N 0.1108(2) 0.83623(15) 0.08102(9) 0.0385(4) Uani 1 1 d . B .
N10 N 0.2211(2) 0.76805(14) 0.16494(9) 0.0351(4) Uani 1 1 d . B .
C1 C 0.5118(3) 0.95879(18) 0.27932(11) 0.0385(5) Uani 1 1 d . . .
C2 C 0.5702(3) 1.06709(19) 0.29182(12) 0.0453(5) Uani 1 1 d . . .
H2 H 0.5419 1.1037 0.3280 0.054 Uiso 1 1 calc R . .
C3 C 0.6693(3) 1.12079(19) 0.25140(13) 0.0490(6) Uani 1 1 d . . .
H3 H 0.7089 1.1948 0.2592 0.059 Uiso 1 1 calc R . .
C4 C 0.7109(3) 1.0662(2) 0.19942(12) 0.0450(5) Uani 1 1 d . . .
H4 H 0.7830 1.1017 0.1720 0.054 Uiso 1 1 calc R . .
C5 C 0.6454(3) 0.95898(18) 0.18817(11) 0.0386(5) Uani 1 1 d . . .
H5 H 0.6721 0.9219 0.1518 0.046 Uiso 1 1 calc R . .
C6 C 0.4171(3) 0.89399(18) 0.32254(11) 0.0378(5) Uani 1 1 d . . .
C7 C 0.3816(3) 0.92690(18) 0.38240(11) 0.0417(5) Uani 1 1 d . . .
H7 H 0.4133 0.9993 0.3984 0.050 Uiso 1 1 calc R . .
C8 C 0.2988(3) 0.85402(19) 0.41983(11) 0.0425(5) Uani 1 1 d . . .
C9 C 0.2608(3) 0.74755(19) 0.39468(11) 0.0409(5) Uani 1 1 d . . .
H9 H 0.2092 0.6959 0.4193 0.049 Uiso 1 1 calc R . .
C10 C 0.2981(3) 0.71783(18) 0.33474(11) 0.0383(5) Uani 1 1 d . . .
C11 C 0.2588(3) 0.61053(18) 0.30052(10) 0.0374(4) Uani 1 1 d . . .
C12 C 0.1982(3) 0.52156(19) 0.32873(12) 0.0437(5) Uani 1 1 d . . .
H12 H 0.1864 0.5274 0.3731 0.052 Uiso 1 1 calc R . .
C13 C 0.1551(3) 0.4241(2) 0.29137(13) 0.0477(6) Uani 1 1 d . . .
H13 H 0.1183 0.3624 0.3102 0.057 Uiso 1 1 calc R . .
C14 C 0.1666(3) 0.4183(2) 0.22612(13) 0.0457(5) Uani 1 1 d . . .
H14 H 0.1311 0.3528 0.1992 0.055 Uiso 1 1 calc R . .
C15 C 0.2304(3) 0.50910(17) 0.20096(11) 0.0384(5) Uani 1 1 d . . .
H15 H 0.2377 0.5046 0.1563 0.046 Uiso 1 1 calc R . .
C16 C 0.2452(3) 0.8861(2) 0.48148(11) 0.0456(5) Uani 1 1 d . . .
C17 C 0.2337(4) 0.9862(2) 0.49784(13) 0.0524(6) Uani 1 1 d . . .
H17 H 0.2738 1.0381 0.4716 0.063 Uiso 1 1 calc R . .
C18 C 0.1642(4) 1.0111(2) 0.55210(13) 0.0568(7) Uani 1 1 d . . .
H18 H 0.1585 1.0802 0.5623 0.068 Uiso 1 1 calc R . .
C19 C 0.1030(3) 0.9390(2) 0.59179(12) 0.0524(6) Uani 1 1 d . . .
C20 C 0.1258(4) 0.8415(2) 0.57741(14) 0.0651(8) Uani 1 1 d . . .
H20 H 0.0919 0.7910 0.6051 0.078 Uiso 1 1 calc R . .
C21 C 0.1966(4) 0.8157(2) 0.52378(13) 0.0597(7) Uani 1 1 d . . .
H21 H 0.2121 0.7486 0.5159 0.072 Uiso 1 1 calc R . .
C22 C 0.0164(4) 0.9629(3) 0.64851(14) 0.0648(8) Uani 1 1 d . . .
H22A H 0.0973 0.9887 0.6869 0.097 Uiso 1 1 calc R . .
H22B H -0.0669 0.8994 0.6551 0.097 Uiso 1 1 calc R . .
H22C H -0.0372 1.0163 0.6403 0.097 Uiso 1 1 calc R . .
C23 C 0.7253(3) 0.7669(2) 0.31609(12) 0.0478(6) Uani 1 1 d . . .
H23A H 0.6730 0.8187 0.3342 0.057 Uiso 1 1 calc R A 1
H23B H 0.8390 0.8044 0.3090 0.057 Uiso 1 1 calc R A 1
C24A C 0.7295(6) 0.6901(4) 0.3614(2) 0.0509(10) Uani 0.58 1 d P B 1
H24A H 0.7985 0.7278 0.4017 0.061 Uiso 0.58 1 calc PR B 1
H24B H 0.6162 0.6593 0.3716 0.061 Uiso 0.58 1 calc PR B 1
C24B C 0.8483(7) 0.7304(5) 0.3469(3) 0.0440(13) Uani 0.42 1 d P B 2
H24C H 0.8679 0.7582 0.3931 0.053 Uiso 0.42 1 calc PR B 2
H24D H 0.9530 0.7556 0.3285 0.053 Uiso 0.42 1 calc PR B 2
C25 C 0.7915(4) 0.6088(2) 0.33777(14) 0.0595(7) Uani 1 1 d . . .
H25A H 0.7561 0.5504 0.3627 0.071 Uiso 1 1 calc R B 1
H25B H 0.9136 0.6341 0.3444 0.071 Uiso 1 1 calc R B 1
C26 C 0.7990(4) 0.4852(2) 0.24540(15) 0.0615(7) Uani 1 1 d . . .
H26A H 0.7624 0.4268 0.2702 0.074 Uiso 1 1 calc R B .
H26B H 0.9212 0.5096 0.2521 0.074 Uiso 1 1 calc R . .
C27 C 0.7428(3) 0.4455(2) 0.17555(14) 0.0523(6) Uani 1 1 d . B .
H27A H 0.7379 0.3711 0.1662 0.063 Uiso 1 1 calc R . .
H27B H 0.8212 0.4857 0.1492 0.063 Uiso 1 1 calc R . .
C28 C 0.5737(3) 0.45813(18) 0.16006(13) 0.0449(5) Uani 1 1 d . . .
H28A H 0.5332 0.4321 0.1143 0.054 Uiso 1 1 calc R B .
H28B H 0.4954 0.4168 0.1860 0.054 Uiso 1 1 calc R . .
C29 C 0.6528(3) 0.61990(18) 0.23489(11) 0.0382(5) Uani 1 1 d . . .
C30 C 0.5679(3) 0.62346(17) 0.12164(10) 0.0354(4) Uani 1 1 d . . .
C31 C 0.6337(3) 0.59899(18) 0.06697(11) 0.0412(5) Uani 1 1 d . B .
H31 H 0.6941 0.5496 0.0652 0.049 Uiso 1 1 calc R . .
C32 C 0.6101(3) 0.64760(19) 0.01469(11) 0.0420(5) Uani 1 1 d . . .
H32 H 0.6568 0.6331 -0.0232 0.050 Uiso 1 1 calc R B .
C33 C 0.5187(3) 0.71730(18) 0.01739(11) 0.0407(5) Uani 1 1 d . B .
H33 H 0.4976 0.7487 -0.0190 0.049 Uiso 1 1 calc R . .
C34 C 0.4581(3) 0.74080(16) 0.07437(10) 0.0343(4) Uani 1 1 d . . .
C35 C 0.3926(3) 0.89083(18) 0.03402(11) 0.0408(5) Uani 1 1 d . . .
H35A H 0.4968 0.8968 0.0152 0.049 Uiso 1 1 calc R B .
H35B H 0.3973 0.9605 0.0560 0.049 Uiso 1 1 calc R . .
C36 C 0.2469(3) 0.8528(2) -0.01834(12) 0.0487(6) Uani 1 1 d . B .
H36A H 0.2582 0.9020 -0.0501 0.058 Uiso 1 1 calc R . .
H36B H 0.2427 0.7834 -0.0407 0.058 Uiso 1 1 calc R . .
C37 C 0.0907(3) 0.8460(2) 0.01260(12) 0.0473(5) Uani 1 1 d . . .
H37A H 0.0569 0.9092 0.0076 0.057 Uiso 1 1 calc R B .
H37B H 0.0013 0.7849 -0.0100 0.057 Uiso 1 1 calc R . .
C38 C -0.0248(3) 0.8546(2) 0.11447(13) 0.0452(5) Uani 1 1 d . . .
H38A H -0.1306 0.8047 0.0936 0.054 Uiso 1 1 calc R B .
H38B H -0.0304 0.9260 0.1110 0.054 Uiso 1 1 calc R . .
C39 C -0.0020(3) 0.8422(2) 0.18415(12) 0.0447(5) Uani 1 1 d . B .
H39A H -0.1083 0.8316 0.2020 0.054 Uiso 1 1 calc R . .
H39B H 0.0786 0.9057 0.2087 0.054 Uiso 1 1 calc R . .
C40 C 0.0604(3) 0.74851(18) 0.18905(11) 0.0391(5) Uani 1 1 d . . .
H40A H 0.0715 0.7365 0.2342 0.047 Uiso 1 1 calc R B .
H40B H -0.0190 0.6855 0.1636 0.047 Uiso 1 1 calc R . .
C41 C 0.2295(3) 0.80393(16) 0.11040(10) 0.0341(4) Uani 1 1 d . . .
C42 C 0.5136(7) 0.3462(4) 0.3749(3) 0.122(2) Uani 1 1 d . C .
H42A H 0.6325 0.3555 0.3822 0.183 Uiso 1 1 calc R . .
H42B H 0.4936 0.4142 0.3825 0.183 Uiso 1 1 calc R . .
H42C H 0.4711 0.3137 0.3307 0.183 Uiso 1 1 calc R . .
C43 C 0.4270(4) 0.2771(3) 0.4203(2) 0.0795(10) Uani 1 1 d . . .
C44A C 0.3970(16) 0.3127(10) 0.4946(6) 0.111(4) Uani 0.57 1 d P C 1
H44A H 0.3012 0.3394 0.4939 0.167 Uiso 0.57 1 calc PR C 1
H44B H 0.4951 0.3676 0.5162 0.167 Uiso 0.57 1 calc PR C 1
H44C H 0.3771 0.2525 0.5177 0.167 Uiso 0.57 1 calc PR C 1
C44B C 0.364(2) 0.3379(13) 0.4634(7) 0.102(4) Uani 0.43 1 d P C 2
H44D H 0.2977 0.3730 0.4396 0.153 Uiso 0.43 1 calc PR C 2
H44E H 0.4561 0.3903 0.4907 0.153 Uiso 0.43 1 calc PR C 2
H44F H 0.2957 0.2932 0.4900 0.153 Uiso 0.43 1 calc PR C 2


_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 N2 1.9307(19) . ?
Ru1 N10 2.0639(18) . ?
Ru1 N7 2.0707(18) . ?
Ru1 N3 2.0722(19) . ?
Ru1 N1 2.0859(19) . ?
Ru1 N4 2.0947(19) . ?
P1 F5 1.5805(19) . ?
P1 F3 1.582(2) . ?
P1 F4 1.5933(16) . ?
P1 F2 1.5981(18) . ?
P1 F6 1.6011(18) . ?
P1 F1 1.6047(16) . ?
P2 F9 1.5916(18) 2_566 ?
P2 F9 1.5917(18) . ?
P2 F8 1.5961(17) 2_566 ?
P2 F8 1.5961(17) . ?
P2 F7 1.6038(17) . ?
P2 F7 1.6038(17) 2_566 ?
P3 F10 1.568(2) . ?
P3 F10 1.568(2) 2_765 ?
P3 F11 1.570(2) . ?
P3 F11 1.570(2) 2_765 ?
P3 F12 1.5784(15) 2_765 ?
P3 F12 1.5784(15) . ?
O1 C43 1.185(4) . ?
N1 C5 1.347(3) . ?
N1 C1 1.369(3) . ?
N2 C10 1.361(3) . ?
N2 C6 1.364(3) . ?
N3 C15 1.349(3) . ?
N3 C11 1.371(3) . ?
N4 C29 1.308(3) . ?
N4 C23 1.465(3) . ?
N5 C29 1.350(3) . ?
N5 C26 1.456(3) . ?
N5 C25 1.458(4) . ?
N6 C29 1.384(3) . ?
N6 C30 1.417(3) . ?
N6 C28 1.475(3) . ?
N7 C34 1.360(3) . ?
N7 C30 1.361(3) . ?
N8 C34 1.404(3) . ?
N8 C41 1.404(3) . ?
N8 C35 1.474(3) . ?
N9 C41 1.343(3) . ?
N9 C38 1.469(3) . ?
N9 C37 1.471(3) . ?
N10 C41 1.304(3) . ?
N10 C40 1.466(3) . ?
C1 C2 1.391(3) . ?
C1 C6 1.472(3) . ?
C2 C3 1.375(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.382(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.380(3) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C7 1.382(3) . ?
C7 C8 1.407(3) . ?
C7 H7 0.9500 . ?
C8 C9 1.410(3) . ?
C8 C16 1.478(3) . ?
C9 C10 1.378(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.477(3) . ?
C11 C12 1.391(3) . ?
C12 C13 1.390(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.389(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.381(3) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 C21 1.384(4) . ?
C16 C17 1.390(4) . ?
C17 C18 1.387(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.380(4) . ?
C18 H18 0.9500 . ?
C19 C20 1.388(4) . ?
C19 C22 1.513(4) . ?
C20 C21 1.386(4) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24B 1.419(6) . ?
C23 C24A 1.498(5) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24A C25 1.408(6) . ?
C24A H24A 0.9900 . ?
C24A H24B 0.9900 . ?
C24B C25 1.560(7) . ?
C24B H24C 0.9900 . ?
C24B H24D 0.9900 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.503(4) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.510(4) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C30 C31 1.376(3) . ?
C31 C32 1.380(3) . ?
C31 H31 0.9500 . ?
C32 C33 1.381(3) . ?
C32 H32 0.9500 . ?
C33 C34 1.392(3) . ?
C33 H33 0.9500 . ?
C35 C36 1.519(3) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.517(4) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C39 1.508(4) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 C40 1.516(3) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C42 C43 1.509(7) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C44B 1.397(14) . ?
C43 C44A 1.656(13) . ?
C44A H44A 0.9800 . ?
C44A H44B 0.9800 . ?
C44A H44C 0.9800 . ?
C44B H44D 0.9800 . ?
C44B H44E 0.9800 . ?
C44B H44F 0.9800 . ?

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
N2 Ru1 N10 95.57(7) . . ?
N2 Ru1 N7 178.06(7) . . ?
N10 Ru1 N7 86.36(7) . . ?
N2 Ru1 N3 79.86(7) . . ?
N10 Ru1 N3 91.95(7) . . ?
N7 Ru1 N3 100.31(7) . . ?
N2 Ru1 N1 79.03(7) . . ?
N10 Ru1 N1 90.37(7) . . ?
N7 Ru1 N1 100.78(7) . . ?
N3 Ru1 N1 158.89(8) . . ?
N2 Ru1 N4 91.37(8) . . ?
N10 Ru1 N4 172.68(7) . . ?
N7 Ru1 N4 86.71(7) . . ?
N3 Ru1 N4 86.99(7) . . ?
N1 Ru1 N4 93.23(7) . . ?
F5 P1 F3 91.82(15) . . ?
F5 P1 F4 90.57(10) . . ?
F3 P1 F4 90.79(10) . . ?
F5 P1 F2 177.53(14) . . ?
F3 P1 F2 90.44(14) . . ?
F4 P1 F2 90.37(10) . . ?
F5 P1 F6 89.47(13) . . ?
F3 P1 F6 178.33(13) . . ?
F4 P1 F6 90.25(10) . . ?
F2 P1 F6 88.24(12) . . ?
F5 P1 F1 89.88(9) . . ?
F3 P1 F1 89.44(10) . . ?
F4 P1 F1 179.49(10) . . ?
F2 P1 F1 89.17(9) . . ?
F6 P1 F1 89.50(10) . . ?
F9 P2 F9 179.999(1) 2_566 . ?
F9 P2 F8 89.81(10) 2_566 2_566 ?
F9 P2 F8 90.19(10) . 2_566 ?
F9 P2 F8 90.19(10) 2_566 . ?
F9 P2 F8 89.81(10) . . ?
F8 P2 F8 179.998(1) 2_566 . ?
F9 P2 F7 90.45(10) 2_566 . ?
F9 P2 F7 89.55(10) . . ?
F8 P2 F7 89.76(9) 2_566 . ?
F8 P2 F7 90.24(9) . . ?
F9 P2 F7 89.55(10) 2_566 2_566 ?
F9 P2 F7 90.45(10) . 2_566 ?
F8 P2 F7 90.24(9) 2_566 2_566 ?
F8 P2 F7 89.76(9) . 2_566 ?
F7 P2 F7 180.0 . 2_566 ?
F10 P3 F10 179.998(1) . 2_765 ?
F10 P3 F11 92.81(18) . . ?
F10 P3 F11 87.19(18) 2_765 . ?
F10 P3 F11 87.19(18) . 2_765 ?
F10 P3 F11 92.81(18) 2_765 2_765 ?
F11 P3 F11 179.998(1) . 2_765 ?
F10 P3 F12 91.81(12) . 2_765 ?
F10 P3 F12 88.18(12) 2_765 2_765 ?
F11 P3 F12 90.15(12) . 2_765 ?
F11 P3 F12 89.85(12) 2_765 2_765 ?
F10 P3 F12 88.19(12) . . ?
F10 P3 F12 91.81(12) 2_765 . ?
F11 P3 F12 89.85(12) . . ?
F11 P3 F12 90.15(12) 2_765 . ?
F12 P3 F12 180.0 2_765 . ?
C5 N1 C1 117.67(19) . . ?
C5 N1 Ru1 129.39(15) . . ?
C1 N1 Ru1 112.90(15) . . ?
C10 N2 C6 120.1(2) . . ?
C10 N2 Ru1 119.32(15) . . ?
C6 N2 Ru1 120.50(15) . . ?
C15 N3 C11 118.19(19) . . ?
C15 N3 Ru1 129.52(15) . . ?
C11 N3 Ru1 111.85(14) . . ?
C29 N4 C23 117.4(2) . . ?
C29 N4 Ru1 118.89(15) . . ?
C23 N4 Ru1 121.76(16) . . ?
C29 N5 C26 125.9(2) . . ?
C29 N5 C25 119.9(2) . . ?
C26 N5 C25 113.8(2) . . ?
C29 N6 C30 122.62(18) . . ?
C29 N6 C28 116.75(19) . . ?
C30 N6 C28 117.80(18) . . ?
C34 N7 C30 117.99(18) . . ?
C34 N7 Ru1 121.87(14) . . ?
C30 N7 Ru1 119.86(14) . . ?
C34 N8 C41 123.90(17) . . ?
C34 N8 C35 118.37(18) . . ?
C41 N8 C35 113.94(18) . . ?
C41 N9 C38 121.43(19) . . ?
C41 N9 C37 125.2(2) . . ?
C38 N9 C37 113.01(19) . . ?
C41 N10 C40 115.53(18) . . ?
C41 N10 Ru1 122.02(15) . . ?
C40 N10 Ru1 122.42(14) . . ?
N1 C1 C2 121.4(2) . . ?
N1 C1 C6 115.04(19) . . ?
C2 C1 C6 123.5(2) . . ?
C3 C2 C1 119.5(2) . . ?
C3 C2 H2 120.2 . . ?
C1 C2 H2 120.2 . . ?
C2 C3 C4 119.5(2) . . ?
C2 C3 H3 120.3 . . ?
C4 C3 H3 120.3 . . ?
C5 C4 C3 118.6(2) . . ?
C5 C4 H4 120.7 . . ?
C3 C4 H4 120.7 . . ?
N1 C5 C4 123.3(2) . . ?
N1 C5 H5 118.4 . . ?
C4 C5 H5 118.4 . . ?
N2 C6 C7 120.7(2) . . ?
N2 C6 C1 111.75(19) . . ?
C7 C6 C1 127.4(2) . . ?
C6 C7 C8 120.5(2) . . ?
C6 C7 H7 119.8 . . ?
C8 C7 H7 119.8 . . ?
C7 C8 C9 117.1(2) . . ?
C7 C8 C16 122.2(2) . . ?
C9 C8 C16 120.5(2) . . ?
C10 C9 C8 120.6(2) . . ?
C10 C9 H9 119.7 . . ?
C8 C9 H9 119.7 . . ?
N2 C10 C9 120.8(2) . . ?
N2 C10 C11 112.04(19) . . ?
C9 C10 C11 127.1(2) . . ?
N3 C11 C12 121.4(2) . . ?
N3 C11 C10 114.90(19) . . ?
C12 C11 C10 123.7(2) . . ?
C13 C12 C11 119.3(2) . . ?
C13 C12 H12 120.4 . . ?
C11 C12 H12 120.4 . . ?
C14 C13 C12 119.0(2) . . ?
C14 C13 H13 120.5 . . ?
C12 C13 H13 120.5 . . ?
C15 C14 C13 119.1(2) . . ?
C15 C14 H14 120.5 . . ?
C13 C14 H14 120.5 . . ?
N3 C15 C14 122.7(2) . . ?
N3 C15 H15 118.7 . . ?
C14 C15 H15 118.7 . . ?
C21 C16 C17 117.4(2) . . ?
C21 C16 C8 121.1(2) . . ?
C17 C16 C8 121.5(2) . . ?
C18 C17 C16 120.6(3) . . ?
C18 C17 H17 119.7 . . ?
C16 C17 H17 119.7 . . ?
C19 C18 C17 122.4(3) . . ?
C19 C18 H18 118.8 . . ?
C17 C18 H18 118.8 . . ?
C18 C19 C20 116.4(2) . . ?
C18 C19 C22 122.9(3) . . ?
C20 C19 C22 120.7(3) . . ?
C21 C20 C19 121.9(3) . . ?
C21 C20 H20 119.1 . . ?
C19 C20 H20 119.1 . . ?
C16 C21 C20 121.1(3) . . ?
C16 C21 H21 119.5 . . ?
C20 C21 H21 119.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24B C23 N4 120.0(3) . . ?
C24B C23 C24A 43.9(3) . . ?
N4 C23 C24A 108.1(3) . . ?
C24B C23 H23A 128.3 . . ?
N4 C23 H23A 110.1 . . ?
C24A C23 H23A 110.1 . . ?
C24B C23 H23B 66.4 . . ?
N4 C23 H23B 110.1 . . ?
C24A C23 H23B 110.1 . . ?
H23A C23 H23B 108.4 . . ?
C25 C24A C23 114.2(4) . . ?
C25 C24A H24A 108.7 . . ?
C23 C24A H24A 108.7 . . ?
C25 C24A H24B 108.7 . . ?
C23 C24A H24B 108.7 . . ?
H24A C24A H24B 107.6 . . ?
C23 C24B C25 109.9(4) . . ?
C23 C24B H24C 109.7 . . ?
C25 C24B H24C 109.7 . . ?
C23 C24B H24D 109.7 . . ?
C25 C24B H24D 109.7 . . ?
H24C C24B H24D 108.2 . . ?
C24A C25 N5 113.4(3) . . ?
C24A C25 C24B 42.8(3) . . ?
N5 C25 C24B 108.6(3) . . ?
C24A C25 H25A 108.9 . . ?
N5 C25 H25A 108.9 . . ?
C24B C25 H25A 140.4 . . ?
C24A C25 H25B 108.9 . . ?
N5 C25 H25B 108.9 . . ?
C24B C25 H25B 71.0 . . ?
H25A C25 H25B 107.7 . . ?
N5 C26 C27 113.6(2) . . ?
N5 C26 H26A 108.8 . . ?
C27 C26 H26A 108.8 . . ?
N5 C26 H26B 108.8 . . ?
C27 C26 H26B 108.8 . . ?
H26A C26 H26B 107.7 . . ?
C26 C27 C28 108.0(2) . . ?
C26 C27 H27A 110.1 . . ?
C28 C27 H27A 110.1 . . ?
C26 C27 H27B 110.1 . . ?
C28 C27 H27B 110.1 . . ?
H27A C27 H27B 108.4 . . ?
N6 C28 C27 109.5(2) . . ?
N6 C28 H28A 109.8 . . ?
C27 C28 H28A 109.8 . . ?
N6 C28 H28B 109.8 . . ?
C27 C28 H28B 109.8 . . ?
H28A C28 H28B 108.2 . . ?
N4 C29 N5 124.3(2) . . ?
N4 C29 N6 119.5(2) . . ?
N5 C29 N6 116.2(2) . . ?
N7 C30 C31 122.7(2) . . ?
N7 C30 N6 118.38(19) . . ?
C31 C30 N6 118.9(2) . . ?
C30 C31 C32 118.6(2) . . ?
C30 C31 H31 120.7 . . ?
C32 C31 H31 120.7 . . ?
C31 C32 C33 120.0(2) . . ?
C31 C32 H32 120.0 . . ?
C33 C32 H32 120.0 . . ?
C32 C33 C34 118.8(2) . . ?
C32 C33 H33 120.6 . . ?
C34 C33 H33 120.6 . . ?
N7 C34 C33 121.7(2) . . ?
N7 C34 N8 117.73(18) . . ?
C33 C34 N8 120.52(19) . . ?
N8 C35 C36 108.76(19) . . ?
N8 C35 H35A 109.9 . . ?
C36 C35 H35A 109.9 . . ?
N8 C35 H35B 109.9 . . ?
C36 C35 H35B 109.9 . . ?
H35A C35 H35B 108.3 . . ?
C37 C36 C35 108.1(2) . . ?
C37 C36 H36A 110.1 . . ?
C35 C36 H36A 110.1 . . ?
C37 C36 H36B 110.1 . . ?
C35 C36 H36B 110.1 . . ?
H36A C36 H36B 108.4 . . ?
N9 C37 C36 113.0(2) . . ?
N9 C37 H37A 109.0 . . ?
C36 C37 H37A 109.0 . . ?
N9 C37 H37B 109.0 . . ?
C36 C37 H37B 109.0 . . ?
H37A C37 H37B 107.8 . . ?
N9 C38 C39 111.68(19) . . ?
N9 C38 H38A 109.3 . . ?
C39 C38 H38A 109.3 . . ?
N9 C38 H38B 109.3 . . ?
C39 C38 H38B 109.3 . . ?
H38A C38 H38B 107.9 . . ?
C38 C39 C40 108.2(2) . . ?
C38 C39 H39A 110.1 . . ?
C40 C39 H39A 110.1 . . ?
C38 C39 H39B 110.1 . . ?
C40 C39 H39B 110.1 . . ?
H39A C39 H39B 108.4 . . ?
N10 C40 C39 109.02(18) . . ?
N10 C40 H40A 109.9 . . ?
C39 C40 H40A 109.9 . . ?
N10 C40 H40B 109.9 . . ?
C39 C40 H40B 109.9 . . ?
H40A C40 H40B 108.3 . . ?
N10 C41 N9 124.3(2) . . ?
N10 C41 N8 119.99(19) . . ?
N9 C41 N8 115.63(19) . . ?
C43 C42 H42A 109.5 . . ?
C43 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C43 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
O1 C43 C44B 131.4(8) . . ?
O1 C43 C42 120.1(4) . . ?
C44B C43 C42 107.7(7) . . ?
O1 C43 C44A 110.4(6) . . ?
C44B C43 C44A 30.4(6) . . ?
C42 C43 C44A 127.5(6) . . ?
C43 C44A H44A 109.5 . . ?
C43 C44A H44B 109.5 . . ?
C43 C44A H44C 109.5 . . ?
C43 C44B H44D 109.5 . . ?
C43 C44B H44E 109.5 . . ?
H44D C44B H44E 109.5 . . ?
C43 C44B H44F 109.5 . . ?
H44D C44B H44F 109.5 . . ?
H44E C44B H44F 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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag








N2 Ru1 N1 C5 174.4(2) . . . . ?
N10 Ru1 N1 C5 -90.03(19) . . . . ?
N7 Ru1 N1 C5 -3.7(2) . . . . ?
N3 Ru1 N1 C5 173.61(19) . . . . ?
N4 Ru1 N1 C5 83.60(19) . . . . ?
N2 Ru1 N1 C1 -7.95(15) . . . . ?
N10 Ru1 N1 C1 87.65(15) . . . . ?
N7 Ru1 N1 C1 174.02(15) . . . . ?
N3 Ru1 N1 C1 -8.7(3) . . . . ?
N4 Ru1 N1 C1 -98.72(15) . . . . ?
N10 Ru1 N2 C10 99.47(17) . . . . ?
N3 Ru1 N2 C10 8.49(17) . . . . ?
N1 Ru1 N2 C10 -171.23(18) . . . . ?
N4 Ru1 N2 C10 -78.21(17) . . . . ?
N10 Ru1 N2 C6 -82.78(17) . . . . ?
N3 Ru1 N2 C6 -173.77(18) . . . . ?
N1 Ru1 N2 C6 6.51(16) . . . . ?
N4 Ru1 N2 C6 99.54(17) . . . . ?
N2 Ru1 N3 C15 175.2(2) . . . . ?
N10 Ru1 N3 C15 79.92(19) . . . . ?
N7 Ru1 N3 C15 -6.7(2) . . . . ?
N1 Ru1 N3 C15 175.99(19) . . . . ?
N4 Ru1 N3 C15 -92.8(2) . . . . ?
N2 Ru1 N3 C11 -12.70(15) . . . . ?
N10 Ru1 N3 C11 -108.01(15) . . . . ?
N7 Ru1 N3 C11 165.33(15) . . . . ?
N1 Ru1 N3 C11 -11.9(3) . . . . ?
N4 Ru1 N3 C11 79.23(15) . . . . ?
N2 Ru1 N4 C29 133.22(18) . . . . ?
N7 Ru1 N4 C29 -47.07(18) . . . . ?
N3 Ru1 N4 C29 53.45(18) . . . . ?
N1 Ru1 N4 C29 -147.69(18) . . . . ?
N2 Ru1 N4 C23 -30.50(19) . . . . ?
N7 Ru1 N4 C23 149.21(19) . . . . ?
N3 Ru1 N4 C23 -110.27(18) . . . . ?
N1 Ru1 N4 C23 48.58(19) . . . . ?
N3 Ru1 N7 C34 127.63(16) . . . . ?
N1 Ru1 N7 C34 -53.37(17) . . . . ?
N4 Ru1 N7 C34 -146.03(17) . . . . ?
N2 Ru1 N7 C30 36(2) . . . . ?
N10 Ru1 N7 C30 -149.86(16) . . . . ?
N3 Ru1 N7 C30 -58.54(17) . . . . ?
N1 Ru1 N7 C30 120.46(16) . . . . ?
N4 Ru1 N7 C30 27.80(16) . . . . ?
N2 Ru1 N10 C41 142.06(17) . . . . ?
N7 Ru1 N10 C41 -37.73(17) . . . . ?
N3 Ru1 N10 C41 -137.94(17) . . . . ?
N1 Ru1 N10 C41 63.05(17) . . . . ?
N2 Ru1 N10 C40 -35.92(17) . . . . ?
N7 Ru1 N10 C40 144.29(17) . . . . ?
N3 Ru1 N10 C40 44.08(17) . . . . ?
N1 Ru1 N10 C40 -114.93(17) . . . . ?
C5 N1 C1 C2 3.7(3) . . . . ?
Ru1 N1 C1 C2 -174.30(18) . . . . ?
C5 N1 C1 C6 -173.68(19) . . . . ?
Ru1 N1 C1 C6 8.3(2) . . . . ?
N1 C1 C2 C3 -2.5(4) . . . . ?
C6 C1 C2 C3 174.6(2) . . . . ?
C1 C2 C3 C4 -0.8(4) . . . . ?
C2 C3 C4 C5 2.7(4) . . . . ?
C1 N1 C5 C4 -1.6(3) . . . . ?
Ru1 N1 C5 C4 175.95(17) . . . . ?
C3 C4 C5 N1 -1.5(4) . . . . ?
C10 N2 C6 C7 -2.2(3) . . . . ?
Ru1 N2 C6 C7 -179.92(17) . . . . ?
C10 N2 C6 C1 173.90(19) . . . . ?
Ru1 N2 C6 C1 -3.8(3) . . . . ?
N1 C1 C6 N2 -3.4(3) . . . . ?
C2 C1 C6 N2 179.3(2) . . . . ?
N1 C1 C6 C7 172.3(2) . . . . ?
C2 C1 C6 C7 -5.0(4) . . . . ?
N2 C6 C7 C8 -0.2(4) . . . . ?
C1 C6 C7 C8 -175.6(2) . . . . ?
C6 C7 C8 C9 2.5(4) . . . . ?
C6 C7 C8 C16 -174.4(2) . . . . ?
C7 C8 C9 C10 -2.6(4) . . . . ?
C16 C8 C9 C10 174.4(2) . . . . ?
C6 N2 C10 C9 2.1(3) . . . . ?
Ru1 N2 C10 C9 179.82(17) . . . . ?
C6 N2 C10 C11 179.47(19) . . . . ?
Ru1 N2 C10 C11 -2.8(3) . . . . ?
C8 C9 C10 N2 0.4(4) . . . . ?
C8 C9 C10 C11 -176.6(2) . . . . ?
C15 N3 C11 C12 6.5(3) . . . . ?
Ru1 N3 C11 C12 -166.52(18) . . . . ?
C15 N3 C11 C10 -171.98(19) . . . . ?
Ru1 N3 C11 C10 15.0(2) . . . . ?
N2 C10 C11 N3 -8.6(3) . . . . ?
C9 C10 C11 N3 168.6(2) . . . . ?
N2 C10 C11 C12 172.9(2) . . . . ?
C9 C10 C11 C12 -9.9(4) . . . . ?
N3 C11 C12 C13 -2.5(4) . . . . ?
C10 C11 C12 C13 175.9(2) . . . . ?
C11 C12 C13 C14 -2.9(4) . . . . ?
C12 C13 C14 C15 4.1(4) . . . . ?
C11 N3 C15 C14 -5.4(3) . . . . ?
Ru1 N3 C15 C14 166.27(18) . . . . ?
C13 C14 C15 N3 0.1(4) . . . . ?
C7 C8 C16 C21 -166.0(3) . . . . ?
C9 C8 C16 C21 17.2(4) . . . . ?
C7 C8 C16 C17 17.2(4) . . . . ?
C9 C8 C16 C17 -159.6(3) . . . . ?
C21 C16 C17 C18 -4.8(4) . . . . ?
C8 C16 C17 C18 172.0(3) . . . . ?
C16 C17 C18 C19 -0.4(5) . . . . ?
C17 C18 C19 C20 4.8(5) . . . . ?
C17 C18 C19 C22 -175.7(3) . . . . ?
C18 C19 C20 C21 -4.0(5) . . . . ?
C22 C19 C20 C21 176.4(3) . . . . ?
C17 C16 C21 C20 5.6(5) . . . . ?
C8 C16 C21 C20 -171.3(3) . . . . ?
C19 C20 C21 C16 -1.2(5) . . . . ?
C29 N4 C23 C24B 6.2(4) . . . . ?
Ru1 N4 C23 C24B 170.2(3) . . . . ?
C29 N4 C23 C24A -40.4(3) . . . . ?
Ru1 N4 C23 C24A 123.6(3) . . . . ?
C24B C23 C24A C25 -59.3(5) . . . . ?
N4 C23 C24A C25 55.5(4) . . . . ?
N4 C23 C24B C25 -36.4(5) . . . . ?
C24A C23 C24B C25 48.8(4) . . . . ?
C23 C24A C25 N5 -39.7(5) . . . . ?
C23 C24A C25 C24B 52.9(4) . . . . ?
C29 N5 C25 C24A 7.8(4) . . . . ?
C26 N5 C25 C24A -179.5(3) . . . . ?
C29 N5 C25 C24B -37.9(4) . . . . ?
C26 N5 C25 C24B 134.8(3) . . . . ?
C23 C24B C25 C24A -54.8(4) . . . . ?
C23 C24B C25 N5 49.8(5) . . . . ?
C29 N5 C26 C27 -7.6(4) . . . . ?
C25 N5 C26 C27 -179.8(3) . . . . ?
N5 C26 C27 C28 -31.4(4) . . . . ?
C29 N6 C28 C27 -53.3(3) . . . . ?
C30 N6 C28 C27 108.1(2) . . . . ?
C26 C27 C28 N6 59.8(3) . . . . ?
C23 N4 C29 N5 10.8(3) . . . . ?
Ru1 N4 C29 N5 -153.60(19) . . . . ?
C23 N4 C29 N6 -171.5(2) . . . . ?
Ru1 N4 C29 N6 24.1(3) . . . . ?
C26 N5 C29 N4 -164.2(3) . . . . ?
C25 N5 C29 N4 7.6(4) . . . . ?
C26 N5 C29 N6 18.1(4) . . . . ?
C25 N5 C29 N6 -170.1(2) . . . . ?
C30 N6 C29 N4 35.5(3) . . . . ?
C28 N6 C29 N4 -164.0(2) . . . . ?
C30 N6 C29 N5 -146.6(2) . . . . ?
C28 N6 C29 N5 13.9(3) . . . . ?
C34 N7 C30 C31 4.0(3) . . . . ?
Ru1 N7 C30 C31 -170.08(17) . . . . ?
C34 N7 C30 N6 -174.21(19) . . . . ?
Ru1 N7 C30 N6 11.7(3) . . . . ?
C29 N6 C30 N7 -56.8(3) . . . . ?
C28 N6 C30 N7 142.9(2) . . . . ?
C29 N6 C30 C31 124.9(2) . . . . ?
C28 N6 C30 C31 -35.4(3) . . . . ?
N7 C30 C31 C32 -2.0(3) . . . . ?
N6 C30 C31 C32 176.2(2) . . . . ?
C30 C31 C32 C33 -1.5(4) . . . . ?
C31 C32 C33 C34 2.9(4) . . . . ?
C30 N7 C34 C33 -2.5(3) . . . . ?
Ru1 N7 C34 C33 171.44(16) . . . . ?
C30 N7 C34 N8 -179.75(18) . . . . ?
Ru1 N7 C34 N8 -5.8(3) . . . . ?
C32 C33 C34 N7 -0.9(3) . . . . ?
C32 C33 C34 N8 176.3(2) . . . . ?
C41 N8 C34 N7 -44.7(3) . . . . ?
C35 N8 C34 N7 158.62(19) . . . . ?
C41 N8 C34 C33 138.0(2) . . . . ?
C35 N8 C34 C33 -18.7(3) . . . . ?
C34 N8 C35 C36 98.1(2) . . . . ?
C41 N8 C35 C36 -60.9(2) . . . . ?
N8 C35 C36 C37 60.1(3) . . . . ?
C41 N9 C37 C36 -20.1(3) . . . . ?
C38 N9 C37 C36 166.3(2) . . . . ?
C35 C36 C37 N9 -22.5(3) . . . . ?
C41 N9 C38 C39 5.1(3) . . . . ?
C37 N9 C38 C39 179.0(2) . . . . ?
N9 C38 C39 C40 -41.0(3) . . . . ?
C41 N10 C40 C39 -47.2(3) . . . . ?
Ru1 N10 C40 C39 130.86(17) . . . . ?
C38 C39 C40 N10 62.2(2) . . . . ?
C40 N10 C41 N9 9.4(3) . . . . ?
Ru1 N10 C41 N9 -168.70(16) . . . . ?
C40 N10 C41 N8 -173.88(18) . . . . ?
Ru1 N10 C41 N8 8.0(3) . . . . ?
C38 N9 C41 N10 13.2(3) . . . . ?
C37 N9 C41 N10 -160.0(2) . . . . ?
C38 N9 C41 N8 -163.69(19) . . . . ?
C37 N9 C41 N8 23.2(3) . . . . ?
C34 N8 C41 N10 44.2(3) . . . . ?
C35 N8 C41 N10 -158.21(19) . . . . ?
C34 N8 C41 N9 -138.9(2) . . . . ?
C35 N8 C41 N9 18.8(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.988
_diffrn_reflns_theta_full        69.67
_diffrn_measured_fraction_theta_full 0.988
_refine_diff_density_max         0.713
_refine_diff_density_min         -0.818
_refine_diff_density_rms         0.063
_database_code_depnum_ccdc_archive 'CCDC 988218'
#######################################################################
#
#                 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_amln83_0m

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C38 H39 Br N12 Ru, 2(F6 P), C3 H6 O'
_chemical_formula_sum            'C41 H45 Br F12 N12 O P2 Ru'
_chemical_formula_weight         1192.81

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'
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'
Br Br -0.6763 1.2805 '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           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n
_symmetry_space_group_name_Hall  -P2yn

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

_cell_length_a                   8.5505(3)
_cell_length_b                   44.2040(14)
_cell_length_c                   12.3222(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.705(2)
_cell_angle_gamma                90.00
_cell_volume                     4625.5(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9945
_cell_measurement_theta_min      3.75
_cell_measurement_theta_max      71.17

_exptl_crystal_description       needle
_exptl_crystal_colour            purple
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      1.713
_exptl_crystal_density_diffrn    1.713
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2400
_exptl_absorpt_coefficient_mu    5.286
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5044
_exptl_absorpt_correction_T_max  0.8164
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1997)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            62112
_diffrn_reflns_av_R_equivalents  0.1031
_diffrn_reflns_av_sigmaI/netI    0.0479
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -49
_diffrn_reflns_limit_k_max       53
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.00
_diffrn_reflns_theta_max         71.40
_reflns_number_total             8973
_reflns_number_gt                7553
_reflns_threshold_expression     >2sigma(I)

_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    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0726P)²+6.2925P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8973
_refine_ls_number_parameters     633
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0564
_refine_ls_R_factor_gt           0.0457
_refine_ls_wR_factor_ref         0.1239
_refine_ls_wR_factor_gt          0.1142
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.036
_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
Br1 Br 1.53301(5) -0.048850(10) -0.20054(4) 0.04081(13) Uani 1 1 d . . .
Ru1 Ru 0.91260(3) 0.140440(5) 0.06508(2) 0.01773(9) Uani 1 1 d . . .
P1 P 0.27792(12) 0.09120(2) 0.49660(8) 0.0313(2) Uani 1 1 d . . .
P2 P 0.65568(12) 0.24488(2) 0.57057(8) 0.0267(2) Uani 1 1 d . . .
F1 F 0.2574(4) 0.05908(6) 0.4394(2) 0.0515(7) Uani 1 1 d . . .
F2 F 0.1112(3) 0.08718(7) 0.5419(2) 0.0522(7) Uani 1 1 d . . .
F3 F 0.1926(3) 0.10697(6) 0.3885(2) 0.0427(6) Uani 1 1 d . . .
F4 F 0.2948(4) 0.12392(6) 0.5547(2) 0.0538(7) Uani 1 1 d . . .
F5 F 0.4451(3) 0.09592(8) 0.4531(3) 0.0575(8) Uani 1 1 d . . .
F6 F 0.3632(4) 0.07595(6) 0.6057(2) 0.0493(7) Uani 1 1 d . . .
F7 F 0.6124(4) 0.21058(6) 0.5923(3) 0.0575(8) Uani 1 1 d . . .
F8 F 0.5932(3) 0.24139(7) 0.4450(2) 0.0459(6) Uani 1 1 d . . .
F9 F 0.4855(4) 0.25500(8) 0.5936(3) 0.0661(9) Uani 1 1 d . . .
F10 F 0.7002(4) 0.27913(5) 0.5501(2) 0.0467(6) Uani 1 1 d . . .
F11 F 0.7238(4) 0.24850(7) 0.6964(2) 0.0593(8) Uani 1 1 d . . .
F12 F 0.8284(3) 0.23453(6) 0.5455(2) 0.0466(6) Uani 1 1 d . . .
O1 O 0.7475(6) 0.04432(11) 0.8144(3) 0.0726(12) Uani 1 1 d . . .
N1 N 0.9682(3) 0.15455(6) -0.0867(2) 0.0206(6) Uani 1 1 d . . .
N2 N 0.9968(3) 0.10382(6) 0.0105(2) 0.0211(6) Uani 1 1 d . . .
N3 N 1.0923(4) 0.07758(7) -0.1341(2) 0.0245(6) Uani 1 1 d . . .
N4 N 1.0716(4) 0.05285(6) 0.0374(3) 0.0242(6) Uani 1 1 d . . .
N5 N 0.8849(3) 0.11016(6) 0.1914(2) 0.0196(5) Uani 1 1 d . . .
N6 N 0.8164(3) 0.17919(6) 0.1241(2) 0.0206(6) Uani 1 1 d . . .
N7 N 0.6461(4) 0.18246(7) -0.0421(2) 0.0239(6) Uani 1 1 d . . .
N8 N 0.4912(4) 0.14734(7) -0.1478(3) 0.0311(7) Uani 1 1 d . . .
N9 N 0.6863(3) 0.13119(6) -0.0105(2) 0.0211(6) Uani 1 1 d . . .
N10 N 0.9973(4) 0.17549(6) 0.2848(2) 0.0221(6) Uani 1 1 d . . .
N11 N 1.2721(4) 0.17256(7) 0.3036(3) 0.0263(6) Uani 1 1 d . . .
N12 N 1.1250(3) 0.15550(6) 0.1429(2) 0.0196(6) Uani 1 1 d . . .
C1 C 1.0066(4) 0.13086(8) -0.1519(3) 0.0225(7) Uani 1 1 d . . .
C2 C 1.0192(5) 0.13428(9) -0.2617(3) 0.0277(7) Uani 1 1 d . . .
H2 H 1.0447 0.1175 -0.3045 0.033 Uiso 1 1 calc R . .
C3 C 0.9939(5) 0.16278(9) -0.3089(3) 0.0298(8) Uani 1 1 d . . .
H3 H 0.9950 0.1655 -0.3852 0.036 Uiso 1 1 calc R . .
C4 C 0.9672(4) 0.18704(8) -0.2425(3) 0.0278(8) Uani 1 1 d . . .
H4 H 0.9552 0.2068 -0.2724 0.033 Uiso 1 1 calc R . .
C5 C 0.9582(4) 0.18234(8) -0.1324(3) 0.0226(7) Uani 1 1 d . . .
H5 H 0.9445 0.1993 -0.0872 0.027 Uiso 1 1 calc R . .
C6 C 1.0340(4) 0.10211(8) -0.0927(3) 0.0226(7) Uani 1 1 d . . .
C7 C 1.1155(4) 0.05385(8) -0.0643(3) 0.0253(7) Uani 1 1 d . . .
C8 C 1.0116(4) 0.07821(8) 0.0716(3) 0.0217(7) Uani 1 1 d . . .
C9 C 0.9468(4) 0.08211(8) 0.1760(3) 0.0221(7) Uani 1 1 d . . .
C10 C 0.9401(5) 0.05852(8) 0.2501(3) 0.0266(7) Uani 1 1 d . . .
H10 H 0.9858 0.0394 0.2376 0.032 Uiso 1 1 calc R . .
C11 C 0.8654(5) 0.06343(9) 0.3425(3) 0.0300(8) Uani 1 1 d . . .
H11 H 0.8600 0.0478 0.3950 0.036 Uiso 1 1 calc R . .
C12 C 0.7988(5) 0.09142(9) 0.3568(3) 0.0287(8) Uani 1 1 d . . .
H12 H 0.7446 0.0951 0.4186 0.034 Uiso 1 1 calc R . .
C13 C 0.8111(4) 0.11396(8) 0.2816(3) 0.0227(7) Uani 1 1 d . . .
H13 H 0.7656 0.1331 0.2935 0.027 Uiso 1 1 calc R . .
C14 C 1.2023(5) 0.02762(8) -0.1017(3) 0.0275(8) Uani 1 1 d . . .
C15 C 1.2568(5) 0.02804(8) -0.2044(3) 0.0307(8) Uani 1 1 d . . .
H15 H 1.2273 0.0441 -0.2537 0.037 Uiso 1 1 calc R . .
C16 C 1.3540(5) 0.00505(9) -0.2346(3) 0.0327(8) Uani 1 1 d . . .
H16 H 1.3916 0.0052 -0.3042 0.039 Uiso 1 1 calc R . .
C17 C 1.3949(5) -0.01818(8) -0.1606(4) 0.0305(8) Uani 1 1 d . . .
C18 C 1.3389(5) -0.01939(8) -0.0602(3) 0.0306(8) Uani 1 1 d . . .
H18 H 1.3660 -0.0359 -0.0121 0.037 Uiso 1 1 calc R . .
C19 C 1.2426(5) 0.00363(8) -0.0301(3) 0.0274(7) Uani 1 1 d . . .
H19 H 1.2042 0.0031 0.0392 0.033 Uiso 1 1 calc R . .
C20 C 0.6913(4) 0.19267(7) 0.0653(3) 0.0228(7) Uani 1 1 d . . .
C21 C 0.6106(5) 0.21627(8) 0.1071(3) 0.0282(8) Uani 1 1 d . . .
H21 H 0.5208 0.2249 0.0658 0.034 Uiso 1 1 calc R . .
C22 C 0.6630(5) 0.22709(8) 0.2099(3) 0.0292(8) Uani 1 1 d . . .
H22 H 0.6093 0.2434 0.2398 0.035 Uiso 1 1 calc R . .
C23 C 0.7932(5) 0.21438(8) 0.2695(3) 0.0267(7) Uani 1 1 d . . .
H23 H 0.8309 0.2219 0.3399 0.032 Uiso 1 1 calc R . .
C24 C 0.8684(4) 0.19019(7) 0.2244(3) 0.0220(7) Uani 1 1 d . . .
C25 C 0.5955(5) 0.20548(8) -0.1261(3) 0.0292(8) Uani 1 1 d . . .
H25A H 0.6582 0.2033 -0.1883 0.035 Uiso 1 1 calc R . .
H25B H 0.6144 0.2260 -0.0948 0.035 Uiso 1 1 calc R . .
C26 C 0.4239(5) 0.20182(9) -0.1659(4) 0.0373(9) Uani 1 1 d . . .
H26A H 0.3903 0.2172 -0.2221 0.045 Uiso 1 1 calc R . .
H26B H 0.3598 0.2042 -0.1045 0.045 Uiso 1 1 calc R . .
C27 C 0.4030(6) 0.17026(10) -0.2141(4) 0.0456(11) Uani 1 1 d . . .
H27A H 0.2898 0.1649 -0.2220 0.055 Uiso 1 1 calc R . .
H27B H 0.4377 0.1703 -0.2880 0.055 Uiso 1 1 calc R . .
C28 C 0.4641(6) 0.11596(10) -0.1864(4) 0.0406(10) Uani 1 1 d . . .
H28A H 0.5440 0.1101 -0.2345 0.049 Uiso 1 1 calc R . .
H28B H 0.3585 0.1141 -0.2285 0.049 Uiso 1 1 calc R . .
C29 C 0.4759(5) 0.09515(10) -0.0852(4) 0.0410(10) Uani 1 1 d . . .
H29A H 0.3925 0.1003 -0.0390 0.049 Uiso 1 1 calc R . .
H29B H 0.4620 0.0738 -0.1082 0.049 Uiso 1 1 calc R . .
C30 C 0.6331(5) 0.09947(8) -0.0229(3) 0.0293(8) Uani 1 1 d . . .
H30A H 0.6316 0.0906 0.0508 0.035 Uiso 1 1 calc R . .
H30B H 0.7113 0.0880 -0.0597 0.035 Uiso 1 1 calc R . .
C31 C 0.6067(4) 0.15247(8) -0.0664(3) 0.0226(7) Uani 1 1 d . . .
C32 C 1.0169(5) 0.17883(8) 0.4043(3) 0.0260(7) Uani 1 1 d . . .
H32A H 1.0513 0.1594 0.4394 0.031 Uiso 1 1 calc R . .
H32B H 0.9157 0.1847 0.4298 0.031 Uiso 1 1 calc R . .
C33 C 1.1410(5) 0.20326(9) 0.4345(3) 0.0331(8) Uani 1 1 d . . .
H33A H 1.1110 0.2223 0.3950 0.040 Uiso 1 1 calc R . .
H33B H 1.1510 0.2074 0.5140 0.040 Uiso 1 1 calc R . .
C34 C 1.2945(5) 0.19145(9) 0.4022(3) 0.0344(9) Uani 1 1 d . . .
H34A H 1.3633 0.2088 0.3891 0.041 Uiso 1 1 calc R . .
H34B H 1.3483 0.1794 0.4632 0.041 Uiso 1 1 calc R . .
C35 C 1.4181(5) 0.15720(10) 0.2814(3) 0.0325(8) Uani 1 1 d . . .
H35A H 1.4609 0.1455 0.3468 0.039 Uiso 1 1 calc R . .
H35B H 1.4973 0.1726 0.2669 0.039 Uiso 1 1 calc R . .
C36 C 1.3905(4) 0.13610(9) 0.1847(3) 0.0285(8) Uani 1 1 d . . .
H36A H 1.3471 0.1166 0.2074 0.034 Uiso 1 1 calc R . .
H36B H 1.4911 0.1320 0.1550 0.034 Uiso 1 1 calc R . .
C37 C 1.2742(4) 0.15118(8) 0.0977(3) 0.0256(7) Uani 1 1 d . . .
H37A H 1.3161 0.1709 0.0767 0.031 Uiso 1 1 calc R . .
H37B H 1.2579 0.1383 0.0317 0.031 Uiso 1 1 calc R . .
C38 C 1.1354(4) 0.16758(7) 0.2402(3) 0.0213(7) Uani 1 1 d . . .
C39 C 0.7664(7) 0.06812(14) 0.6466(5) 0.0629(15) Uani 1 1 d . . .
H39A H 0.7589 0.0866 0.6895 0.094 Uiso 1 1 calc R . .
H39B H 0.6758 0.0669 0.5903 0.094 Uiso 1 1 calc R . .
H39C H 0.8638 0.0685 0.6119 0.094 Uiso 1 1 calc R . .
C40 C 0.7676(6) 0.04136(12) 0.7198(4) 0.0473(11) Uani 1 1 d . . .
C41 C 0.7958(13) 0.01132(16) 0.6728(9) 0.113(4) Uani 1 1 d . . .
H41A H 0.7920 -0.0043 0.7290 0.170 Uiso 1 1 calc R . .
H41B H 0.8995 0.0111 0.6464 0.170 Uiso 1 1 calc R . .
H41C H 0.7144 0.0072 0.6118 0.170 Uiso 1 1 calc R . .


_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
Br1 C17 1.900(4) . ?
Ru1 N2 1.925(3) . ?
Ru1 N12 2.063(3) . ?
Ru1 N6 2.069(3) . ?
Ru1 N1 2.079(3) . ?
Ru1 N9 2.087(3) . ?
Ru1 N5 2.088(3) . ?
P1 F1 1.586(3) . ?
P1 F5 1.598(3) . ?
P1 F2 1.600(3) . ?
P1 F6 1.601(3) . ?
P1 F3 1.602(3) . ?
P1 F4 1.613(3) . ?
P2 F9 1.580(3) . ?
P2 F8 1.585(3) . ?
P2 F10 1.588(2) . ?
P2 F7 1.591(3) . ?
P2 F11 1.599(3) . ?
P2 F12 1.610(3) . ?
O1 C40 1.205(7) . ?
N1 C5 1.350(4) . ?
N1 C1 1.382(4) . ?
N2 C6 1.349(5) . ?
N2 C8 1.358(4) . ?
N3 C6 1.321(5) . ?
N3 C7 1.356(5) . ?
N4 C8 1.322(5) . ?
N4 C7 1.351(5) . ?
N5 C13 1.351(4) . ?
N5 C9 1.370(4) . ?
N6 C24 1.354(5) . ?
N6 C20 1.358(5) . ?
N7 C31 1.392(5) . ?
N7 C20 1.409(5) . ?
N7 C25 1.480(4) . ?
N8 C31 1.342(5) . ?
N8 C27 1.456(5) . ?
N8 C28 1.476(5) . ?
N9 C31 1.309(5) . ?
N9 C30 1.477(4) . ?
N10 C38 1.404(5) . ?
N10 C24 1.414(5) . ?
N10 C32 1.470(4) . ?
N11 C38 1.346(5) . ?
N11 C34 1.469(5) . ?
N11 C35 1.474(5) . ?
N12 C38 1.306(5) . ?
N12 C37 1.463(4) . ?
C1 C2 1.378(5) . ?
C1 C6 1.470(5) . ?
C2 C3 1.394(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.383(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.384(5) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C7 C14 1.479(5) . ?
C8 C9 1.469(5) . ?
C9 C10 1.391(5) . ?
C10 C11 1.386(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.382(6) . ?
C11 H11 0.9500 . ?
C12 C13 1.373(5) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 C19 1.397(5) . ?
C14 C15 1.398(5) . ?
C15 C16 1.391(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.390(6) . ?
C16 H16 0.9500 . ?
C17 C18 1.379(6) . ?
C18 C19 1.386(5) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C21 1.383(5) . ?
C21 C22 1.379(6) . ?
C21 H21 0.9500 . ?
C22 C23 1.380(6) . ?
C22 H22 0.9500 . ?
C23 C24 1.396(5) . ?
C23 H23 0.9500 . ?
C25 C26 1.500(6) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.519(6) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.544(7) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.481(6) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C32 C33 1.529(5) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.508(6) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.510(6) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.528(5) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C39 C40 1.487(7) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C41 1.480(9) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?

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
N2 Ru1 N12 95.11(12) . . ?
N2 Ru1 N6 178.44(12) . . ?
N12 Ru1 N6 86.20(11) . . ?
N2 Ru1 N1 78.67(11) . . ?
N12 Ru1 N1 92.28(11) . . ?
N6 Ru1 N1 102.14(11) . . ?
N2 Ru1 N9 92.53(12) . . ?
N12 Ru1 N9 172.14(11) . . ?
N6 Ru1 N9 86.18(11) . . ?
N1 Ru1 N9 87.42(11) . . ?
N2 Ru1 N5 78.53(11) . . ?
N12 Ru1 N5 91.74(11) . . ?
N6 Ru1 N5 100.61(11) . . ?
N1 Ru1 N5 157.11(11) . . ?
N9 Ru1 N5 91.57(11) . . ?
F1 P1 F5 91.43(18) . . ?
F1 P1 F2 89.91(17) . . ?
F5 P1 F2 178.64(19) . . ?
F1 P1 F6 90.69(16) . . ?
F5 P1 F6 89.93(17) . . ?
F2 P1 F6 89.87(17) . . ?
F1 P1 F3 90.23(16) . . ?
F5 P1 F3 90.16(16) . . ?
F2 P1 F3 90.02(16) . . ?
F6 P1 F3 179.08(16) . . ?
F1 P1 F4 178.76(18) . . ?
F5 P1 F4 89.70(18) . . ?
F2 P1 F4 88.96(17) . . ?
F6 P1 F4 89.81(16) . . ?
F3 P1 F4 89.28(16) . . ?
F9 P2 F8 89.47(18) . . ?
F9 P2 F10 90.10(18) . . ?
F8 P2 F10 89.87(16) . . ?
F9 P2 F7 90.13(19) . . ?
F8 P2 F7 90.72(17) . . ?
F10 P2 F7 179.37(18) . . ?
F9 P2 F11 92.1(2) . . ?
F8 P2 F11 178.35(18) . . ?
F10 P2 F11 89.52(16) . . ?
F7 P2 F11 89.88(17) . . ?
F9 P2 F12 179.3(2) . . ?
F8 P2 F12 89.84(15) . . ?
F10 P2 F12 89.89(16) . . ?
F7 P2 F12 89.88(17) . . ?
F11 P2 F12 88.63(18) . . ?
C5 N1 C1 117.1(3) . . ?
C5 N1 Ru1 129.6(2) . . ?
C1 N1 Ru1 113.0(2) . . ?
C6 N2 C8 117.4(3) . . ?
C6 N2 Ru1 121.0(2) . . ?
C8 N2 Ru1 121.5(2) . . ?
C6 N3 C7 115.1(3) . . ?
C8 N4 C7 115.3(3) . . ?
C13 N5 C9 116.9(3) . . ?
C13 N5 Ru1 129.7(2) . . ?
C9 N5 Ru1 113.4(2) . . ?
C24 N6 C20 119.0(3) . . ?
C24 N6 Ru1 121.1(2) . . ?
C20 N6 Ru1 119.7(2) . . ?
C31 N7 C20 122.7(3) . . ?
C31 N7 C25 117.4(3) . . ?
C20 N7 C25 117.6(3) . . ?
C31 N8 C27 126.1(3) . . ?
C31 N8 C28 118.3(3) . . ?
C27 N8 C28 114.9(3) . . ?
C31 N9 C30 119.5(3) . . ?
C31 N9 Ru1 119.5(2) . . ?
C30 N9 Ru1 119.4(2) . . ?
C38 N10 C24 123.2(3) . . ?
C38 N10 C32 114.5(3) . . ?
C24 N10 C32 118.1(3) . . ?
C38 N11 C34 126.4(3) . . ?
C38 N11 C35 120.9(3) . . ?
C34 N11 C35 112.6(3) . . ?
C38 N12 C37 115.7(3) . . ?
C38 N12 Ru1 121.4(2) . . ?
C37 N12 Ru1 122.7(2) . . ?
C2 C1 N1 122.6(3) . . ?
C2 C1 C6 123.7(3) . . ?
N1 C1 C6 113.7(3) . . ?
C1 C2 C3 118.9(3) . . ?
C1 C2 H2 120.6 . . ?
C3 C2 H2 120.6 . . ?
C4 C3 C2 118.8(3) . . ?
C4 C3 H3 120.6 . . ?
C2 C3 H3 120.6 . . ?
C3 C4 C5 119.7(3) . . ?
C3 C4 H4 120.2 . . ?
C5 C4 H4 120.2 . . ?
N1 C5 C4 122.5(3) . . ?
N1 C5 H5 118.7 . . ?
C4 C5 H5 118.7 . . ?
N3 C6 N2 123.4(3) . . ?
N3 C6 C1 124.3(3) . . ?
N2 C6 C1 112.2(3) . . ?
N4 C7 N3 125.3(3) . . ?
N4 C7 C14 117.9(3) . . ?
N3 C7 C14 116.7(3) . . ?
N4 C8 N2 123.0(3) . . ?
N4 C8 C9 125.3(3) . . ?
N2 C8 C9 111.6(3) . . ?
N5 C9 C10 122.8(3) . . ?
N5 C9 C8 114.8(3) . . ?
C10 C9 C8 122.3(3) . . ?
C11 C10 C9 118.7(3) . . ?
C11 C10 H10 120.7 . . ?
C9 C10 H10 120.7 . . ?
C10 C11 C12 118.8(3) . . ?
C10 C11 H11 120.6 . . ?
C12 C11 H11 120.6 . . ?
C13 C12 C11 119.9(3) . . ?
C13 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
N5 C13 C12 123.0(3) . . ?
N5 C13 H13 118.5 . . ?
C12 C13 H13 118.5 . . ?
C19 C14 C15 119.9(3) . . ?
C19 C14 C7 119.6(3) . . ?
C15 C14 C7 120.3(3) . . ?
C16 C15 C14 120.3(4) . . ?
C16 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C17 C16 C15 118.4(4) . . ?
C17 C16 H16 120.8 . . ?
C15 C16 H16 120.8 . . ?
C18 C17 C16 122.0(3) . . ?
C18 C17 Br1 119.7(3) . . ?
C16 C17 Br1 118.3(3) . . ?
C17 C18 C19 119.4(4) . . ?
C17 C18 H18 120.3 . . ?
C19 C18 H18 120.3 . . ?
C18 C19 C14 119.9(4) . . ?
C18 C19 H19 120.1 . . ?
C14 C19 H19 120.1 . . ?
N6 C20 C21 121.9(3) . . ?
N6 C20 N7 118.3(3) . . ?
C21 C20 N7 119.8(3) . . ?
C22 C21 C20 118.8(4) . . ?
C22 C21 H21 120.6 . . ?
C20 C21 H21 120.6 . . ?
C21 C22 C23 120.2(3) . . ?
C21 C22 H22 119.9 . . ?
C23 C22 H22 119.9 . . ?
C22 C23 C24 118.7(3) . . ?
C22 C23 H23 120.6 . . ?
C24 C23 H23 120.6 . . ?
N6 C24 C23 121.4(3) . . ?
N6 C24 N10 117.9(3) . . ?
C23 C24 N10 120.6(3) . . ?
N7 C25 C26 110.4(3) . . ?
N7 C25 H25A 109.6 . . ?
C26 C25 H25A 109.6 . . ?
N7 C25 H25B 109.6 . . ?
C26 C25 H25B 109.6 . . ?
H25A C25 H25B 108.1 . . ?
C25 C26 C27 107.0(3) . . ?
C25 C26 H26A 110.3 . . ?
C27 C26 H26A 110.3 . . ?
C25 C26 H26B 110.3 . . ?
C27 C26 H26B 110.3 . . ?
H26A C26 H26B 108.6 . . ?
N8 C27 C26 113.0(4) . . ?
N8 C27 H27A 109.0 . . ?
C26 C27 H27A 109.0 . . ?
N8 C27 H27B 109.0 . . ?
C26 C27 H27B 109.0 . . ?
H27A C27 H27B 107.8 . . ?
N8 C28 C29 107.9(3) . . ?
N8 C28 H28A 110.1 . . ?
C29 C28 H28A 110.1 . . ?
N8 C28 H28B 110.1 . . ?
C29 C28 H28B 110.1 . . ?
H28A C28 H28B 108.4 . . ?
C30 C29 C28 108.2(4) . . ?
C30 C29 H29A 110.1 . . ?
C28 C29 H29A 110.1 . . ?
C30 C29 H29B 110.1 . . ?
C28 C29 H29B 110.1 . . ?
H29A C29 H29B 108.4 . . ?
N9 C30 C29 115.2(3) . . ?
N9 C30 H30A 108.5 . . ?
C29 C30 H30A 108.5 . . ?
N9 C30 H30B 108.5 . . ?
C29 C30 H30B 108.5 . . ?
H30A C30 H30B 107.5 . . ?
N9 C31 N8 124.3(3) . . ?
N9 C31 N7 118.2(3) . . ?
N8 C31 N7 117.4(3) . . ?
N10 C32 C33 108.0(3) . . ?
N10 C32 H32A 110.1 . . ?
C33 C32 H32A 110.1 . . ?
N10 C32 H32B 110.1 . . ?
C33 C32 H32B 110.1 . . ?
H32A C32 H32B 108.4 . . ?
C34 C33 C32 106.9(3) . . ?
C34 C33 H33A 110.3 . . ?
C32 C33 H33A 110.3 . . ?
C34 C33 H33B 110.3 . . ?
C32 C33 H33B 110.3 . . ?
H33A C33 H33B 108.6 . . ?
N11 C34 C33 112.5(3) . . ?
N11 C34 H34A 109.1 . . ?
C33 C34 H34A 109.1 . . ?
N11 C34 H34B 109.1 . . ?
C33 C34 H34B 109.1 . . ?
H34A C34 H34B 107.8 . . ?
N11 C35 C36 111.9(3) . . ?
N11 C35 H35A 109.2 . . ?
C36 C35 H35A 109.2 . . ?
N11 C35 H35B 109.2 . . ?
C36 C35 H35B 109.2 . . ?
H35A C35 H35B 107.9 . . ?
C35 C36 C37 108.2(3) . . ?
C35 C36 H36A 110.1 . . ?
C37 C36 H36A 110.1 . . ?
C35 C36 H36B 110.1 . . ?
C37 C36 H36B 110.1 . . ?
H36A C36 H36B 108.4 . . ?
N12 C37 C36 108.3(3) . . ?
N12 C37 H37A 110.0 . . ?
C36 C37 H37A 110.0 . . ?
N12 C37 H37B 110.0 . . ?
C36 C37 H37B 110.0 . . ?
H37A C37 H37B 108.4 . . ?
N12 C38 N11 124.1(3) . . ?
N12 C38 N10 119.4(3) . . ?
N11 C38 N10 116.4(3) . . ?
C40 C39 H39A 109.5 . . ?
C40 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C40 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
O1 C40 C41 121.6(6) . . ?
O1 C40 C39 120.6(5) . . ?
C41 C40 C39 117.8(6) . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag








N2 Ru1 N1 C5 -176.1(3) . . . . ?
N12 Ru1 N1 C5 -81.3(3) . . . . ?
N6 Ru1 N1 C5 5.3(3) . . . . ?
N9 Ru1 N1 C5 90.8(3) . . . . ?
N5 Ru1 N1 C5 178.7(3) . . . . ?
N2 Ru1 N1 C1 10.6(2) . . . . ?
N12 Ru1 N1 C1 105.3(2) . . . . ?
N6 Ru1 N1 C1 -168.1(2) . . . . ?
N9 Ru1 N1 C1 -82.5(2) . . . . ?
N5 Ru1 N1 C1 5.4(4) . . . . ?
N12 Ru1 N2 C6 -98.0(3) . . . . ?
N1 Ru1 N2 C6 -6.7(3) . . . . ?
N9 Ru1 N2 C6 80.2(3) . . . . ?
N5 Ru1 N2 C6 171.3(3) . . . . ?
N12 Ru1 N2 C8 86.3(3) . . . . ?
N1 Ru1 N2 C8 177.6(3) . . . . ?
N9 Ru1 N2 C8 -95.6(3) . . . . ?
N5 Ru1 N2 C8 -4.5(3) . . . . ?
N2 Ru1 N5 C13 -173.0(3) . . . . ?
N12 Ru1 N5 C13 92.2(3) . . . . ?
N6 Ru1 N5 C13 5.7(3) . . . . ?
N1 Ru1 N5 C13 -167.8(3) . . . . ?
N9 Ru1 N5 C13 -80.7(3) . . . . ?
N2 Ru1 N5 C9 4.2(2) . . . . ?
N12 Ru1 N5 C9 -90.7(2) . . . . ?
N6 Ru1 N5 C9 -177.2(2) . . . . ?
N1 Ru1 N5 C9 9.4(4) . . . . ?
N9 Ru1 N5 C9 96.4(2) . . . . ?
N12 Ru1 N6 C24 -36.9(3) . . . . ?
N1 Ru1 N6 C24 -128.4(3) . . . . ?
N9 Ru1 N6 C24 145.1(3) . . . . ?
N5 Ru1 N6 C24 54.2(3) . . . . ?
N12 Ru1 N6 C20 148.1(3) . . . . ?
N1 Ru1 N6 C20 56.6(3) . . . . ?
N9 Ru1 N6 C20 -30.0(3) . . . . ?
N5 Ru1 N6 C20 -120.9(3) . . . . ?
N2 Ru1 N9 C31 -132.8(3) . . . . ?
N6 Ru1 N9 C31 48.1(3) . . . . ?
N1 Ru1 N9 C31 -54.3(3) . . . . ?
N5 Ru1 N9 C31 148.6(3) . . . . ?
N2 Ru1 N9 C30 32.6(3) . . . . ?
N6 Ru1 N9 C30 -146.5(3) . . . . ?
N1 Ru1 N9 C30 111.2(3) . . . . ?
N5 Ru1 N9 C30 -46.0(3) . . . . ?
N2 Ru1 N12 C38 -137.8(3) . . . . ?
N6 Ru1 N12 C38 41.3(3) . . . . ?
N1 Ru1 N12 C38 143.3(3) . . . . ?
N5 Ru1 N12 C38 -59.2(3) . . . . ?
N2 Ru1 N12 C37 37.0(3) . . . . ?
N6 Ru1 N12 C37 -143.8(3) . . . . ?
N1 Ru1 N12 C37 -41.8(3) . . . . ?
N5 Ru1 N12 C37 115.6(3) . . . . ?
C5 N1 C1 C2 -6.4(5) . . . . ?
Ru1 N1 C1 C2 167.8(3) . . . . ?
C5 N1 C1 C6 173.0(3) . . . . ?
Ru1 N1 C1 C6 -12.8(4) . . . . ?
N1 C1 C2 C3 0.7(6) . . . . ?
C6 C1 C2 C3 -178.6(4) . . . . ?
C1 C2 C3 C4 4.2(6) . . . . ?
C2 C3 C4 C5 -3.3(6) . . . . ?
C1 N1 C5 C4 7.4(5) . . . . ?
Ru1 N1 C5 C4 -165.7(3) . . . . ?
C3 C4 C5 N1 -2.7(6) . . . . ?
C7 N3 C6 N2 -1.1(5) . . . . ?
C7 N3 C6 C1 176.9(3) . . . . ?
C8 N2 C6 N3 -4.2(5) . . . . ?
Ru1 N2 C6 N3 179.9(3) . . . . ?
C8 N2 C6 C1 177.5(3) . . . . ?
Ru1 N2 C6 C1 1.6(4) . . . . ?
C2 C1 C6 N3 8.9(6) . . . . ?
N1 C1 C6 N3 -170.5(3) . . . . ?
C2 C1 C6 N2 -172.8(3) . . . . ?
N1 C1 C6 N2 7.8(4) . . . . ?
C8 N4 C7 N3 -4.9(5) . . . . ?
C8 N4 C7 C14 172.2(3) . . . . ?
C6 N3 C7 N4 6.0(5) . . . . ?
C6 N3 C7 C14 -171.1(3) . . . . ?
C7 N4 C8 N2 -1.1(5) . . . . ?
C7 N4 C8 C9 176.0(3) . . . . ?
C6 N2 C8 N4 5.4(5) . . . . ?
Ru1 N2 C8 N4 -178.7(3) . . . . ?
C6 N2 C8 C9 -172.1(3) . . . . ?
Ru1 N2 C8 C9 3.8(4) . . . . ?
C13 N5 C9 C10 -2.0(5) . . . . ?
Ru1 N5 C9 C10 -179.6(3) . . . . ?
C13 N5 C9 C8 174.1(3) . . . . ?
Ru1 N5 C9 C8 -3.5(4) . . . . ?
N4 C8 C9 N5 -177.3(3) . . . . ?
N2 C8 C9 N5 0.1(4) . . . . ?
N4 C8 C9 C10 -1.2(6) . . . . ?
N2 C8 C9 C10 176.2(3) . . . . ?
N5 C9 C10 C11 1.1(6) . . . . ?
C8 C9 C10 C11 -174.7(3) . . . . ?
C9 C10 C11 C12 0.8(6) . . . . ?
C10 C11 C12 C13 -1.7(6) . . . . ?
C9 N5 C13 C12 1.1(5) . . . . ?
Ru1 N5 C13 C12 178.1(3) . . . . ?
C11 C12 C13 N5 0.8(6) . . . . ?
N4 C7 C14 C19 -3.2(5) . . . . ?
N3 C7 C14 C19 174.2(3) . . . . ?
N4 C7 C14 C15 -177.1(4) . . . . ?
N3 C7 C14 C15 0.3(5) . . . . ?
C19 C14 C15 C16 -1.4(6) . . . . ?
C7 C14 C15 C16 172.5(4) . . . . ?
C14 C15 C16 C17 0.1(6) . . . . ?
C15 C16 C17 C18 1.7(6) . . . . ?
C15 C16 C17 Br1 -178.0(3) . . . . ?
C16 C17 C18 C19 -2.0(6) . . . . ?
Br1 C17 C18 C19 177.7(3) . . . . ?
C17 C18 C19 C14 0.5(6) . . . . ?
C15 C14 C19 C18 1.1(6) . . . . ?
C7 C14 C19 C18 -172.8(4) . . . . ?
C24 N6 C20 C21 -3.4(5) . . . . ?
Ru1 N6 C20 C21 171.7(3) . . . . ?
C24 N6 C20 N7 175.3(3) . . . . ?
Ru1 N6 C20 N7 -9.6(4) . . . . ?
C31 N7 C20 N6 57.0(5) . . . . ?
C25 N7 C20 N6 -140.7(3) . . . . ?
C31 N7 C20 C21 -124.3(4) . . . . ?
C25 N7 C20 C21 38.0(5) . . . . ?
N6 C20 C21 C22 2.6(5) . . . . ?
N7 C20 C21 C22 -176.1(3) . . . . ?
C20 C21 C22 C23 -0.3(6) . . . . ?
C21 C22 C23 C24 -1.0(6) . . . . ?
C20 N6 C24 C23 2.0(5) . . . . ?
Ru1 N6 C24 C23 -173.1(3) . . . . ?
C20 N6 C24 N10 179.1(3) . . . . ?
Ru1 N6 C24 N10 4.0(4) . . . . ?
C22 C23 C24 N6 0.2(5) . . . . ?
C22 C23 C24 N10 -176.8(3) . . . . ?
C38 N10 C24 N6 47.2(4) . . . . ?
C32 N10 C24 N6 -156.9(3) . . . . ?
C38 N10 C24 C23 -135.7(3) . . . . ?
C32 N10 C24 C23 20.2(5) . . . . ?
C31 N7 C25 C26 49.8(4) . . . . ?
C20 N7 C25 C26 -113.4(4) . . . . ?
N7 C25 C26 C27 -60.0(5) . . . . ?
C31 N8 C27 C26 -14.4(7) . . . . ?
C28 N8 C27 C26 175.0(4) . . . . ?
C25 C26 C27 N8 42.9(5) . . . . ?
C31 N8 C28 C29 42.2(5) . . . . ?
C27 N8 C28 C29 -146.5(4) . . . . ?
N8 C28 C29 C30 -57.7(5) . . . . ?
C31 N9 C30 C29 -9.9(5) . . . . ?
Ru1 N9 C30 C29 -175.4(3) . . . . ?
C28 C29 C30 N9 43.3(5) . . . . ?
C30 N9 C31 N8 -10.4(5) . . . . ?
Ru1 N9 C31 N8 155.1(3) . . . . ?
C30 N9 C31 N7 171.2(3) . . . . ?
Ru1 N9 C31 N7 -23.4(4) . . . . ?
C27 N8 C31 N9 -178.1(4) . . . . ?
C28 N8 C31 N9 -7.8(6) . . . . ?
C27 N8 C31 N7 0.4(6) . . . . ?
C28 N8 C31 N7 170.7(4) . . . . ?
C20 N7 C31 N9 -37.4(5) . . . . ?
C25 N7 C31 N9 160.3(3) . . . . ?
C20 N7 C31 N8 144.0(4) . . . . ?
C25 N7 C31 N8 -18.3(5) . . . . ?
C38 N10 C32 C33 58.8(4) . . . . ?
C24 N10 C32 C33 -99.2(4) . . . . ?
N10 C32 C33 C34 -64.7(4) . . . . ?
C38 N11 C34 C33 5.5(5) . . . . ?
C35 N11 C34 C33 -171.2(3) . . . . ?
C32 C33 C34 N11 33.9(5) . . . . ?
C38 N11 C35 C36 -1.1(5) . . . . ?
C34 N11 C35 C36 175.8(3) . . . . ?
N11 C35 C36 C37 39.1(4) . . . . ?
C38 N12 C37 C36 48.1(4) . . . . ?
Ru1 N12 C37 C36 -127.0(3) . . . . ?
C35 C36 C37 N12 -62.4(4) . . . . ?
C37 N12 C38 N11 -8.3(5) . . . . ?
Ru1 N12 C38 N11 166.9(3) . . . . ?
C37 N12 C38 N10 173.2(3) . . . . ?
Ru1 N12 C38 N10 -11.6(4) . . . . ?
C34 N11 C38 N12 166.4(3) . . . . ?
C35 N11 C38 N12 -17.2(5) . . . . ?
C34 N11 C38 N10 -15.1(5) . . . . ?
C35 N11 C38 N10 161.3(3) . . . . ?
C24 N10 C38 N12 -43.4(5) . . . . ?
C32 N10 C38 N12 159.9(3) . . . . ?
C24 N10 C38 N11 138.1(3) . . . . ?
C32 N10 C38 N11 -18.6(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        71.40
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         1.220
_refine_diff_density_min         -0.664
_refine_diff_density_rms         0.117
_database_code_depnum_ccdc_archive 'CCDC 988219'
#######################################################################
#
#                 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_amln71

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C42 H48 N12 Ru, 2(F6 P)'
_chemical_formula_sum            'C58 H98 F12 N12 O9 P2 Ru'
_chemical_formula_weight         1111.93

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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c
_symmetry_space_group_name_Hall  -P2ybc

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

_cell_length_a                   9.6046(4)
_cell_length_b                   32.8531(14)
_cell_length_c                   17.3497(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 94.903(2)
_cell_angle_gamma                90.00
_cell_volume                     5454.5(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9792
_cell_measurement_theta_min      3.71
_cell_measurement_theta_max      69.36

_exptl_crystal_description       plate
_exptl_crystal_colour            purple
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.03
_exptl_crystal_density_meas      1.354
_exptl_crystal_density_diffrn    1.354
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2264
_exptl_absorpt_coefficient_mu    3.602
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4913
_exptl_absorpt_correction_T_max  0.8996
_exptl_absorpt_process_details   Bruker(Bruker-AXS)

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            217905
_diffrn_reflns_av_R_equivalents  0.0425
_diffrn_reflns_av_sigmaI/netI    0.0152
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         3.71
_diffrn_reflns_theta_max         69.71
_reflns_number_total             10234
_reflns_number_gt                9987
_reflns_threshold_expression     >2sigma(I)

_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    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.500 619 133 ' '
2 0.000 0.500 1.000 619 133 ' '
_platon_squeeze_details          
;
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0682P)²+2.9516P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         10234
_refine_ls_number_parameters     643
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0407
_refine_ls_R_factor_gt           0.0402
_refine_ls_wR_factor_ref         0.1129
_refine_ls_wR_factor_gt          0.1124
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.002
_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 0.306718(17) 0.170034(5) 0.550027(9) 0.04128(8) Uani 1 1 d . . .
P1 P 0.69813(10) 0.31572(3) 0.73426(5) 0.0738(2) Uani 1 1 d . . .
P2 P 0.71137(8) 0.06006(2) 0.66835(4) 0.06059(18) Uani 1 1 d . . .
F1 F 0.5694(3) 0.30897(8) 0.78406(17) 0.1143(8) Uani 1 1 d . . .
F2 F 0.6280(2) 0.35491(6) 0.69489(13) 0.0950(6) Uani 1 1 d . . .
F3 F 0.7664(3) 0.34360(7) 0.80261(12) 0.0961(6) Uani 1 1 d . . .
F4 F 0.8351(3) 0.32433(8) 0.68910(15) 0.1074(8) Uani 1 1 d . . .
F5A F 0.7879(9) 0.2783(4) 0.7768(7) 0.0855(18) Uani 0.64 1 d P . .
F5B F 0.7337(17) 0.2732(6) 0.7699(12) 0.108(5) Uani 0.36 1 d P . .
F6 F 0.6436(4) 0.28797(8) 0.66526(15) 0.1377(11) Uani 1 1 d . . .
F7 F 0.6317(2) 0.10259(5) 0.66045(11) 0.0756(5) Uani 1 1 d . . .
F8 F 0.5925(3) 0.04196(7) 0.71500(14) 0.1058(7) Uani 1 1 d . . .
F9 F 0.7920(3) 0.07541(7) 0.74637(12) 0.1016(7) Uani 1 1 d . . .
F10 F 0.7923(3) 0.01762(6) 0.67522(15) 0.1005(7) Uani 1 1 d . . .
F11 F 0.8326(2) 0.07807(6) 0.62162(13) 0.0875(6) Uani 1 1 d . . .
F12 F 0.6302(2) 0.04588(6) 0.58879(11) 0.0853(5) Uani 1 1 d . . .
N1 N 0.5024(2) 0.18443(6) 0.51333(11) 0.0467(4) Uani 1 1 d . . .
N2 N 0.30203(18) 0.22875(7) 0.54946(10) 0.0446(4) Uani 1 1 d . . .
N5 N 0.1096(2) 0.18183(6) 0.59005(11) 0.0440(4) Uani 1 1 d . . .
N6 N 0.3889(2) 0.16536(6) 0.66445(12) 0.0468(4) Uani 1 1 d . B .
N7 N 0.3697(3) 0.13786(7) 0.78729(12) 0.0595(5) Uani 1 1 d . B .
N8 N 0.2616(2) 0.10556(6) 0.67916(11) 0.0504(4) Uani 1 1 d . B .
N9 N 0.31363(19) 0.10659(6) 0.54843(10) 0.0456(4) Uani 1 1 d . . .
N10 N 0.3725(2) 0.11020(6) 0.41836(11) 0.0494(4) Uani 1 1 d . . .
N11 N 0.2627(2) 0.14300(7) 0.31067(12) 0.0584(5) Uani 1 1 d . . .
N12 N 0.2234(2) 0.16478(6) 0.43525(12) 0.0469(4) Uani 1 1 d . . .
C1 C 0.5213(2) 0.22530(8) 0.50065(13) 0.0486(5) Uani 1 1 d . . .
C2 C 0.6404(3) 0.24098(9) 0.47272(15) 0.0592(6) Uani 1 1 d . . .
H2 H 0.6501 0.2694 0.4651 0.071 Uiso 1 1 calc R . .
C3 C 0.7456(3) 0.21442(10) 0.45601(17) 0.0653(7) Uani 1 1 d . . .
H3 H 0.8269 0.2241 0.4344 0.078 Uiso 1 1 calc R . .
C4 C 0.7298(3) 0.17339(9) 0.47154(17) 0.0605(7) Uani 1 1 d . . .
H4 H 0.8024 0.1548 0.4623 0.073 Uiso 1 1 calc R . .
C5 C 0.6095(3) 0.15940(9) 0.50026(14) 0.0527(5) Uani 1 1 d . . .
H5 H 0.6015 0.1312 0.5113 0.063 Uiso 1 1 calc R . .
C6 C 0.4069(2) 0.25104(7) 0.52264(13) 0.0468(5) Uani 1 1 d . . .
N3 N 0.4056(2) 0.29134(6) 0.51995(11) 0.0491(4) Uani 1 1 d . . .
C7 C 0.2938(3) 0.30940(8) 0.54748(13) 0.0502(6) Uani 1 1 d . . .
N4 N 0.1853(2) 0.28952(6) 0.57516(12) 0.0488(4) Uani 1 1 d . . .
C8 C 0.1930(2) 0.24945(7) 0.57461(13) 0.0457(5) Uani 1 1 d . . .
C9 C 0.0856(2) 0.22249(7) 0.60046(13) 0.0456(5) Uani 1 1 d . . .
C10 C -0.0306(3) 0.23744(8) 0.63310(15) 0.0525(5) Uani 1 1 d . . .
H10 H -0.0429 0.2659 0.6392 0.063 Uiso 1 1 calc R . .
C11 C -0.1282(3) 0.21045(8) 0.65660(17) 0.0598(6) Uani 1 1 d . . .
H11 H -0.2079 0.2199 0.6802 0.072 Uiso 1 1 calc R . .
C12 C -0.1072(3) 0.16912(8) 0.64502(17) 0.0568(6) Uani 1 1 d . . .
H12 H -0.1737 0.1499 0.6601 0.068 Uiso 1 1 calc R . .
C13 C 0.0105(3) 0.15601(8) 0.61151(14) 0.0480(5) Uani 1 1 d . . .
H13 H 0.0221 0.1277 0.6033 0.058 Uiso 1 1 calc R . .
C14 C 0.2872(3) 0.35418(8) 0.54996(14) 0.0532(6) Uani 1 1 d . . .
C15 C 0.4076(3) 0.37766(8) 0.55433(15) 0.0580(6) Uani 1 1 d . . .
H15 H 0.4958 0.3649 0.5517 0.070 Uiso 1 1 calc R . .
C16 C 0.4010(3) 0.41962(8) 0.56244(16) 0.0615(7) Uani 1 1 d . . .
H16 H 0.4851 0.4350 0.5666 0.074 Uiso 1 1 calc R . .
C17 C 0.2732(3) 0.43964(8) 0.56466(15) 0.0595(6) Uani 1 1 d . . .
C18 C 0.1535(3) 0.41562(9) 0.5572(2) 0.0709(8) Uani 1 1 d . . .
H18 H 0.0646 0.4284 0.5562 0.085 Uiso 1 1 calc R . .
C19 C 0.1599(3) 0.37385(8) 0.55118(19) 0.0667(7) Uani 1 1 d . . .
H19 H 0.0761 0.3584 0.5478 0.080 Uiso 1 1 calc R . .
C20 C 0.2617(4) 0.48585(8) 0.57345(17) 0.0647(7) Uani 1 1 d . . .
C21 C 0.4006(4) 0.50542(9) 0.6023(2) 0.0776(9) Uani 1 1 d . . .
H21A H 0.4707 0.4994 0.5661 0.116 Uiso 1 1 calc R . .
H21B H 0.4317 0.4945 0.6535 0.116 Uiso 1 1 calc R . .
H21C H 0.3885 0.5350 0.6060 0.116 Uiso 1 1 calc R . .
C22 C 0.2121(4) 0.50327(9) 0.49392(19) 0.0787(9) Uani 1 1 d . . .
H22A H 0.1954 0.5326 0.4986 0.118 Uiso 1 1 calc R . .
H22B H 0.1253 0.4897 0.4743 0.118 Uiso 1 1 calc R . .
H22C H 0.2840 0.4987 0.4580 0.118 Uiso 1 1 calc R . .
C23 C 0.1551(4) 0.49616(10) 0.63155(19) 0.0785(9) Uani 1 1 d . . .
H23A H 0.1470 0.5258 0.6360 0.118 Uiso 1 1 calc R . .
H23B H 0.1863 0.4846 0.6822 0.118 Uiso 1 1 calc R . .
H23C H 0.0640 0.4847 0.6135 0.118 Uiso 1 1 calc R . .
C24 C 0.1152(3) 0.19162(8) 0.39947(15) 0.0547(6) Uani 1 1 d . . .
H24A H 0.0910 0.2126 0.4370 0.066 Uiso 1 1 calc R . .
H24B H 0.0300 0.1757 0.3837 0.066 Uiso 1 1 calc R . .
C25 C 0.1696(4) 0.21177(10) 0.32912(18) 0.0733(8) Uani 1 1 d . . .
H25A H 0.0993 0.2311 0.3054 0.088 Uiso 1 1 calc R . .
H25B H 0.2563 0.2271 0.3446 0.088 Uiso 1 1 calc R . .
C26 C 0.1987(4) 0.17899(11) 0.27193(18) 0.0769(9) Uani 1 1 d . . .
H26A H 0.1101 0.1710 0.2424 0.092 Uiso 1 1 calc R . .
H26B H 0.2621 0.1898 0.2348 0.092 Uiso 1 1 calc R . .
C27 C 0.3091(3) 0.11299(10) 0.25513(16) 0.0694(8) Uani 1 1 d . . .
H27A H 0.3732 0.1265 0.2214 0.083 Uiso 1 1 calc R . .
H27B H 0.2268 0.1033 0.2219 0.083 Uiso 1 1 calc R . .
C28 C 0.3822(3) 0.07694(10) 0.29367(16) 0.0687(7) Uani 1 1 d . . .
H28A H 0.4438 0.0638 0.2580 0.082 Uiso 1 1 calc R . .
H28B H 0.3130 0.0566 0.3083 0.082 Uiso 1 1 calc R . .
C29 C 0.4675(3) 0.09242(9) 0.36492(16) 0.0602(6) Uani 1 1 d . . .
H29A H 0.5211 0.0697 0.3906 0.072 Uiso 1 1 calc R . .
H29B H 0.5346 0.1133 0.3501 0.072 Uiso 1 1 calc R . .
C30 C 0.2823(3) 0.14053(8) 0.38790(13) 0.0487(5) Uani 1 1 d . . .
C31 C 0.3399(3) 0.08669(7) 0.48257(14) 0.0488(5) Uani 1 1 d . . .
C32 C 0.3377(3) 0.04455(8) 0.47767(16) 0.0580(6) Uani 1 1 d . . .
H32 H 0.3547 0.0312 0.4308 0.070 Uiso 1 1 calc R . .
C33 C 0.3105(3) 0.02229(9) 0.54222(17) 0.0641(7) Uani 1 1 d . . .
H33 H 0.3075 -0.0066 0.5400 0.077 Uiso 1 1 calc R . .
C34 C 0.2879(3) 0.04212(8) 0.60959(16) 0.0604(6) Uani 1 1 d . . .
H34 H 0.2715 0.0271 0.6547 0.072 Uiso 1 1 calc R . .
C35 C 0.2894(3) 0.08437(7) 0.61125(14) 0.0500(5) Uani 1 1 d . . .
C36 C 0.1796(3) 0.08475(9) 0.73480(16) 0.0625(7) Uani 1 1 d . . .
H36A H 0.1252 0.0624 0.7087 0.075 Uiso 1 1 calc R . .
H36B H 0.1132 0.1041 0.7555 0.075 Uiso 1 1 calc R . .
C37 C 0.2761(4) 0.06782(10) 0.80034(17) 0.0738(8) Uani 1 1 d . . .
H37A H 0.2209 0.0546 0.8390 0.089 Uiso 1 1 calc R . .
H37B H 0.3390 0.0472 0.7803 0.089 Uiso 1 1 calc R . .
C38 C 0.3604(4) 0.10226(10) 0.83735(17) 0.0753(8) Uani 1 1 d . . .
H38A H 0.3181 0.1107 0.8849 0.090 Uiso 1 1 calc R . .
H38B H 0.4560 0.0923 0.8528 0.090 Uiso 1 1 calc R . .
C39 C 0.4356(4) 0.17371(10) 0.82624(17) 0.0738(9) Uani 1 1 d . . .
H39A H 0.3800 0.1818 0.8692 0.089 Uiso 1 1 calc R A 1
H39B H 0.5301 0.1661 0.8489 0.089 Uiso 1 1 calc R A 1
C40A C 0.4476(5) 0.20869(14) 0.7748(2) 0.0567(10) Uani 0.60 1 d P B 1
H40A H 0.5168 0.2282 0.7988 0.068 Uiso 0.60 1 calc PR B 1
H40B H 0.3563 0.2227 0.7666 0.068 Uiso 0.60 1 calc PR B 1
C40B C 0.5477(9) 0.1867(3) 0.7775(4) 0.074(2) Uani 0.40 1 d P B 2
H40C H 0.5922 0.2118 0.7995 0.089 Uiso 0.40 1 calc PR B 2
H40D H 0.6201 0.1653 0.7782 0.089 Uiso 0.40 1 calc PR B 2
C41 C 0.4931(3) 0.19439(8) 0.69823(14) 0.0522(5) Uani 1 1 d . . .
H41A H 0.5006 0.2178 0.6630 0.063 Uiso 1 1 calc R B 1
H41B H 0.5858 0.1811 0.7060 0.063 Uiso 1 1 calc R B 1
C42 C 0.3456(3) 0.13748(7) 0.70960(13) 0.0487(5) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 N2 1.930(2) . ?
Ru1 N6 2.078(2) . ?
Ru1 N9 2.086(2) . ?
Ru1 N12 2.089(2) . ?
Ru1 N1 2.090(2) . ?
Ru1 N5 2.107(2) . ?
P1 F5B 1.55(2) . ?
P1 F6 1.559(2) . ?
P1 F2 1.581(2) . ?
P1 F1 1.584(3) . ?
P1 F3 1.594(2) . ?
P1 F4 1.613(3) . ?
P1 F5A 1.640(11) . ?
P2 F8 1.571(2) . ?
P2 F9 1.583(2) . ?
P2 F11 1.589(2) . ?
P2 F7 1.5933(18) . ?
P2 F12 1.5956(19) . ?
P2 F10 1.596(2) . ?
F5A F5B 0.55(2) . ?
N1 C5 1.351(3) . ?
N1 C1 1.375(3) . ?
N2 C8 1.352(3) . ?
N2 C6 1.359(3) . ?
N5 C13 1.351(3) . ?
N5 C9 1.370(3) . ?
N6 C42 1.297(3) . ?
N6 C41 1.468(3) . ?
N7 C42 1.348(3) . ?
N7 C38 1.464(4) . ?
N7 C39 1.473(4) . ?
N8 C42 1.399(3) . ?
N8 C35 1.413(3) . ?
N8 C36 1.466(3) . ?
N9 C35 1.348(3) . ?
N9 C31 1.358(3) . ?
N10 C30 1.394(3) . ?
N10 C31 1.413(3) . ?
N10 C29 1.476(3) . ?
N11 C30 1.340(3) . ?
N11 C26 1.469(4) . ?
N11 C27 1.474(4) . ?
N12 C30 1.308(3) . ?
N12 C24 1.460(3) . ?
C1 C2 1.380(4) . ?
C1 C6 1.463(3) . ?
C2 C3 1.384(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.386(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.376(4) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 N3 1.325(3) . ?
N3 C7 1.349(3) . ?
C7 N4 1.352(3) . ?
C7 C14 1.474(4) . ?
N4 C8 1.319(3) . ?
C8 C9 1.459(3) . ?
C9 C10 1.384(3) . ?
C10 C11 1.377(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.390(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.384(4) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 C19 1.384(4) . ?
C14 C15 1.387(4) . ?
C15 C16 1.387(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.397(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.392(4) . ?
C17 C20 1.531(4) . ?
C18 C19 1.378(4) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C21 1.526(4) . ?
C20 C22 1.532(4) . ?
C20 C23 1.535(5) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C25 1.520(4) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.507(5) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.504(5) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.512(4) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C31 C32 1.387(4) . ?
C32 C33 1.381(4) . ?
C32 H32 0.9500 . ?
C33 C34 1.372(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.388(4) . ?
C34 H34 0.9500 . ?
C36 C37 1.510(4) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 C38 1.503(5) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 C40A 1.466(6) . ?
C39 C40B 1.487(9) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40A C41 1.508(5) . ?
C40A H40A 0.9900 . ?
C40A H40B 0.9900 . ?
C40B C41 1.452(8) . ?
C40B H40C 0.9900 . ?
C40B H40D 0.9900 . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?

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
N2 Ru1 N6 94.91(7) . . ?
N2 Ru1 N9 178.80(7) . . ?
N6 Ru1 N9 85.93(7) . . ?
N2 Ru1 N12 94.06(7) . . ?
N6 Ru1 N12 171.02(8) . . ?
N9 Ru1 N12 85.11(7) . . ?
N2 Ru1 N1 78.07(8) . . ?
N6 Ru1 N1 91.70(8) . . ?
N9 Ru1 N1 101.05(8) . . ?
N12 Ru1 N1 90.55(8) . . ?
N2 Ru1 N5 78.27(7) . . ?
N6 Ru1 N5 88.70(8) . . ?
N9 Ru1 N5 102.63(7) . . ?
N12 Ru1 N5 92.72(8) . . ?
N1 Ru1 N5 156.29(9) . . ?
F5B P1 F6 80.1(7) . . ?
F5B P1 F2 167.2(6) . . ?
F6 P1 F2 92.39(14) . . ?
F5B P1 F1 79.2(8) . . ?
F6 P1 F1 96.33(19) . . ?
F2 P1 F1 91.50(13) . . ?
F5B P1 F3 99.1(7) . . ?
F6 P1 F3 175.33(18) . . ?
F2 P1 F3 89.22(13) . . ?
F1 P1 F3 88.00(15) . . ?
F5B P1 F4 101.0(7) . . ?
F6 P1 F4 87.95(18) . . ?
F2 P1 F4 88.98(13) . . ?
F1 P1 F4 175.67(17) . . ?
F3 P1 F4 87.70(15) . . ?
F5B P1 F5A 19.6(8) . . ?
F6 P1 F5A 92.1(4) . . ?
F2 P1 F5A 173.2(4) . . ?
F1 P1 F5A 93.1(5) . . ?
F3 P1 F5A 85.9(4) . . ?
F4 P1 F5A 86.0(5) . . ?
F8 P2 F9 90.21(14) . . ?
F8 P2 F11 179.44(15) . . ?
F9 P2 F11 89.52(13) . . ?
F8 P2 F7 90.67(13) . . ?
F9 P2 F7 89.44(12) . . ?
F11 P2 F7 89.82(10) . . ?
F8 P2 F12 90.72(13) . . ?
F9 P2 F12 178.38(12) . . ?
F11 P2 F12 89.56(12) . . ?
F7 P2 F12 89.22(11) . . ?
F8 P2 F10 90.08(14) . . ?
F9 P2 F10 90.86(13) . . ?
F11 P2 F10 89.43(13) . . ?
F7 P2 F10 179.20(14) . . ?
F12 P2 F10 90.47(12) . . ?
F5B F5A P1 71(3) . . ?
F5A F5B P1 89(4) . . ?
C5 N1 C1 117.1(2) . . ?
C5 N1 Ru1 129.11(18) . . ?
C1 N1 Ru1 113.82(15) . . ?
C8 N2 C6 117.2(2) . . ?
C8 N2 Ru1 121.30(15) . . ?
C6 N2 Ru1 121.53(16) . . ?
C13 N5 C9 116.5(2) . . ?
C13 N5 Ru1 130.50(17) . . ?
C9 N5 Ru1 112.86(15) . . ?
C42 N6 C41 117.4(2) . . ?
C42 N6 Ru1 120.93(17) . . ?
C41 N6 Ru1 121.58(16) . . ?
C42 N7 C38 124.9(2) . . ?
C42 N7 C39 119.8(2) . . ?
C38 N7 C39 114.3(2) . . ?
C42 N8 C35 122.7(2) . . ?
C42 N8 C36 115.2(2) . . ?
C35 N8 C36 118.0(2) . . ?
C35 N9 C31 118.5(2) . . ?
C35 N9 Ru1 121.48(15) . . ?
C31 N9 Ru1 120.04(16) . . ?
C30 N10 C31 121.1(2) . . ?
C30 N10 C29 116.2(2) . . ?
C31 N10 C29 118.0(2) . . ?
C30 N11 C26 121.6(2) . . ?
C30 N11 C27 126.1(2) . . ?
C26 N11 C27 112.2(2) . . ?
C30 N12 C24 115.6(2) . . ?
C30 N12 Ru1 119.88(16) . . ?
C24 N12 Ru1 123.79(16) . . ?
N1 C1 C2 123.0(2) . . ?
N1 C1 C6 114.2(2) . . ?
C2 C1 C6 122.7(2) . . ?
C1 C2 C3 118.7(3) . . ?
C1 C2 H2 120.7 . . ?
C3 C2 H2 120.7 . . ?
C2 C3 C4 118.6(3) . . ?
C2 C3 H3 120.7 . . ?
C4 C3 H3 120.7 . . ?
C5 C4 C3 120.3(3) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
N1 C5 C4 122.2(3) . . ?
N1 C5 H5 118.9 . . ?
C4 C5 H5 118.9 . . ?
N3 C6 N2 123.1(2) . . ?
N3 C6 C1 125.0(2) . . ?
N2 C6 C1 111.9(2) . . ?
C6 N3 C7 115.6(2) . . ?
N3 C7 N4 125.0(2) . . ?
N3 C7 C14 119.1(2) . . ?
N4 C7 C14 115.8(2) . . ?
C8 N4 C7 115.7(2) . . ?
N4 C8 N2 123.4(2) . . ?
N4 C8 C9 124.2(2) . . ?
N2 C8 C9 112.4(2) . . ?
N5 C9 C10 123.4(2) . . ?
N5 C9 C8 114.8(2) . . ?
C10 C9 C8 121.8(2) . . ?
C11 C10 C9 119.0(2) . . ?
C11 C10 H10 120.5 . . ?
C9 C10 H10 120.5 . . ?
C10 C11 C12 118.4(2) . . ?
C10 C11 H11 120.8 . . ?
C12 C11 H11 120.8 . . ?
C13 C12 C11 119.9(2) . . ?
C13 C12 H12 120.1 . . ?
C11 C12 H12 120.1 . . ?
N5 C13 C12 122.7(2) . . ?
N5 C13 H13 118.6 . . ?
C12 C13 H13 118.6 . . ?
C19 C14 C15 118.2(3) . . ?
C19 C14 C7 120.4(2) . . ?
C15 C14 C7 121.3(2) . . ?
C14 C15 C16 120.9(3) . . ?
C14 C15 H15 119.6 . . ?
C16 C15 H15 119.6 . . ?
C15 C16 C17 121.2(3) . . ?
C15 C16 H16 119.4 . . ?
C17 C16 H16 119.4 . . ?
C18 C17 C16 116.9(3) . . ?
C18 C17 C20 120.4(3) . . ?
C16 C17 C20 122.7(3) . . ?
C19 C18 C17 122.0(3) . . ?
C19 C18 H18 119.0 . . ?
C17 C18 H18 119.0 . . ?
C18 C19 C14 120.8(3) . . ?
C18 C19 H19 119.6 . . ?
C14 C19 H19 119.6 . . ?
C21 C20 C17 112.5(3) . . ?
C21 C20 C22 109.5(3) . . ?
C17 C20 C22 107.5(2) . . ?
C21 C20 C23 107.7(3) . . ?
C17 C20 C23 110.0(3) . . ?
C22 C20 C23 109.6(3) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N12 C24 C25 108.9(2) . . ?
N12 C24 H24A 109.9 . . ?
C25 C24 H24A 109.9 . . ?
N12 C24 H24B 109.9 . . ?
C25 C24 H24B 109.9 . . ?
H24A C24 H24B 108.3 . . ?
C26 C25 C24 108.3(3) . . ?
C26 C25 H25A 110.0 . . ?
C24 C25 H25A 110.0 . . ?
C26 C25 H25B 110.0 . . ?
C24 C25 H25B 110.0 . . ?
H25A C25 H25B 108.4 . . ?
N11 C26 C25 111.6(2) . . ?
N11 C26 H26A 109.3 . . ?
C25 C26 H26A 109.3 . . ?
N11 C26 H26B 109.3 . . ?
C25 C26 H26B 109.3 . . ?
H26A C26 H26B 108.0 . . ?
N11 C27 C28 113.1(2) . . ?
N11 C27 H27A 109.0 . . ?
C28 C27 H27A 109.0 . . ?
N11 C27 H27B 109.0 . . ?
C28 C27 H27B 109.0 . . ?
H27A C27 H27B 107.8 . . ?
C27 C28 C29 107.4(2) . . ?
C27 C28 H28A 110.2 . . ?
C29 C28 H28A 110.2 . . ?
C27 C28 H28B 110.2 . . ?
C29 C28 H28B 110.2 . . ?
H28A C28 H28B 108.5 . . ?
N10 C29 C28 109.0(2) . . ?
N10 C29 H29A 109.9 . . ?
C28 C29 H29A 109.9 . . ?
N10 C29 H29B 109.9 . . ?
C28 C29 H29B 109.9 . . ?
H29A C29 H29B 108.3 . . ?
N12 C30 N11 124.1(2) . . ?
N12 C30 N10 119.1(2) . . ?
N11 C30 N10 116.9(2) . . ?
N9 C31 C32 121.9(2) . . ?
N9 C31 N10 118.0(2) . . ?
C32 C31 N10 120.0(2) . . ?
C33 C32 C31 118.8(2) . . ?
C33 C32 H32 120.6 . . ?
C31 C32 H32 120.6 . . ?
C34 C33 C32 119.6(3) . . ?
C34 C33 H33 120.2 . . ?
C32 C33 H33 120.2 . . ?
C33 C34 C35 119.4(3) . . ?
C33 C34 H34 120.3 . . ?
C35 C34 H34 120.3 . . ?
N9 C35 C34 121.8(2) . . ?
N9 C35 N8 117.7(2) . . ?
C34 C35 N8 120.5(2) . . ?
N8 C36 C37 109.8(2) . . ?
N8 C36 H36A 109.7 . . ?
C37 C36 H36A 109.7 . . ?
N8 C36 H36B 109.7 . . ?
C37 C36 H36B 109.7 . . ?
H36A C36 H36B 108.2 . . ?
C38 C37 C36 108.5(3) . . ?
C38 C37 H37A 110.0 . . ?
C36 C37 H37A 110.0 . . ?
C38 C37 H37B 110.0 . . ?
C36 C37 H37B 110.0 . . ?
H37A C37 H37B 108.4 . . ?
N7 C38 C37 113.9(2) . . ?
N7 C38 H38A 108.8 . . ?
C37 C38 H38A 108.8 . . ?
N7 C38 H38B 108.8 . . ?
C37 C38 H38B 108.8 . . ?
H38A C38 H38B 107.7 . . ?
C40A C39 N7 113.6(3) . . ?
C40A C39 C40B 47.9(4) . . ?
N7 C39 C40B 105.8(4) . . ?
C40A C39 H39A 108.8 . . ?
N7 C39 H39A 108.8 . . ?
C40B C39 H39A 144.4 . . ?
C40A C39 H39B 108.8 . . ?
N7 C39 H39B 108.8 . . ?
C40B C39 H39B 67.4 . . ?
H39A C39 H39B 107.7 . . ?
C39 C40A C41 109.6(3) . . ?
C39 C40A H40A 109.7 . . ?
C41 C40A H40A 109.7 . . ?
C39 C40A H40B 109.7 . . ?
C41 C40A H40B 109.7 . . ?
H40A C40A H40B 108.2 . . ?
C41 C40B C39 111.6(6) . . ?
C41 C40B H40C 109.3 . . ?
C39 C40B H40C 109.3 . . ?
C41 C40B H40D 109.3 . . ?
C39 C40B H40D 109.3 . . ?
H40C C40B H40D 108.0 . . ?
C40B C41 N6 116.4(4) . . ?
C40B C41 C40A 47.7(4) . . ?
N6 C41 C40A 108.4(3) . . ?
C40B C41 H41A 132.9 . . ?
N6 C41 H41A 110.0 . . ?
C40A C41 H41A 110.0 . . ?
C40B C41 H41B 63.1 . . ?
N6 C41 H41B 110.0 . . ?
C40A C41 H41B 110.0 . . ?
H41A C41 H41B 108.4 . . ?
N6 C42 N7 124.1(2) . . ?
N6 C42 N8 120.4(2) . . ?
N7 C42 N8 115.4(2) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag









F6 P1 F5A F5B -52(4) . . . . ?
F1 P1 F5A F5B 44(4) . . . . ?
F3 P1 F5A F5B 132(4) . . . . ?
F4 P1 F5A F5B -140(4) . . . . ?
F6 P1 F5B F5A 127(4) . . . . ?
F2 P1 F5B F5A -178.4(6) . . . . ?
F1 P1 F5B F5A -135(4) . . . . ?
F3 P1 F5B F5A -49(4) . . . . ?
F4 P1 F5B F5A 41(4) . . . . ?
N2 Ru1 N1 C5 174.6(2) . . . . ?
N6 Ru1 N1 C5 79.9(2) . . . . ?
N9 Ru1 N1 C5 -6.3(2) . . . . ?
N12 Ru1 N1 C5 -91.4(2) . . . . ?
N5 Ru1 N1 C5 170.56(19) . . . . ?
N2 Ru1 N1 C1 -5.96(15) . . . . ?
N6 Ru1 N1 C1 -100.62(16) . . . . ?
N9 Ru1 N1 C1 173.20(15) . . . . ?
N12 Ru1 N1 C1 88.08(16) . . . . ?
N5 Ru1 N1 C1 -10.0(3) . . . . ?
N6 Ru1 N2 C8 -84.99(17) . . . . ?
N12 Ru1 N2 C8 94.60(17) . . . . ?
N1 Ru1 N2 C8 -175.70(18) . . . . ?
N5 Ru1 N2 C8 2.66(16) . . . . ?
N6 Ru1 N2 C6 96.10(17) . . . . ?
N12 Ru1 N2 C6 -84.32(17) . . . . ?
N1 Ru1 N2 C6 5.39(16) . . . . ?
N5 Ru1 N2 C6 -176.26(18) . . . . ?
N2 Ru1 N5 C13 -179.6(2) . . . . ?
N6 Ru1 N5 C13 -84.3(2) . . . . ?
N9 Ru1 N5 C13 1.3(2) . . . . ?
N12 Ru1 N5 C13 86.9(2) . . . . ?
N1 Ru1 N5 C13 -175.54(19) . . . . ?
N2 Ru1 N5 C9 -4.70(15) . . . . ?
N6 Ru1 N5 C9 90.58(16) . . . . ?
N9 Ru1 N5 C9 176.11(15) . . . . ?
N12 Ru1 N5 C9 -98.29(16) . . . . ?
N1 Ru1 N5 C9 -0.7(3) . . . . ?
N2 Ru1 N6 C42 140.24(19) . . . . ?
N9 Ru1 N6 C42 -40.63(19) . . . . ?
N1 Ru1 N6 C42 -141.59(19) . . . . ?
N5 Ru1 N6 C42 62.13(19) . . . . ?
N2 Ru1 N6 C41 -37.06(19) . . . . ?
N9 Ru1 N6 C41 142.08(19) . . . . ?
N1 Ru1 N6 C41 41.12(19) . . . . ?
N5 Ru1 N6 C41 -115.16(19) . . . . ?
N6 Ru1 N9 C35 34.96(18) . . . . ?
N12 Ru1 N9 C35 -144.49(19) . . . . ?
N1 Ru1 N9 C35 125.90(18) . . . . ?
N5 Ru1 N9 C35 -52.79(19) . . . . ?
N6 Ru1 N9 C31 -146.59(18) . . . . ?
N12 Ru1 N9 C31 33.96(18) . . . . ?
N1 Ru1 N9 C31 -55.64(18) . . . . ?
N5 Ru1 N9 C31 125.66(17) . . . . ?
N2 Ru1 N12 C30 132.27(19) . . . . ?
N9 Ru1 N12 C30 -46.86(19) . . . . ?
N1 Ru1 N12 C30 54.19(19) . . . . ?
N5 Ru1 N12 C30 -149.31(19) . . . . ?
N2 Ru1 N12 C24 -37.1(2) . . . . ?
N9 Ru1 N12 C24 143.7(2) . . . . ?
N1 Ru1 N12 C24 -115.2(2) . . . . ?
N5 Ru1 N12 C24 41.3(2) . . . . ?
C5 N1 C1 C2 2.7(3) . . . . ?
Ru1 N1 C1 C2 -176.83(19) . . . . ?
C5 N1 C1 C6 -174.6(2) . . . . ?
Ru1 N1 C1 C6 5.8(2) . . . . ?
N1 C1 C2 C3 0.5(4) . . . . ?
C6 C1 C2 C3 177.7(2) . . . . ?
C1 C2 C3 C4 -3.1(4) . . . . ?
C2 C3 C4 C5 2.4(4) . . . . ?
C1 N1 C5 C4 -3.5(3) . . . . ?
Ru1 N1 C5 C4 175.99(19) . . . . ?
C3 C4 C5 N1 1.0(4) . . . . ?
C8 N2 C6 N3 -0.4(3) . . . . ?
Ru1 N2 C6 N3 178.57(17) . . . . ?
C8 N2 C6 C1 177.30(19) . . . . ?
Ru1 N2 C6 C1 -3.7(3) . . . . ?
N1 C1 C6 N3 175.9(2) . . . . ?
C2 C1 C6 N3 -1.5(4) . . . . ?
N1 C1 C6 N2 -1.8(3) . . . . ?
C2 C1 C6 N2 -179.1(2) . . . . ?
N2 C6 N3 C7 1.5(3) . . . . ?
C1 C6 N3 C7 -175.9(2) . . . . ?
C6 N3 C7 N4 -1.4(3) . . . . ?
C6 N3 C7 C14 177.2(2) . . . . ?
N3 C7 N4 C8 0.2(3) . . . . ?
C14 C7 N4 C8 -178.44(19) . . . . ?
C7 N4 C8 N2 1.0(3) . . . . ?
C7 N4 C8 C9 -178.7(2) . . . . ?
C6 N2 C8 N4 -0.9(3) . . . . ?
Ru1 N2 C8 N4 -179.90(17) . . . . ?
C6 N2 C8 C9 178.8(2) . . . . ?
Ru1 N2 C8 C9 -0.2(3) . . . . ?
C13 N5 C9 C10 1.9(3) . . . . ?
Ru1 N5 C9 C10 -173.77(19) . . . . ?
C13 N5 C9 C8 -178.4(2) . . . . ?
Ru1 N5 C9 C8 6.0(2) . . . . ?
N4 C8 C9 N5 175.7(2) . . . . ?
N2 C8 C9 N5 -4.0(3) . . . . ?
N4 C8 C9 C10 -4.6(4) . . . . ?
N2 C8 C9 C10 175.7(2) . . . . ?
N5 C9 C10 C11 0.0(4) . . . . ?
C8 C9 C10 C11 -179.8(2) . . . . ?
C9 C10 C11 C12 -1.3(4) . . . . ?
C10 C11 C12 C13 0.9(4) . . . . ?
C9 N5 C13 C12 -2.4(3) . . . . ?
Ru1 N5 C13 C12 172.3(2) . . . . ?
C11 C12 C13 N5 1.1(4) . . . . ?
N3 C7 C14 C19 157.2(3) . . . . ?
N4 C7 C14 C19 -24.0(3) . . . . ?
N3 C7 C14 C15 -25.4(3) . . . . ?
N4 C7 C14 C15 153.3(2) . . . . ?
C19 C14 C15 C16 2.2(4) . . . . ?
C7 C14 C15 C16 -175.2(2) . . . . ?
C14 C15 C16 C17 -1.5(4) . . . . ?
C15 C16 C17 C18 -1.0(4) . . . . ?
C15 C16 C17 C20 -179.9(3) . . . . ?
C16 C17 C18 C19 2.7(5) . . . . ?
C20 C17 C18 C19 -178.3(3) . . . . ?
C17 C18 C19 C14 -2.0(5) . . . . ?
C15 C14 C19 C18 -0.5(4) . . . . ?
C7 C14 C19 C18 176.9(3) . . . . ?
C18 C17 C20 C21 164.5(3) . . . . ?
C16 C17 C20 C21 -16.5(4) . . . . ?
C18 C17 C20 C22 -74.9(4) . . . . ?
C16 C17 C20 C22 104.1(3) . . . . ?
C18 C17 C20 C23 44.4(4) . . . . ?
C16 C17 C20 C23 -136.6(3) . . . . ?
C30 N12 C24 C25 -47.6(3) . . . . ?
Ru1 N12 C24 C25 122.2(2) . . . . ?
N12 C24 C25 C26 62.3(3) . . . . ?
C30 N11 C26 C25 3.7(4) . . . . ?
C27 N11 C26 C25 -172.3(3) . . . . ?
C24 C25 C26 N11 -40.2(4) . . . . ?
C30 N11 C27 C28 1.0(4) . . . . ?
C26 N11 C27 C28 176.8(3) . . . . ?
N11 C27 C28 C29 -36.7(3) . . . . ?
C30 N10 C29 C28 -54.7(3) . . . . ?
C31 N10 C29 C28 101.5(3) . . . . ?
C27 C28 C29 N10 62.3(3) . . . . ?
C24 N12 C30 N11 9.2(4) . . . . ?
Ru1 N12 C30 N11 -161.0(2) . . . . ?
C24 N12 C30 N10 -171.3(2) . . . . ?
Ru1 N12 C30 N10 18.4(3) . . . . ?
C26 N11 C30 N12 14.4(4) . . . . ?
C27 N11 C30 N12 -170.2(3) . . . . ?
C26 N11 C30 N10 -165.1(3) . . . . ?
C27 N11 C30 N10 10.4(4) . . . . ?
C31 N10 C30 N12 42.6(3) . . . . ?
C29 N10 C30 N12 -161.9(2) . . . . ?
C31 N10 C30 N11 -137.9(2) . . . . ?
C29 N10 C30 N11 17.6(3) . . . . ?
C35 N9 C31 C32 2.1(3) . . . . ?
Ru1 N9 C31 C32 -176.36(19) . . . . ?
C35 N9 C31 N10 -176.7(2) . . . . ?
Ru1 N9 C31 N10 4.8(3) . . . . ?
C30 N10 C31 N9 -56.1(3) . . . . ?
C29 N10 C31 N9 148.9(2) . . . . ?
C30 N10 C31 C32 125.1(3) . . . . ?
C29 N10 C31 C32 -29.9(3) . . . . ?
N9 C31 C32 C33 -1.1(4) . . . . ?
N10 C31 C32 C33 177.6(2) . . . . ?
C31 C32 C33 C34 -0.8(4) . . . . ?
C32 C33 C34 C35 1.6(4) . . . . ?
C31 N9 C35 C34 -1.3(4) . . . . ?
Ru1 N9 C35 C34 177.2(2) . . . . ?
C31 N9 C35 N8 -179.7(2) . . . . ?
Ru1 N9 C35 N8 -1.2(3) . . . . ?
C33 C34 C35 N9 -0.6(4) . . . . ?
C33 C34 C35 N8 177.8(3) . . . . ?
C42 N8 C35 N9 -49.3(3) . . . . ?
C36 N8 C35 N9 154.6(2) . . . . ?
C42 N8 C35 C34 132.2(3) . . . . ?
C36 N8 C35 C34 -23.9(4) . . . . ?
C42 N8 C36 C37 -58.2(3) . . . . ?
C35 N8 C36 C37 99.7(3) . . . . ?
N8 C36 C37 C38 57.7(3) . . . . ?
C42 N7 C38 C37 -19.6(5) . . . . ?
C39 N7 C38 C37 172.1(3) . . . . ?
C36 C37 C38 N7 -21.7(4) . . . . ?
C42 N7 C39 C40A 9.5(5) . . . . ?
C38 N7 C39 C40A 178.4(3) . . . . ?
C42 N7 C39 C40B -41.0(5) . . . . ?
C38 N7 C39 C40B 127.9(4) . . . . ?
N7 C39 C40A C41 -41.9(5) . . . . ?
C40B C39 C40A C41 48.4(5) . . . . ?
C40A C39 C40B C41 -52.0(5) . . . . ?
N7 C39 C40B C41 55.8(7) . . . . ?
C39 C40B C41 N6 -41.3(8) . . . . ?
C39 C40B C41 C40A 50.1(5) . . . . ?
C42 N6 C41 C40B 5.6(5) . . . . ?
Ru1 N6 C41 C40B -177.1(4) . . . . ?
C42 N6 C41 C40A -45.7(3) . . . . ?
Ru1 N6 C41 C40A 131.7(2) . . . . ?
C39 C40A C41 C40B -50.2(5) . . . . ?
C39 C40A C41 N6 59.1(4) . . . . ?
C41 N6 C42 N7 12.8(4) . . . . ?
Ru1 N6 C42 N7 -164.6(2) . . . . ?
C41 N6 C42 N8 -171.1(2) . . . . ?
Ru1 N6 C42 N8 11.5(3) . . . . ?
C38 N7 C42 N6 -160.7(3) . . . . ?
C39 N7 C42 N6 7.0(4) . . . . ?
C38 N7 C42 N8 23.0(4) . . . . ?
C39 N7 C42 N8 -169.4(3) . . . . ?
C35 N8 C42 N6 44.0(3) . . . . ?
C36 N8 C42 N6 -159.2(2) . . . . ?
C35 N8 C42 N7 -139.5(2) . . . . ?
C36 N8 C42 N7 17.2(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        69.71
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         0.763
_refine_diff_density_min         -0.776
_refine_diff_density_rms         0.064
_database_code_depnum_ccdc_archive 'CCDC 988220'
