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

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_vic1011

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C20 H25 N5 O'
_chemical_formula_sum            'C20 H25 N5 O'
_chemical_formula_weight         351.45

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'

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                   10.0802(8)
_cell_length_b                   9.8139(8)
_cell_length_c                   19.8569(15)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.1493(9)
_cell_angle_gamma                90.00
_cell_volume                     1964.4(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9893
_cell_measurement_theta_min      2.31
_cell_measurement_theta_max      27.36

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.26
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.188
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             752
_exptl_absorpt_coefficient_mu    0.077
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.9767
_exptl_absorpt_correction_T_max  0.9802
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            17156
_diffrn_reflns_av_R_equivalents  0.0184
_diffrn_reflns_av_sigmaI/netI    0.0147
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.02
_diffrn_reflns_theta_max         27.52
_reflns_number_total             4513
_reflns_number_gt                3693
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXD (Schneider & Sheldrick, 2002)'
_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)+(0.0479P)²+0.5432P] 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         4513
_refine_ls_number_parameters     236
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0516
_refine_ls_R_factor_gt           0.0410
_refine_ls_wR_factor_ref         0.1125
_refine_ls_wR_factor_gt          0.1041
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_restrained_S_all      1.048
_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
O O 0.10425(10) 0.19061(9) 0.26162(4) 0.0440(2) Uani 1 1 d . . .
N1 N 0.23688(10) 0.34356(10) 0.11465(5) 0.0302(2) Uani 1 1 d . . .
N2 N 0.20852(10) 0.32332(10) 0.18389(5) 0.0315(2) Uani 1 1 d . . .
N3 N 0.12303(10) 0.11234(10) 0.15405(5) 0.0327(2) Uani 1 1 d . . .
N4 N 0.20724(10) 0.10650(10) 0.09871(5) 0.0319(2) Uani 1 1 d . . .
N5 N 0.40599(11) 0.33815(12) 0.00554(5) 0.0398(3) Uani 1 1 d . . .
C1 C 0.14180(12) 0.20754(12) 0.20386(6) 0.0316(2) Uani 1 1 d . . .
C2 C 0.25703(11) 0.22033(11) 0.07996(5) 0.0290(2) Uani 1 1 d . . .
C3 C 0.30672(13) 0.38181(15) 0.23089(6) 0.0411(3) Uani 1 1 d . . .
H3 H 0.2817 0.3522 0.2773 0.049 Uiso 1 1 calc R . .
C4 C 0.3003(2) 0.53582(17) 0.22914(8) 0.0683(5) Uani 1 1 d . . .
H4A H 0.2095 0.5656 0.2386 0.082 Uiso 1 1 calc R . .
H4B H 0.3269 0.5682 0.1845 0.082 Uiso 1 1 calc R . .
H4C H 0.3606 0.5733 0.2632 0.082 Uiso 1 1 calc R . .
C5 C 0.44321(17) 0.3264(3) 0.21671(9) 0.0870(7) Uani 1 1 d . . .
H5A H 0.4409 0.2266 0.2183 0.104 Uiso 1 1 calc R . .
H5B H 0.5056 0.3603 0.2507 0.104 Uiso 1 1 calc R . .
H5C H 0.4719 0.3561 0.1719 0.104 Uiso 1 1 calc R . .
C6 C 0.05753(12) -0.01834(12) 0.16968(6) 0.0349(3) Uani 1 1 d . . .
H6 H 0.0076 -0.0063 0.2127 0.042 Uiso 1 1 calc R . .
C7 C -0.04230(14) -0.05170(15) 0.11507(7) 0.0463(3) Uani 1 1 d . . .
H7A H -0.1067 0.0227 0.1113 0.056 Uiso 1 1 calc R . .
H7B H -0.0886 -0.1364 0.1265 0.056 Uiso 1 1 calc R . .
H7C H 0.0038 -0.0630 0.0720 0.056 Uiso 1 1 calc R . .
C8 C 0.15847(15) -0.13086(14) 0.18060(8) 0.0511(4) Uani 1 1 d . . .
H8A H 0.2185 -0.1053 0.2174 0.061 Uiso 1 1 calc R . .
H8B H 0.2097 -0.1443 0.1393 0.061 Uiso 1 1 calc R . .
H8C H 0.1124 -0.2156 0.1922 0.061 Uiso 1 1 calc R . .
C9 C 0.14628(12) 0.44181(12) 0.08086(6) 0.0343(3) Uani 1 1 d . . .
H9A H 0.1785 0.4577 0.0345 0.041 Uiso 1 1 calc R . .
H9B H 0.1507 0.5298 0.1051 0.041 Uiso 1 1 calc R . .
C10 C 0.00384(12) 0.39696(12) 0.07740(6) 0.0331(3) Uani 1 1 d . . .
C11 C -0.03876(13) 0.30650(12) 0.02804(6) 0.0368(3) Uani 1 1 d . . .
H11 H 0.0227 0.2742 -0.0045 0.044 Uiso 1 1 calc R . .
C12 C -0.16889(14) 0.26273(16) 0.02544(7) 0.0497(4) Uani 1 1 d . . .
H12 H -0.1963 0.2004 -0.0085 0.060 Uiso 1 1 calc R . .
C13 C -0.25858(16) 0.3095(2) 0.07205(9) 0.0689(5) Uani 1 1 d . . .
H13 H -0.3480 0.2791 0.0707 0.083 Uiso 1 1 calc R . .
C14 C -0.21852(17) 0.4004(3) 0.12060(9) 0.0803(7) Uani 1 1 d . . .
H14 H -0.2808 0.4332 0.1526 0.096 Uiso 1 1 calc R . .
C15 C -0.08793(15) 0.44462(19) 0.12340(7) 0.0566(4) Uani 1 1 d . . .
H15 H -0.0614 0.5079 0.1570 0.068 Uiso 1 1 calc R . .
C16 C 0.34139(11) 0.22217(12) 0.01854(5) 0.0307(2) Uani 1 1 d . . .
C17 C 0.34982(15) 0.10813(14) -0.02235(7) 0.0448(3) Uani 1 1 d . . .
H17 H 0.3016 0.0278 -0.0118 0.054 Uiso 1 1 calc R . .
C18 C 0.42961(16) 0.11332(17) -0.07878(7) 0.0542(4) Uani 1 1 d . . .
H18 H 0.4380 0.0363 -0.1074 0.065 Uiso 1 1 calc R . .
C19 C 0.49683(14) 0.23230(17) -0.09271(7) 0.0477(3) Uani 1 1 d . . .
H19 H 0.5524 0.2389 -0.1311 0.057 Uiso 1 1 calc R . .
C20 C 0.48191(14) 0.34125(16) -0.04991(7) 0.0460(3) Uani 1 1 d . . .
H20 H 0.5278 0.4232 -0.0601 0.055 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
O C1 1.2201(14) . ?
N1 C2 1.4068(15) . ?
N1 N2 1.4190(13) . ?
N1 C9 1.4869(14) . ?
N2 C1 1.3791(15) . ?
N2 C3 1.4749(16) . ?
N3 C1 1.3734(15) . ?
N3 N4 1.3914(13) . ?
N3 C6 1.4759(14) . ?
N4 C2 1.2804(14) . ?
N5 C16 1.3368(15) . ?
N5 C20 1.3429(16) . ?
C2 C16 1.4887(15) . ?
C3 C5 1.507(2) . ?
C3 C4 1.513(2) . ?
C6 C7 1.5132(19) . ?
C6 C8 1.5167(18) . ?
C9 C10 1.5031(17) . ?
C10 C15 1.3832(18) . ?
C10 C11 1.3896(17) . ?
C11 C12 1.3811(19) . ?
C12 C13 1.375(2) . ?
C13 C14 1.373(3) . ?
C14 C15 1.387(3) . ?
C16 C17 1.3855(18) . ?
C17 C18 1.3819(18) . ?
C18 C19 1.378(2) . ?
C19 C20 1.374(2) . ?

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
C2 N1 N2 112.57(8) . . ?
C2 N1 C9 115.20(9) . . ?
N2 N1 C9 113.76(9) . . ?
C1 N2 N1 119.57(9) . . ?
C1 N2 C3 117.75(10) . . ?
N1 N2 C3 114.97(9) . . ?
C1 N3 N4 120.90(9) . . ?
C1 N3 C6 120.04(9) . . ?
N4 N3 C6 113.86(9) . . ?
C2 N4 N3 115.73(9) . . ?
C16 N5 C20 117.16(11) . . ?
O C1 N3 122.81(11) . . ?
O C1 N2 122.36(11) . . ?
N3 C1 N2 114.82(10) . . ?
N4 C2 N1 123.40(10) . . ?
N4 C2 C16 118.30(10) . . ?
N1 C2 C16 118.31(9) . . ?
N2 C3 C5 110.66(13) . . ?
N2 C3 C4 110.23(12) . . ?
C5 C3 C4 113.27(16) . . ?
N3 C6 C7 109.53(10) . . ?
N3 C6 C8 111.25(10) . . ?
C7 C6 C8 112.93(12) . . ?
N1 C9 C10 114.60(9) . . ?
C15 C10 C11 118.41(13) . . ?
C15 C10 C9 120.75(12) . . ?
C11 C10 C9 120.84(11) . . ?
C12 C11 C10 121.12(13) . . ?
C13 C12 C11 119.81(15) . . ?
C14 C13 C12 119.80(15) . . ?
C13 C14 C15 120.59(15) . . ?
C10 C15 C14 120.26(16) . . ?
N5 C16 C17 122.95(11) . . ?
N5 C16 C2 116.62(10) . . ?
C17 C16 C2 120.42(10) . . ?
C18 C17 C16 118.83(12) . . ?
C19 C18 C17 118.77(14) . . ?
C20 C19 C18 118.71(12) . . ?
N5 C20 C19 123.57(13) . . ?

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
C2 N1 N2 C1 -31.36(14) . . . . ?
C9 N1 N2 C1 102.02(12) . . . . ?
C2 N1 N2 C3 117.37(11) . . . . ?
C9 N1 N2 C3 -109.24(11) . . . . ?
C1 N3 N4 C2 -31.31(15) . . . . ?
C6 N3 N4 C2 174.18(10) . . . . ?
N4 N3 C1 O -154.30(11) . . . . ?
C6 N3 C1 O -1.35(18) . . . . ?
N4 N3 C1 N2 24.67(15) . . . . ?
C6 N3 C1 N2 177.63(10) . . . . ?
N1 N2 C1 O -173.21(11) . . . . ?
C3 N2 C1 O 38.91(17) . . . . ?
N1 N2 C1 N3 7.81(15) . . . . ?
C3 N2 C1 N3 -140.08(11) . . . . ?
N3 N4 C2 N1 4.10(16) . . . . ?
N3 N4 C2 C16 -176.35(9) . . . . ?
N2 N1 C2 N4 25.60(15) . . . . ?
C9 N1 C2 N4 -107.09(13) . . . . ?
N2 N1 C2 C16 -153.95(9) . . . . ?
C9 N1 C2 C16 73.37(13) . . . . ?
C1 N2 C3 C5 92.64(15) . . . . ?
N1 N2 C3 C5 -56.69(16) . . . . ?
C1 N2 C3 C4 -141.27(13) . . . . ?
N1 N2 C3 C4 69.40(14) . . . . ?
C1 N3 C6 C7 135.91(12) . . . . ?
N4 N3 C6 C7 -69.34(13) . . . . ?
C1 N3 C6 C8 -98.54(13) . . . . ?
N4 N3 C6 C8 56.21(14) . . . . ?
C2 N1 C9 C10 67.70(13) . . . . ?
N2 N1 C9 C10 -64.43(13) . . . . ?
N1 C9 C10 C15 98.80(14) . . . . ?
N1 C9 C10 C11 -81.08(14) . . . . ?
C15 C10 C11 C12 -1.24(19) . . . . ?
C9 C10 C11 C12 178.65(11) . . . . ?
C10 C11 C12 C13 0.4(2) . . . . ?
C11 C12 C13 C14 0.5(3) . . . . ?
C12 C13 C14 C15 -0.5(3) . . . . ?
C11 C10 C15 C14 1.2(2) . . . . ?
C9 C10 C15 C14 -178.65(15) . . . . ?
C13 C14 C15 C10 -0.4(3) . . . . ?
C20 N5 C16 C17 -0.12(19) . . . . ?
C20 N5 C16 C2 -179.69(11) . . . . ?
N4 C2 C16 N5 -171.29(11) . . . . ?
N1 C2 C16 N5 8.28(15) . . . . ?
N4 C2 C16 C17 9.13(17) . . . . ?
N1 C2 C16 C17 -171.30(11) . . . . ?
N5 C16 C17 C18 0.8(2) . . . . ?
C2 C16 C17 C18 -179.69(13) . . . . ?
C16 C17 C18 C19 -0.7(2) . . . . ?
C17 C18 C19 C20 0.0(2) . . . . ?
C16 N5 C20 C19 -0.6(2) . . . . ?
C18 C19 C20 N5 0.7(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        27.52
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.273
_refine_diff_density_min         -0.258
_refine_diff_density_rms         0.033
_database_code_depnum_ccdc_archive 'CCDC 1010822'
#######################################################################
#
#                 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_vic1257

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H27 F12 N5 O5 Ru'
_chemical_formula_sum            'C30 H27 F12 N5 O5 Ru'
_chemical_formula_weight         866.64

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'
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  '-P 2yn'

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                   20.7821(4)
_cell_length_b                   7.89150(10)
_cell_length_c                   23.1429(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.7100(10)
_cell_angle_gamma                90.00
_cell_volume                     3419.73(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9933
_cell_measurement_theta_min      3.80
_cell_measurement_theta_max      67.52

_exptl_crystal_description       plate
_exptl_crystal_colour            purple
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.03
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.683
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1736
_exptl_absorpt_coefficient_mu    4.746
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.2882
_exptl_absorpt_correction_T_max  0.8746
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(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            21899
_diffrn_reflns_av_R_equivalents  0.0282
_diffrn_reflns_av_sigmaI/netI    0.0226
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.39
_diffrn_reflns_theta_max         67.88
_reflns_number_total             5950
_reflns_number_gt                5652
_reflns_threshold_expression     I>2σ(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)+(0.0464P)²+1.9571P] 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         5950
_refine_ls_number_parameters     490
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0301
_refine_ls_R_factor_gt           0.0288
_refine_ls_wR_factor_ref         0.0764
_refine_ls_wR_factor_gt          0.0752
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_restrained_S_all      1.057
_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
Ru Ru 0.478343(7) 0.205160(18) 0.180373(7) 0.02259(7) Uani 1 1 d . . .
F1 F 0.38317(8) 0.1819(2) -0.04260(7) 0.0497(4) Uani 1 1 d . . .
F2 F 0.47956(9) 0.2591(3) -0.04715(8) 0.0607(4) Uani 1 1 d . . .
F3 F 0.41620(9) 0.4401(2) -0.02528(8) 0.0541(4) Uani 1 1 d . . .
F4 F 0.69401(8) 0.1326(2) 0.11982(8) 0.0545(4) Uani 1 1 d . . .
F5 F 0.70916(8) 0.2253(3) 0.21090(10) 0.0718(6) Uani 1 1 d . . .
F6 F 0.69241(8) -0.0378(2) 0.18984(10) 0.0657(5) Uani 1 1 d . . .
F7 F 0.20200(8) 0.2606(3) 0.11438(10) 0.0696(5) Uani 1 1 d . . .
F8 F 0.26747(12) 0.2590(4) 0.21399(10) 0.0997(9) Uani 1 1 d . . .
F9 F 0.26902(11) 0.4676(3) 0.15713(14) 0.0942(8) Uani 1 1 d . . .
F10A F 0.27176(11) -0.2187(4) 0.04204(18) 0.0949(11) Uani 0.85 1 d P A 1
F11A F 0.3626(2) -0.1941(4) 0.02536(17) 0.1030(12) Uani 0.85 1 d P A 1
F12A F 0.36824(17) -0.3378(3) 0.10220(13) 0.0962(10) Uani 0.85 1 d P A 1
F10B F 0.3840(6) -0.2689(14) 0.0577(6) 0.044(3) Uiso 0.15 1 d PD A 2
F11B F 0.3157(8) -0.3024(14) 0.0972(6) 0.059(3) Uiso 0.15 1 d PD A 2
F12B F 0.2922(8) -0.1561(19) 0.0159(5) 0.070(4) Uiso 0.15 1 d PD A 2
O1 O 0.44215(7) 0.26704(19) 0.08592(7) 0.0279(3) Uani 1 1 d . . .
O2 O 0.57426(7) 0.12214(17) 0.18832(7) 0.0251(3) Uani 1 1 d . . .
O3 O 0.38507(8) 0.29844(18) 0.17605(8) 0.0307(3) Uani 1 1 d . . .
O4 O 0.43162(7) -0.02270(18) 0.13913(7) 0.0275(3) Uani 1 1 d . . .
O5 O 0.57346(9) -0.1632(2) 0.38892(8) 0.0367(4) Uani 1 1 d . . .
N1 N 0.51963(9) 0.1709(2) 0.27848(9) 0.0243(3) Uani 1 1 d . . .
N2 N 0.51092(9) 0.0373(2) 0.31441(8) 0.0274(4) Uani 1 1 d . . .
N3 N 0.62106(10) 0.1016(2) 0.39815(9) 0.0318(4) Uani 1 1 d . . .
N4 N 0.60536(10) 0.2723(2) 0.37806(9) 0.0303(4) Uani 1 1 d . . .
N5 N 0.53072(9) 0.4257(2) 0.21337(9) 0.0260(4) Uani 1 1 d . . .
C1 C 0.44013(13) 0.2816(3) -0.01492(12) 0.0372(5) Uani 1 1 d . . .
C2 C 0.48036(11) 0.2432(3) 0.05623(11) 0.0285(4) Uani 1 1 d . . .
C3 C 0.55164(12) 0.1933(3) 0.08044(11) 0.0302(5) Uani 1 1 d . . .
H3 H 0.5735 0.1928 0.0519 0.036 Uiso 1 1 calc R . .
C4 C 0.59276(10) 0.1445(3) 0.14325(10) 0.0264(4) Uani 1 1 d . . .
C5 C 0.67266(11) 0.1148(3) 0.16582(12) 0.0339(5) Uani 1 1 d . . .
C6 C 0.26588(14) 0.3039(4) 0.15867(15) 0.0457(7) Uani 1 1 d . . .
C7 C 0.32709(12) 0.2174(3) 0.14985(12) 0.0329(5) Uani 1 1 d . . .
C8 C 0.31296(11) 0.0637(3) 0.11759(11) 0.0357(5) Uani 1 1 d . . .
H8 H 0.2647 0.0267 0.0974 0.043 Uiso 1 1 calc R . .
C9 C 0.36460(11) -0.0400(3) 0.11281(11) 0.0303(5) Uani 1 1 d . A .
C10 C 0.33963(14) -0.1980(3) 0.07041(13) 0.0403(6) Uani 1 1 d D . .
C11 C 0.56897(11) -0.0190(3) 0.36886(11) 0.0295(4) Uani 1 1 d . . .
C12 C 0.56542(11) 0.2862(2) 0.31231(11) 0.0265(4) Uani 1 1 d . . .
C13 C 0.57526(11) 0.4292(3) 0.27702(11) 0.0274(4) Uani 1 1 d . . .
C14 C 0.62501(12) 0.5575(3) 0.30449(12) 0.0335(5) Uani 1 1 d . . .
H14 H 0.6564 0.5560 0.3490 0.040 Uiso 1 1 calc R . .
C15 C 0.62781(13) 0.6876(3) 0.26556(14) 0.0381(6) Uani 1 1 d . . .
H15 H 0.6614 0.7769 0.2830 0.046 Uiso 1 1 calc R . .
C16 C 0.58137(14) 0.6866(3) 0.20114(13) 0.0386(6) Uani 1 1 d . . .
H16 H 0.5821 0.7763 0.1740 0.046 Uiso 1 1 calc R . .
C17 C 0.53387(12) 0.5540(3) 0.17648(12) 0.0326(5) Uani 1 1 d . . .
H17 H 0.5024 0.5534 0.1320 0.039 Uiso 1 1 calc R . .
C18 C 0.44260(11) -0.0581(3) 0.28510(11) 0.0301(5) Uani 1 1 d . . .
H18 H 0.4087 0.0097 0.2478 0.036 Uiso 1 1 calc R . .
C19 C 0.44985(14) -0.2308(3) 0.25978(13) 0.0397(5) Uani 1 1 d . . .
H19A H 0.4711 -0.2180 0.2296 0.048 Uiso 1 1 calc R . .
H19B H 0.4026 -0.2830 0.2378 0.048 Uiso 1 1 calc R . .
H19C H 0.4805 -0.3031 0.2956 0.048 Uiso 1 1 calc R . .
C20 C 0.41060(15) -0.0710(4) 0.33300(14) 0.0501(7) Uani 1 1 d . . .
H20A H 0.4068 0.0425 0.3484 0.060 Uiso 1 1 calc R . .
H20B H 0.4414 -0.1417 0.3693 0.060 Uiso 1 1 calc R . .
H20C H 0.3630 -0.1222 0.3121 0.060 Uiso 1 1 calc R . .
C21 C 0.69708(12) 0.0522(3) 0.42042(12) 0.0378(5) Uani 1 1 d . . .
H21 H 0.7003 -0.0733 0.4272 0.045 Uiso 1 1 calc R . .
C22 C 0.72340(13) 0.0925(4) 0.36989(13) 0.0452(6) Uani 1 1 d . . .
H22A H 0.6923 0.0373 0.3294 0.068 Uiso 1 1 calc R . .
H22B H 0.7723 0.0507 0.3843 0.068 Uiso 1 1 calc R . .
H22C H 0.7225 0.2154 0.3635 0.068 Uiso 1 1 calc R . .
C23 C 0.74300(15) 0.1348(4) 0.48401(14) 0.0555(7) Uani 1 1 d . . .
H23A H 0.7246 0.1056 0.5152 0.067 Uiso 1 1 calc R . .
H23B H 0.7419 0.2581 0.4786 0.067 Uiso 1 1 calc R . .
H23C H 0.7923 0.0942 0.4995 0.067 Uiso 1 1 calc R . .
C24 C 0.58553(13) 0.3824(3) 0.42031(12) 0.0384(5) Uani 1 1 d . . .
H24A H 0.5838 0.5012 0.4059 0.046 Uiso 1 1 calc R . .
H24B H 0.6242 0.3751 0.4645 0.046 Uiso 1 1 calc R . .
C25 C 0.51578(14) 0.3431(3) 0.42277(12) 0.0392(5) Uani 1 1 d . . .
C26 C 0.51483(18) 0.2560(4) 0.47430(15) 0.0561(7) Uani 1 1 d . . .
H26 H 0.5582 0.2143 0.5071 0.067 Uiso 1 1 calc R . .
C27 C 0.4509(2) 0.2292(5) 0.47829(18) 0.0721(10) Uani 1 1 d . . .
H27 H 0.4508 0.1700 0.5140 0.086 Uiso 1 1 calc R . .
C28 C 0.3878(2) 0.2875(5) 0.4312(2) 0.0697(10) Uani 1 1 d . . .
H28 H 0.3443 0.2695 0.4344 0.084 Uiso 1 1 calc R . .
C29 C 0.38779(18) 0.3724(4) 0.3791(2) 0.0691(9) Uani 1 1 d . . .
H29 H 0.3442 0.4116 0.3460 0.083 Uiso 1 1 calc R . .
C30 C 0.45168(16) 0.4001(4) 0.37540(16) 0.0545(7) Uani 1 1 d . . .
H30 H 0.4515 0.4595 0.3396 0.065 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
Ru N5 2.0189(17) . ?
Ru O2 2.0294(13) . ?
Ru O3 2.0349(14) . ?
Ru O1 2.0385(15) . ?
Ru N1 2.0675(18) . ?
Ru O4 2.0696(14) . ?
F1 C1 1.332(3) . ?
F2 C1 1.338(3) . ?
F3 C1 1.329(3) . ?
F4 C5 1.327(3) . ?
F5 C5 1.318(3) . ?
F6 C5 1.315(3) . ?
F7 C6 1.323(3) . ?
F8 C6 1.315(4) . ?
F9 C6 1.295(3) . ?
F10A C10 1.282(3) . ?
F11A C10 1.322(4) . ?
F12A C10 1.316(4) . ?
F10B C10 1.220(9) . ?
F11B C10 1.257(9) . ?
F12B C10 1.262(10) . ?
O1 C2 1.269(3) . ?
O2 C4 1.271(2) . ?
O3 C7 1.263(3) . ?
O4 C9 1.262(2) . ?
O5 C11 1.217(3) . ?
N1 C12 1.304(3) . ?
N1 N2 1.402(2) . ?
N2 C11 1.386(3) . ?
N2 C18 1.486(3) . ?
N3 C11 1.378(3) . ?
N3 N4 1.417(3) . ?
N3 C21 1.486(3) . ?
N4 C12 1.386(3) . ?
N4 C24 1.493(3) . ?
N5 C17 1.344(3) . ?
N5 C13 1.358(3) . ?
C1 C2 1.519(3) . ?
C2 C3 1.394(3) . ?
C3 C4 1.383(3) . ?
C4 C5 1.527(3) . ?
C6 C7 1.533(3) . ?
C7 C8 1.388(3) . ?
C8 C9 1.392(3) . ?
C9 C10 1.531(3) . ?
C12 C13 1.459(3) . ?
C13 C14 1.389(3) . ?
C14 C15 1.384(3) . ?
C15 C16 1.380(4) . ?
C16 C17 1.381(3) . ?
C18 C19 1.517(3) . ?
C18 C20 1.523(3) . ?
C21 C23 1.511(4) . ?
C21 C22 1.524(4) . ?
C24 C25 1.508(3) . ?
C25 C30 1.383(4) . ?
C25 C26 1.384(4) . ?
C26 C27 1.388(5) . ?
C27 C28 1.371(6) . ?
C28 C29 1.378(5) . ?
C29 C30 1.385(4) . ?

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
N5 Ru O2 84.07(6) . . ?
N5 Ru O3 93.01(6) . . ?
O2 Ru O3 176.84(6) . . ?
N5 Ru O1 94.97(7) . . ?
O2 Ru O1 93.76(6) . . ?
O3 Ru O1 87.71(6) . . ?
N5 Ru N1 78.38(7) . . ?
O2 Ru N1 86.27(6) . . ?
O3 Ru N1 91.94(6) . . ?
O1 Ru N1 173.31(6) . . ?
N5 Ru O4 172.55(6) . . ?
O2 Ru O4 90.41(5) . . ?
O3 Ru O4 92.59(6) . . ?
O1 Ru O4 80.36(6) . . ?
N1 Ru O4 106.33(6) . . ?
C2 O1 Ru 121.23(14) . . ?
C4 O2 Ru 121.05(13) . . ?
C7 O3 Ru 122.06(14) . . ?
C9 O4 Ru 121.03(14) . . ?
C12 N1 N2 114.65(18) . . ?
C12 N1 Ru 114.54(14) . . ?
N2 N1 Ru 130.58(13) . . ?
C11 N2 N1 119.66(16) . . ?
C11 N2 C18 122.35(17) . . ?
N1 N2 C18 116.99(17) . . ?
C11 N3 N4 118.38(18) . . ?
C11 N3 C21 118.66(18) . . ?
N4 N3 C21 114.96(17) . . ?
C12 N4 N3 112.25(17) . . ?
C12 N4 C24 117.96(18) . . ?
N3 N4 C24 115.36(18) . . ?
C17 N5 C13 118.40(19) . . ?
C17 N5 Ru 125.16(15) . . ?
C13 N5 Ru 115.45(13) . . ?
F3 C1 F1 106.5(2) . . ?
F3 C1 F2 107.2(2) . . ?
F1 C1 F2 106.6(2) . . ?
F3 C1 C2 111.7(2) . . ?
F1 C1 C2 111.09(19) . . ?
F2 C1 C2 113.3(2) . . ?
O1 C2 C3 129.0(2) . . ?
O1 C2 C1 112.21(19) . . ?
C3 C2 C1 118.8(2) . . ?
C4 C3 C2 124.4(2) . . ?
O2 C4 C3 129.21(19) . . ?
O2 C4 C5 111.66(18) . . ?
C3 C4 C5 119.11(19) . . ?
F6 C5 F5 107.7(2) . . ?
F6 C5 F4 106.5(2) . . ?
F5 C5 F4 106.68(19) . . ?
F6 C5 C4 112.26(18) . . ?
F5 C5 C4 109.64(19) . . ?
F4 C5 C4 113.69(19) . . ?
F9 C6 F8 108.4(3) . . ?
F9 C6 F7 106.4(2) . . ?
F8 C6 F7 106.1(2) . . ?
F9 C6 C7 112.7(2) . . ?
F8 C6 C7 109.8(2) . . ?
F7 C6 C7 113.2(2) . . ?
O3 C7 C8 129.5(2) . . ?
O3 C7 C6 112.6(2) . . ?
C8 C7 C6 117.8(2) . . ?
C7 C8 C9 124.5(2) . . ?
O4 C9 C8 128.7(2) . . ?
O4 C9 C10 113.19(19) . . ?
C8 C9 C10 118.10(19) . . ?
F10B C10 F11B 108.8(9) . . ?
F10B C10 F12B 103.0(9) . . ?
F11B C10 F12B 111.1(10) . . ?
F10A C10 F12A 108.0(3) . . ?
F10A C10 F11A 107.0(3) . . ?
F12A C10 F11A 103.3(3) . . ?
F10B C10 C9 116.5(6) . . ?
F11B C10 C9 108.3(6) . . ?
F12B C10 C9 109.1(7) . . ?
F10A C10 C9 115.1(2) . . ?
F12A C10 C9 112.3(2) . . ?
F11A C10 C9 110.4(2) . . ?
O5 C11 N3 123.0(2) . . ?
O5 C11 N2 122.6(2) . . ?
N3 C11 N2 114.44(19) . . ?
N1 C12 N4 122.53(19) . . ?
N1 C12 C13 116.5(2) . . ?
N4 C12 C13 120.88(19) . . ?
N5 C13 C14 122.2(2) . . ?
N5 C13 C12 113.35(18) . . ?
C14 C13 C12 124.4(2) . . ?
C15 C14 C13 118.4(2) . . ?
C16 C15 C14 119.5(2) . . ?
C15 C16 C17 119.4(2) . . ?
N5 C17 C16 122.1(2) . . ?
N2 C18 C19 113.33(18) . . ?
N2 C18 C20 109.53(19) . . ?
C19 C18 C20 111.6(2) . . ?
N3 C21 C23 110.6(2) . . ?
N3 C21 C22 111.15(19) . . ?
C23 C21 C22 111.8(2) . . ?
N4 C24 C25 116.6(2) . . ?
C30 C25 C26 118.4(3) . . ?
C30 C25 C24 121.0(2) . . ?
C26 C25 C24 120.5(3) . . ?
C25 C26 C27 120.3(3) . . ?
C28 C27 C26 120.6(3) . . ?
C27 C28 C29 119.7(3) . . ?
C28 C29 C30 119.7(3) . . ?
C25 C30 C29 121.3(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
N5 Ru O1 C2 85.02(16) . . . . ?
O2 Ru O1 C2 0.66(16) . . . . ?
O3 Ru O1 C2 177.85(16) . . . . ?
N1 Ru O1 C2 90.7(5) . . . . ?
O4 Ru O1 C2 -89.13(16) . . . . ?
N5 Ru O2 C4 -85.88(15) . . . . ?
O3 Ru O2 C4 -108.9(10) . . . . ?
O1 Ru O2 C4 8.74(15) . . . . ?
N1 Ru O2 C4 -164.56(15) . . . . ?
O4 Ru O2 C4 89.10(15) . . . . ?
N5 Ru O3 C7 170.93(17) . . . . ?
O2 Ru O3 C7 -166.1(10) . . . . ?
O1 Ru O3 C7 76.07(17) . . . . ?
N1 Ru O3 C7 -110.61(17) . . . . ?
O4 Ru O3 C7 -4.17(17) . . . . ?
N5 Ru O4 C9 -126.4(5) . . . . ?
O2 Ru O4 C9 -168.53(16) . . . . ?
O3 Ru O4 C9 12.45(16) . . . . ?
O1 Ru O4 C9 -74.79(16) . . . . ?
N1 Ru O4 C9 105.24(16) . . . . ?
N5 Ru N1 C12 -9.68(14) . . . . ?
O2 Ru N1 C12 75.03(14) . . . . ?
O3 Ru N1 C12 -102.36(14) . . . . ?
O1 Ru N1 C12 -15.4(6) . . . . ?
O4 Ru N1 C12 164.36(14) . . . . ?
N5 Ru N1 N2 176.18(17) . . . . ?
O2 Ru N1 N2 -99.12(16) . . . . ?
O3 Ru N1 N2 83.50(16) . . . . ?
O1 Ru N1 N2 170.4(4) . . . . ?
O4 Ru N1 N2 -9.78(17) . . . . ?
C12 N1 N2 C11 -34.7(3) . . . . ?
Ru N1 N2 C11 139.42(16) . . . . ?
C12 N1 N2 C18 156.45(18) . . . . ?
Ru N1 N2 C18 -29.4(2) . . . . ?
C11 N3 N4 C12 -38.9(3) . . . . ?
C21 N3 N4 C12 109.6(2) . . . . ?
C11 N3 N4 C24 100.1(2) . . . . ?
C21 N3 N4 C24 -111.4(2) . . . . ?
O2 Ru N5 C17 93.08(17) . . . . ?
O3 Ru N5 C17 -88.16(17) . . . . ?
O1 Ru N5 C17 -0.20(17) . . . . ?
N1 Ru N5 C17 -179.53(18) . . . . ?
O4 Ru N5 C17 50.6(6) . . . . ?
O2 Ru N5 C13 -75.31(14) . . . . ?
O3 Ru N5 C13 103.45(14) . . . . ?
O1 Ru N5 C13 -168.59(14) . . . . ?
N1 Ru N5 C13 12.08(13) . . . . ?
O4 Ru N5 C13 -117.7(5) . . . . ?
Ru O1 C2 C3 -7.7(3) . . . . ?
Ru O1 C2 C1 174.22(14) . . . . ?
F3 C1 C2 O1 58.1(3) . . . . ?
F1 C1 C2 O1 -60.7(3) . . . . ?
F2 C1 C2 O1 179.4(2) . . . . ?
F3 C1 C2 C3 -120.2(2) . . . . ?
F1 C1 C2 C3 121.0(2) . . . . ?
F2 C1 C2 C3 1.0(3) . . . . ?
O1 C2 C3 C4 6.3(4) . . . . ?
C1 C2 C3 C4 -175.7(2) . . . . ?
Ru O2 C4 C3 -13.3(3) . . . . ?
Ru O2 C4 C5 165.15(13) . . . . ?
C2 C3 C4 O2 6.2(4) . . . . ?
C2 C3 C4 C5 -172.1(2) . . . . ?
O2 C4 C5 F6 57.4(3) . . . . ?
C3 C4 C5 F6 -124.0(2) . . . . ?
O2 C4 C5 F5 -62.3(3) . . . . ?
C3 C4 C5 F5 116.3(2) . . . . ?
O2 C4 C5 F4 178.40(19) . . . . ?
C3 C4 C5 F4 -3.0(3) . . . . ?
Ru O3 C7 C8 -3.5(3) . . . . ?
Ru O3 C7 C6 173.89(15) . . . . ?
F9 C6 C7 O3 36.0(3) . . . . ?
F8 C6 C7 O3 -84.9(3) . . . . ?
F7 C6 C7 O3 156.7(2) . . . . ?
F9 C6 C7 C8 -146.3(3) . . . . ?
F8 C6 C7 C8 92.8(3) . . . . ?
F7 C6 C7 C8 -25.6(3) . . . . ?
O3 C7 C8 C9 5.7(4) . . . . ?
C6 C7 C8 C9 -171.5(2) . . . . ?
Ru O4 C9 C8 -14.9(3) . . . . ?
Ru O4 C9 C10 164.97(14) . . . . ?
C7 C8 C9 O4 5.3(4) . . . . ?
C7 C8 C9 C10 -174.5(2) . . . . ?
O4 C9 C10 F10B -12.9(8) . . . . ?
C8 C9 C10 F10B 167.0(7) . . . . ?
O4 C9 C10 F11B 110.1(8) . . . . ?
C8 C9 C10 F11B -70.0(8) . . . . ?
O4 C9 C10 F12B -128.9(8) . . . . ?
C8 C9 C10 F12B 51.0(9) . . . . ?
O4 C9 C10 F10A -179.0(3) . . . . ?
C8 C9 C10 F10A 0.9(4) . . . . ?
O4 C9 C10 F12A 56.9(3) . . . . ?
C8 C9 C10 F12A -123.2(3) . . . . ?
O4 C9 C10 F11A -57.8(3) . . . . ?
C8 C9 C10 F11A 122.1(3) . . . . ?
N4 N3 C11 O5 -168.9(2) . . . . ?
C21 N3 C11 O5 43.7(3) . . . . ?
N4 N3 C11 N2 11.2(3) . . . . ?
C21 N3 C11 N2 -136.1(2) . . . . ?
N1 N2 C11 O5 -153.4(2) . . . . ?
C18 N2 C11 O5 14.9(3) . . . . ?
N1 N2 C11 N3 26.5(3) . . . . ?
C18 N2 C11 N3 -165.31(19) . . . . ?
N2 N1 C12 N4 3.7(3) . . . . ?
Ru N1 C12 N4 -171.42(15) . . . . ?
N2 N1 C12 C13 -178.95(16) . . . . ?
Ru N1 C12 C13 5.9(2) . . . . ?
N3 N4 C12 N1 31.4(3) . . . . ?
C24 N4 C12 N1 -106.4(2) . . . . ?
N3 N4 C12 C13 -145.84(18) . . . . ?
C24 N4 C12 C13 76.4(3) . . . . ?
C17 N5 C13 C14 -2.0(3) . . . . ?
Ru N5 C13 C14 167.18(16) . . . . ?
C17 N5 C13 C12 178.25(18) . . . . ?
Ru N5 C13 C12 -12.5(2) . . . . ?
N1 C12 C13 N5 4.2(3) . . . . ?
N4 C12 C13 N5 -178.43(18) . . . . ?
N1 C12 C13 C14 -175.54(19) . . . . ?
N4 C12 C13 C14 1.9(3) . . . . ?
N5 C13 C14 C15 1.5(3) . . . . ?
C12 C13 C14 C15 -178.9(2) . . . . ?
C13 C14 C15 C16 0.2(3) . . . . ?
C14 C15 C16 C17 -1.2(4) . . . . ?
C13 N5 C17 C16 0.9(3) . . . . ?
Ru N5 C17 C16 -167.14(17) . . . . ?
C15 C16 C17 N5 0.7(4) . . . . ?
C11 N2 C18 C19 -63.8(3) . . . . ?
N1 N2 C18 C19 104.7(2) . . . . ?
C11 N2 C18 C20 61.5(3) . . . . ?
N1 N2 C18 C20 -130.0(2) . . . . ?
C11 N3 C21 C23 -140.9(2) . . . . ?
N4 N3 C21 C23 70.7(3) . . . . ?
C11 N3 C21 C22 94.2(2) . . . . ?
N4 N3 C21 C22 -54.2(3) . . . . ?
C12 N4 C24 C25 69.2(3) . . . . ?
N3 N4 C24 C25 -67.3(3) . . . . ?
N4 C24 C25 C30 -81.3(3) . . . . ?
N4 C24 C25 C26 101.9(3) . . . . ?
C30 C25 C26 C27 -0.9(5) . . . . ?
C24 C25 C26 C27 176.0(3) . . . . ?
C25 C26 C27 C28 0.4(6) . . . . ?
C26 C27 C28 C29 0.5(6) . . . . ?
C27 C28 C29 C30 -0.9(6) . . . . ?
C26 C25 C30 C29 0.4(5) . . . . ?
C24 C25 C30 C29 -176.5(3) . . . . ?
C28 C29 C30 C25 0.5(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.956
_diffrn_reflns_theta_full        67.88
_diffrn_measured_fraction_theta_full 0.956
_refine_diff_density_max         0.947
_refine_diff_density_min         -0.369
_refine_diff_density_rms         0.068
_database_code_depnum_ccdc_archive 'CCDC 1010823'
