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

data_global

_publ_contact_author_name        'Dr. Garry Hanan'
_publ_contact_author_address     
;
    Département de Chimie
    Université de Montréal
    C.P. 6128, Succ. Centre-ville
    Montréal, Québec
    Canada H3C 3J7

;


_publ_contact_author_phone       '+1 514 343 7056'
_publ_contact_author_fax         '+1 514 343 2468'
_publ_contact_author_email       garry.hanan@umontreal.ca
_publ_section_title              
;
amln79
;

# The loop structure below should contain the names and addresses of all
# authors, in the required order of publication. Repeat as necessary.

loop_
_publ_author_name
_publ_author_address


'Pal, Amlan K.'
;
       Département de Chimie
       Université de Montréal
       C.P. 6128, Succ. Centre-ville,
       Montréal, Québec
       Canada H3C 3J7
;
'Hanan, Garry S.'
;
       Département de Chimie
       Université de Montréal
       C.P. 6128, Succ. Centre-ville,
       Montréal, Québec
       Canada H3C 3J7
;



_publ_section_abstract           
;
 Here should be written a short abstract
;


_publ_section_comment            
;
 Here should be written the text  of the article
;





_publ_section_exptl_prep         
;
 Small details about the preparation of the compound.
;




_publ_section_exptl_refinement   
;

All non-H atoms were refined by full-matrix least-squares
with anisotropic displacement parameters. The H atoms were 
generated geometrically (C-H 0.95 to 0.98Å)
and were included in the refinement in the riding model approximation; 
their temperature factors were set to 1.5 times those of the 
equivalent isotropic temperature factors of the parent site (methyl) 
and 1.2 times for others. 


;


# start Validation Reply Form
_vrf_CHEMW03_Amln79              
;
PROBLEM:  The ratio of given/expected molecular weigh lies outside
RESPONSE: During the refinement of the structure,electron density peaks
were located and were believed to be a total of six severely disordered
solvated acetone molecules in four different sites in the unit-cell,
by counting the number of electrons suppressed (see _refine_special_details).
All the attempts made to model the solvent molecules were not successful
and they were removed using the SQUEEZE routine from PLATON (Spek, 2003).
The reported final sum formula contains all atoms that are most possibly
present in the crystal (and therefore contribute to the scattering).
;
_vrf_PLAT051_Amln79              
;
PROBLEM:  Mu(calc) and Mu(CIF) Ratio Differs from 1.0
RESPONSE: Due to the incorporation of disordered solvent molecules,
which were not modelled, into the final sum formula.
;
_vrf_PLAT041_Amln79              
;
PROBLEM:  calc. and reported sum formula strings differ
RESPONSE: Due to the incorporation of disordered solvent molecules,
which were not modelled, into the final sum formula.
;
_vrf_PLAT094_Amln79              
;
PROBLEM:  Ratio of maximum/minimum residual density
RESPONSE: peaks of 1.9-1.07 e/A^3 @ 1.09-1.07 A from F, and the
residual minimal disorders of the anions were not taken into account. 
;
_vrf_PLAT214_Amln79              
;
PROBLEM:  atom F10B ADP max/min ratio
RESPONSE: Comes from the normal high temperature behaviour of the anions.
Restraints were not applied not to increase the number of parameters.
;
_vrf_PLAT230_Amln79              
;
PROBLEM:  Hirsfield test diff
RESPONSE: Relevant atom sites were checked, and they were found to be in
accordance with the performed chemistry.
;
_vrf_PLAT244_Amln79              
;
PROBLEM:  Low   'Solvent' Ueq
RESPONSE: Comes from the normal high temperature behaviour of the anions.
;
_vrf_PLAT231_Amln79              
;
PROBLEM:  Low   'Solvent' Ueq
RESPONSE: Relevant atom sites were checked, and they were found to be in
accordance with the performed chemistry. Comes from the normal high
temperature behaviour of the anions.
;
_vrf_PLAT605_Amln79              
;
PROBLEM:  solvent accessible voids
RESPONSE: During the refinement of the structure,electron density peaks
were located and were believed to be a total of six severely disordered
solvated acetone molecules in four different sites in the unit-cell,
by counting the number of electrons suppressed (see _refine_special_details).
All the attempts made to model the solvent molecules were not successful
and they were removed using the SQUEEZE routine from PLATON (Spek, 2003).
;
_vrf_PLAT869_Amln79              
;
PROBLEM:  ALERTS Related to the use of SQUEEZE Suppressed
RESPONSE: same as PLAT605.
;
# end Validation Reply Form


_publ_section_table_legends      
;

;




_publ_section_acknowledgements   
;

;




_publ_section_references         
;

  APEX2 (2007) version 2.4-0; Bruker Molecular Analysis Research Tool.
  Bruker AXS Inc., Madison, WI 53719-1173. 

  Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122.

  Sheldrick, G.M. (2004). SADABS, Bruker Area Detector Absorption Corrections.
  Bruker AXS Inc., Madison, WI 53719-1173.

  SHELXTL (2001) version 6.12; Bruker Analytical X-ray Systems Inc., 
  Madison, WI 53719-1173. 

  Spek, A.L. (2008). PLATON, A Multipurpose Crystallographic Tool,
  Utrecht University, Utrecht, The Netherlands.

  Maris, T. (2004). UdMX, University of Montréal, Montréal, QC, Canada.

  XPREP (2005) Version 2005/2; X-ray data Preparation and Reciprocal space
  Exploration Program.  Bruker AXS Inc., Madison, WI 53719-1173.
;

# ========================================================
#                     STRUCTURAL DATA                     
# ========================================================      
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'

data_global
_journal_name_full               Chem.Commun.
_journal_coden_cambridge         0182
#TrackingRef '17349_web_deposit_cif_file_0_AmlanKumarPal_1359614598.Publish.cif'


_publ_contact_author_name        'Dr. Garry Hanan'
_publ_contact_author_address     
;
Département de Chimie
Université de Montréal
C.P. 6128, Succ. Centre-ville
Montréal, Québec
Canada H3C 3J7

;


_publ_contact_author_phone       '+1 514 340 5156'
_publ_contact_author_fax         '+1 514 343 7586'
_publ_contact_author_email       garry.hanan@umontreal.ca
_publ_section_title              
;
amln77
;

# The loop structure below should contain the names and addresses of all
# authors, in the required order of publication. Repeat as necessary.

loop_
_publ_author_name
_publ_author_address


'Pal, Amlan K.'
;
Département de Chimie
Université de Montréal
C.P. 6128, Succ. Centre-ville,
Montréal, Québec
Canada H3C 3J7
;
'Hanan, Garry S.'
;
Département de Chimie
Université de Montréal
C.P. 6128, Succ. Centre-ville,
Montréal, Québec
Canada H3C 3J7
;



_publ_section_abstract           
;
Here should be written a short abstract
;


_publ_section_comment            
;
Here should be written the text of the article
;





_publ_section_exptl_prep         
;
Small details about the preparation of the compound.
;




_publ_section_exptl_refinement   
;

All non-H atoms were refined by full-matrix least-squares
with anisotropic displacement parameters. The H atoms were
generated geometrically (C-H 0.95 to 0.98Å)
and were included in the refinement in the riding model approximation;
their temperature factors were set to 1.5 times those of the
equivalent isotropic temperature factors of the parent site (methyl)
and 1.2 times for others.


;


# start Validation Reply Form
_vrf_PLAT221_amln77              
;
PROBLEM: Large Solvent/Anion F Ueq(max)/Ueq(min)
RESPONSE: Comes from the normal high temperature behaviour of the anions.
;
_vrf_PLAT244_amln77              
;
PROBLEM: Low 'Solvent' Ueq
RESPONSE: Comes from the normal high temperature behaviour of the anions.
;
# end Validation Reply Form


_publ_section_table_legends      
;

;




_publ_section_acknowledgements   
;

;




_publ_section_references         
;

APEX2 (2007) version 2.4-0; Bruker Molecular Analysis Research Tool.
Bruker AXS Inc., Madison, WI 53719-1173.

Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122.

Sheldrick, G.M. (2004). SADABS, Bruker Area Detector Absorption Corrections.
Bruker AXS Inc., Madison, WI 53719-1173.

SHELXTL (2001) version 6.12; Bruker Analytical X-ray Systems Inc.,
Madison, WI 53719-1173.

Spek, A.L. (2008). PLATON, A Multipurpose Crystallographic Tool,
Utrecht University, Utrecht, The Netherlands.

Maris, T. (2004). UdMX, University of Montréal, Montréal, QC, Canada.

XPREP (2005) Version 2005/2; X-ray data Preparation and Reciprocal space
Exploration Program. Bruker AXS Inc., Madison, WI 53719-1173.
;

# ========================================================
# STRUCTURAL DATA
# ========================================================
data_amln77
#TrackingRef '17349_web_deposit_cif_file_0_AmlanKumarPal_1359614598.Publish.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C38 H54 N14 Ru, 3(F6 P), C3 H6 O'
_chemical_formula_sum            'C41 H60 F18 N14 O P3 Ru'
_chemical_formula_weight         1301.01

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           Orthorhombic
_symmetry_space_group_name_H-M   P2(1)2(1)2(1)
_symmetry_space_group_name_Hall  P2ac2ab

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

_cell_length_a                   12.30660(10)
_cell_length_b                   12.6126(2)
_cell_length_c                   32.4825(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     5041.88(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9450
_cell_measurement_theta_min      3.76
_cell_measurement_theta_max      70.89

_exptl_crystal_description       needle
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      1.714
_exptl_crystal_density_diffrn    1.714
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2652
_exptl_absorpt_coefficient_mu    4.487
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5931
_exptl_absorpt_correction_T_max  0.8409
_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_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            67140
_diffrn_reflns_av_R_equivalents  0.0296
_diffrn_reflns_av_sigmaI/netI    0.0265
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_theta_min         2.72
_diffrn_reflns_theta_max         71.15
_reflns_number_total             9693
_reflns_number_gt                9381
_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)+(0.0625P)²+5.3656P] 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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.006(7)
_refine_ls_number_reflns         9693
_refine_ls_number_parameters     717
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0378
_refine_ls_R_factor_gt           0.0367
_refine_ls_wR_factor_ref         0.0978
_refine_ls_wR_factor_gt          0.0964
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_restrained_S_all      1.025
_refine_ls_shift/su_max          0.003
_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 0.748024(19) 0.016378(15) 0.859029(6) 0.01550(7) Uani 1 1 d . . .
P1 P 0.73502(13) 0.63504(9) 0.75819(4) 0.0530(3) Uani 1 1 d . . .
P2 P 0.18201(8) 0.52561(9) 0.89219(3) 0.0330(2) Uani 1 1 d . . .
P3 P 0.74999(10) 0.58029(7) 0.03872(3) 0.02923(18) Uani 1 1 d . . .
F1 F 0.8541(4) 0.6637(5) 0.7652(2) 0.157(3) Uani 1 1 d . . .
F2 F 0.7218(7) 0.7394(3) 0.73278(19) 0.168(3) Uani 1 1 d . . .
F3 F 0.6985(6) 0.6937(5) 0.79822(19) 0.154(3) Uani 1 1 d . . .
F4 F 0.6118(4) 0.6051(5) 0.7496(2) 0.141(3) Uani 1 1 d . . .
F5 F 0.7514(5) 0.5269(3) 0.78111(16) 0.1108(15) Uani 1 1 d . . .
F6 F 0.7598(4) 0.5762(4) 0.71634(14) 0.1074(15) Uani 1 1 d . . .
F7A F 0.2928(4) 0.5414(5) 0.92111(18) 0.0475(13) Uani 0.60 1 d P A .
F7B F 0.2753(9) 0.4799(8) 0.9167(2) 0.068(3) Uani 0.40 1 d P A .
F8 F 0.2178(5) 0.6293(6) 0.87061(17) 0.169(4) Uani 1 1 d . A .
F9A F 0.1135(9) 0.5794(10) 0.9293(3) 0.044(3) Uani 0.45(3) 1 d P A 1
F9B F 0.1557(19) 0.6086(14) 0.9229(7) 0.104(7) Uani 0.55(3) 1 d P A 2
F10 F 0.0768(2) 0.5387(4) 0.86538(9) 0.0745(11) Uani 1 1 d . A .
F11 F 0.1452(7) 0.4270(4) 0.91596(12) 0.177(4) Uani 1 1 d . A .
F12A F 0.1785(8) 0.4163(6) 0.8613(2) 0.048(3) Uani 0.381(12) 1 d P A 1
F12B F 0.2571(6) 0.4815(7) 0.85762(13) 0.082(3) Uani 0.619(12) 1 d P A 2
F13 F 0.85641(19) 0.5871(2) 0.01016(7) 0.0404(6) Uani 1 1 d . . .
F14 F 0.7348(3) 0.7044(2) 0.03565(8) 0.0502(6) Uani 1 1 d . . .
F15 F 0.8242(2) 0.5921(2) 0.07886(8) 0.0453(6) Uani 1 1 d . . .
F16 F 0.6439(2) 0.5688(2) 0.06687(7) 0.0444(6) Uani 1 1 d . . .
F17 F 0.76514(19) 0.45279(18) 0.04105(7) 0.0349(5) Uani 1 1 d . . .
F18 F 0.67671(18) 0.5650(2) -0.00175(7) 0.0358(5) Uani 1 1 d . . .
O1 O 0.1377(4) 0.1370(5) 0.08895(16) 0.0939(17) Uani 1 1 d . . .
N1 N 0.8137(2) -0.1244(2) 0.87995(8) 0.0160(5) Uani 1 1 d . . .
N2 N 0.9711(2) -0.0993(2) 0.83938(9) 0.0217(6) Uani 1 1 d . . .
N3 N 0.9690(2) -0.0958(2) 0.76790(9) 0.0254(6) Uani 1 1 d . . .
N4 N 0.8206(2) -0.0267(2) 0.80463(8) 0.0204(5) Uani 1 1 d . . .
N5 N 0.6450(2) -0.1648(2) 0.90914(9) 0.0237(6) Uani 1 1 d . . .
N6 N 0.5005(2) -0.2169(2) 0.86816(10) 0.0282(7) Uani 1 1 d . . .
N7 N 0.6123(2) -0.0749(2) 0.84675(8) 0.0199(6) Uani 1 1 d . . .
N8 N 0.6792(2) 0.0647(2) 0.91378(8) 0.0171(5) Uani 1 1 d . . .
N9 N 0.8452(2) 0.0287(2) 0.94615(8) 0.0202(5) Uani 1 1 d . . .
N10 N 0.9961(2) 0.1371(2) 0.93748(9) 0.0255(6) Uani 1 1 d . . .
N11 N 0.8834(2) 0.0972(2) 0.88048(8) 0.0184(5) Uani 1 1 d . . .
N12 N 0.5243(2) 0.1275(2) 0.87888(8) 0.0199(5) Uani 1 1 d . . .
N13 N 0.5275(2) 0.2699(2) 0.83320(9) 0.0246(6) Uani 1 1 d . . .
N14 N 0.6779(2) 0.1549(2) 0.83744(8) 0.0184(5) Uani 1 1 d . . .
C1 C 0.9187(3) -0.1502(3) 0.87230(11) 0.0194(7) Uani 1 1 d . . .
C2 C 0.9732(3) -0.2236(3) 0.89679(11) 0.0244(7) Uani 1 1 d . . .
H2 H 1.0474 -0.2402 0.8918 0.029 Uiso 1 1 calc R . .
C3 C 0.9171(3) -0.2718(3) 0.92862(11) 0.0250(7) Uani 1 1 d . . .
H3 H 0.9545 -0.3175 0.9471 0.030 Uiso 1 1 calc R . .
C4 C 0.8072(3) -0.2540(3) 0.93375(11) 0.0246(7) Uani 1 1 d . . .
H4 H 0.7673 -0.2898 0.9546 0.030 Uiso 1 1 calc R . .
C5 C 0.7569(3) -0.1823(2) 0.90760(9) 0.0205(6) Uani 1 1 d . . .
C6 C 0.5817(3) -0.2072(3) 0.94388(12) 0.0286(8) Uani 1 1 d . . .
H6A H 0.5208 -0.1587 0.9503 0.034 Uiso 1 1 calc R . .
H6B H 0.6286 -0.2125 0.9686 0.034 Uiso 1 1 calc R . .
C7 C 0.5374(5) -0.3163(4) 0.93293(17) 0.0549(10) Uani 1 1 d . . .
H7A H 0.5979 -0.3678 0.9309 0.066 Uiso 1 1 calc R . .
H7B H 0.4869 -0.3408 0.9547 0.066 Uiso 1 1 calc R . .
C8 C 0.4805(5) -0.3102(4) 0.89366(17) 0.0549(10) Uani 1 1 d . . .
H8A H 0.4015 -0.3139 0.8993 0.066 Uiso 1 1 calc R . .
H8B H 0.4999 -0.3738 0.8774 0.066 Uiso 1 1 calc R . .
C9 C 0.4225(3) -0.2044(3) 0.83445(13) 0.0351(9) Uani 1 1 d . . .
H9A H 0.3484 -0.2214 0.8443 0.042 Uiso 1 1 calc R . .
H9B H 0.4408 -0.2538 0.8118 0.042 Uiso 1 1 calc R . .
C10 C 0.4262(3) -0.0911(3) 0.81896(12) 0.0303(8) Uani 1 1 d . . .
H10A H 0.3968 -0.0423 0.8401 0.036 Uiso 1 1 calc R . .
H10B H 0.3819 -0.0839 0.7937 0.036 Uiso 1 1 calc R . .
C11 C 0.5442(3) -0.0642(3) 0.80990(11) 0.0260(7) Uani 1 1 d . . .
H11A H 0.5719 -0.1119 0.7881 0.031 Uiso 1 1 calc R . .
H11B H 0.5489 0.0095 0.7995 0.031 Uiso 1 1 calc R . .
C12 C 0.5852(3) -0.1510(3) 0.87259(11) 0.0221(7) Uani 1 1 d . . .
C13 C 1.0884(3) -0.1176(3) 0.83395(11) 0.0252(7) Uani 1 1 d . . .
H13A H 1.1227 -0.1339 0.8608 0.030 Uiso 1 1 calc R . .
H13B H 1.1235 -0.0535 0.8224 0.030 Uiso 1 1 calc R . .
C14 C 1.1018(3) -0.2106(3) 0.80459(11) 0.0281(7) Uani 1 1 d . . .
H14A H 1.0606 -0.2729 0.8146 0.034 Uiso 1 1 calc R . .
H14B H 1.1794 -0.2305 0.8021 0.034 Uiso 1 1 calc R . .
C15 C 1.0575(3) -0.1728(3) 0.76337(11) 0.0311(8) Uani 1 1 d . . .
H15A H 1.1171 -0.1400 0.7474 0.037 Uiso 1 1 calc R . .
H15B H 1.0306 -0.2347 0.7476 0.037 Uiso 1 1 calc R . .
C16 C 0.9357(3) -0.0515(4) 0.72786(11) 0.0339(8) Uani 1 1 d . . .
H16A H 0.9067 -0.1088 0.7102 0.041 Uiso 1 1 calc R . .
H16B H 0.9996 -0.0202 0.7139 0.041 Uiso 1 1 calc R . .
C17 C 0.8504(3) 0.0319(3) 0.73379(11) 0.0313(8) Uani 1 1 d . . .
H17A H 0.8143 0.0478 0.7072 0.038 Uiso 1 1 calc R . .
H17B H 0.8838 0.0980 0.7443 0.038 Uiso 1 1 calc R . .
C18 C 0.7676(3) -0.0101(3) 0.76467(10) 0.0251(7) Uani 1 1 d . . .
H18A H 0.7074 0.0413 0.7677 0.030 Uiso 1 1 calc R . .
H18B H 0.7369 -0.0779 0.7546 0.030 Uiso 1 1 calc R . .
C19 C 0.9158(3) -0.0746(3) 0.80297(10) 0.0213(7) Uani 1 1 d . . .
C20 C 0.5733(3) 0.0954(3) 0.91559(11) 0.0210(7) Uani 1 1 d . . .
C21 C 0.5165(3) 0.0934(3) 0.95230(11) 0.0256(7) Uani 1 1 d . . .
H21 H 0.4420 0.1133 0.9532 0.031 Uiso 1 1 calc R . .
C22 C 0.5693(3) 0.0621(3) 0.98746(11) 0.0262(7) Uani 1 1 d . . .
H22 H 0.5297 0.0548 1.0124 0.031 Uiso 1 1 calc R . .
C23 C 0.6796(3) 0.0411(3) 0.98697(10) 0.0246(7) Uani 1 1 d . . .
H23 H 0.7175 0.0239 1.0115 0.030 Uiso 1 1 calc R . .
C24 C 0.7329(3) 0.0460(2) 0.94933(9) 0.0197(6) Uani 1 1 d . . .
C25 C 0.9026(3) -0.0119(3) 0.98300(10) 0.0249(7) Uani 1 1 d . . .
H25A H 0.9664 -0.0546 0.9746 0.030 Uiso 1 1 calc R . .
H25B H 0.8534 -0.0577 0.9993 0.030 Uiso 1 1 calc R . .
C26 C 0.9389(3) 0.0820(3) 1.00859(11) 0.0300(8) Uani 1 1 d . . .
H26A H 0.9757 0.0575 1.0340 0.036 Uiso 1 1 calc R . .
H26B H 0.8755 0.1258 1.0165 0.036 Uiso 1 1 calc R . .
C27 C 1.0173(3) 0.1463(3) 0.98200(11) 0.0301(8) Uani 1 1 d . . .
H27A H 1.0122 0.2219 0.9900 0.036 Uiso 1 1 calc R . .
H27B H 1.0924 0.1223 0.9876 0.036 Uiso 1 1 calc R . .
C28 C 1.0780(3) 0.1929(3) 0.91259(12) 0.0319(8) Uani 1 1 d . . .
H28A H 1.1513 0.1791 0.9240 0.038 Uiso 1 1 calc R . .
H28B H 1.0645 0.2702 0.9138 0.038 Uiso 1 1 calc R . .
C29 C 1.0736(3) 0.1563(3) 0.86872(12) 0.0294(8) Uani 1 1 d . . .
H29A H 1.1009 0.0827 0.8666 0.035 Uiso 1 1 calc R . .
H29B H 1.1197 0.2024 0.8513 0.035 Uiso 1 1 calc R . .
C30 C 0.9558(3) 0.1616(3) 0.85421(11) 0.0240(7) Uani 1 1 d . . .
H30A H 0.9311 0.2363 0.8546 0.029 Uiso 1 1 calc R . .
H30B H 0.9513 0.1358 0.8255 0.029 Uiso 1 1 calc R . .
C31 C 0.9099(3) 0.0908(3) 0.91978(11) 0.0198(7) Uani 1 1 d . . .
C32 C 0.4056(3) 0.1469(3) 0.87865(11) 0.0233(7) Uani 1 1 d . . .
H32A H 0.3696 0.1018 0.8996 0.028 Uiso 1 1 calc R . .
H32B H 0.3750 0.1292 0.8513 0.028 Uiso 1 1 calc R . .
C33 C 0.3864(3) 0.2629(3) 0.88827(11) 0.0277(7) Uani 1 1 d . . .
H33A H 0.4229 0.2827 0.9143 0.033 Uiso 1 1 calc R . .
H33B H 0.3077 0.2774 0.8910 0.033 Uiso 1 1 calc R . .
C34 C 0.4338(3) 0.3249(3) 0.85252(12) 0.0283(7) Uani 1 1 d . . .
H34A H 0.3767 0.3362 0.8315 0.034 Uiso 1 1 calc R . .
H34B H 0.4577 0.3954 0.8625 0.034 Uiso 1 1 calc R . .
C35 C 0.5648(3) 0.3246(3) 0.79617(12) 0.0327(8) Uani 1 1 d . . .
H35A H 0.5907 0.3964 0.8036 0.039 Uiso 1 1 calc R . .
H35B H 0.5033 0.3325 0.7767 0.039 Uiso 1 1 calc R . .
C36 C 0.6554(3) 0.2640(3) 0.77554(12) 0.0320(8) Uani 1 1 d . . .
H36A H 0.6938 0.3102 0.7557 0.038 Uiso 1 1 calc R . .
H36B H 0.6255 0.2024 0.7604 0.038 Uiso 1 1 calc R . .
C37 C 0.7333(3) 0.2267(3) 0.80859(10) 0.0235(7) Uani 1 1 d . . .
H37A H 0.7953 0.1894 0.7957 0.028 Uiso 1 1 calc R . .
H37B H 0.7621 0.2887 0.8238 0.028 Uiso 1 1 calc R . .
C38 C 0.5804(3) 0.1865(3) 0.84924(10) 0.0197(7) Uani 1 1 d . . .
C39 C 0.2829(5) 0.0297(5) 0.1102(2) 0.0715(10) Uani 1 1 d . . .
H39A H 0.2299 0.0032 0.1303 0.107 Uiso 1 1 calc R . .
H39B H 0.3450 0.0607 0.1248 0.107 Uiso 1 1 calc R . .
H39C H 0.3080 -0.0290 0.0929 0.107 Uiso 1 1 calc R . .
C40 C 0.2319(6) 0.1105(5) 0.0844(2) 0.0715(10) Uani 1 1 d . . .
C41 C 0.2978(6) 0.1597(5) 0.0520(2) 0.0715(10) Uani 1 1 d . . .
H41A H 0.2542 0.2126 0.0373 0.107 Uiso 1 1 calc R . .
H41B H 0.3222 0.1051 0.0326 0.107 Uiso 1 1 calc R . .
H41C H 0.3612 0.1943 0.0644 0.107 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
Ru1 N4 2.053(3) . ?
Ru1 N8 2.062(2) . ?
Ru1 N1 2.066(2) . ?
Ru1 N7 2.067(3) . ?
Ru1 N14 2.071(3) . ?
Ru1 N11 2.074(3) . ?
P1 F1 1.527(5) . ?
P1 F2 1.562(5) . ?
P1 F3 1.562(5) . ?
P1 F5 1.568(4) . ?
P1 F6 1.578(4) . ?
P1 F4 1.587(5) . ?
P2 F9B 1.482(11) . ?
P2 F7B 1.512(7) . ?
P2 F11 1.532(4) . ?
P2 F8 1.548(5) . ?
P2 F12B 1.557(4) . ?
P2 F10 1.569(3) . ?
P2 F9A 1.621(8) . ?
P2 F7A 1.667(5) . ?
P2 F12A 1.705(6) . ?
P3 F14 1.580(3) . ?
P3 F15 1.599(2) . ?
P3 F16 1.601(3) . ?
P3 F18 1.606(2) . ?
P3 F13 1.607(3) . ?
P3 F17 1.621(2) . ?
F7A F7B 0.817(10) . ?
F7B F11 1.735(14) . ?
O1 C40 1.216(8) . ?
N1 C5 1.352(4) . ?
N1 C1 1.356(4) . ?
N2 C19 1.399(4) . ?
N2 C1 1.404(5) . ?
N2 C13 1.473(4) . ?
N3 C19 1.341(4) . ?
N3 C15 1.466(5) . ?
N3 C16 1.474(5) . ?
N4 C19 1.320(5) . ?
N4 C18 1.468(4) . ?
N5 C5 1.397(5) . ?
N5 C12 1.408(5) . ?
N5 C6 1.472(4) . ?
N6 C12 1.341(5) . ?
N6 C8 1.460(5) . ?
N6 C9 1.465(5) . ?
N7 C12 1.318(5) . ?
N7 C11 1.468(4) . ?
N8 C24 1.351(4) . ?
N8 C20 1.361(4) . ?
N9 C24 1.403(4) . ?
N9 C31 1.408(5) . ?
N9 C25 1.481(4) . ?
N10 C31 1.339(5) . ?
N10 C28 1.472(5) . ?
N10 C27 1.474(5) . ?
N11 C31 1.320(4) . ?
N11 C30 1.477(4) . ?
N12 C20 1.396(4) . ?
N12 C38 1.398(4) . ?
N12 C32 1.481(4) . ?
N13 C38 1.342(4) . ?
N13 C35 1.460(5) . ?
N13 C34 1.484(4) . ?
N14 C38 1.321(4) . ?
N14 C37 1.472(4) . ?
C1 C2 1.393(5) . ?
C2 C3 1.384(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.381(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.386(5) . ?
C4 H4 0.9500 . ?
C6 C7 1.522(6) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.457(7) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.516(5) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.520(5) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C13 C14 1.521(5) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.523(5) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.499(5) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.525(5) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C20 C21 1.383(5) . ?
C21 C22 1.372(5) . ?
C21 H21 0.9500 . ?
C22 C23 1.382(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.389(4) . ?
C23 H23 0.9500 . ?
C25 C26 1.515(5) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.528(6) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.499(6) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.526(5) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C32 C33 1.515(5) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.517(5) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.509(5) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.514(5) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C39 C40 1.462(9) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C41 1.466(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

N4 Ru1 N8 177.74(10) . . ?
N4 Ru1 N1 83.47(10) . . ?
N8 Ru1 N1 97.51(10) . . ?
N4 Ru1 N7 92.17(10) . . ?
N8 Ru1 N7 89.95(10) . . ?
N1 Ru1 N7 84.34(10) . . ?
N4 Ru1 N14 96.48(10) . . ?
N8 Ru1 N14 82.60(10) . . ?
N1 Ru1 N14 178.14(10) . . ?
N7 Ru1 N14 93.81(10) . . ?
N4 Ru1 N11 93.95(10) . . ?
N8 Ru1 N11 84.03(10) . . ?
N1 Ru1 N11 89.86(10) . . ?
N7 Ru1 N11 171.04(10) . . ?
N14 Ru1 N11 92.00(11) . . ?
F1 P1 F3 92.1(4) . . ?
F1 P1 F2 88.9(3) . . ?
F3 P1 F2 90.6(4) . . ?
F1 P1 F5 90.4(3) . . ?
F3 P1 F5 93.2(3) . . ?
F2 P1 F5 176.2(3) . . ?
F1 P1 F6 93.1(4) . . ?
F3 P1 F6 174.5(3) . . ?
F2 P1 F6 87.8(3) . . ?
F5 P1 F6 88.5(3) . . ?
F1 P1 F4 178.6(4) . . ?
F3 P1 F4 89.3(3) . . ?
F2 P1 F4 90.6(4) . . ?
F5 P1 F4 90.0(3) . . ?
F6 P1 F4 85.5(3) . . ?
F9B P2 F7B 94.9(4) . . ?
F9B P2 F11 99.7(12) . . ?
F7B P2 F11 69.8(6) . . ?
F9B P2 F8 76.7(12) . . ?
F7B P2 F8 109.9(5) . . ?
F11 P2 F8 176.3(4) . . ?
F9B P2 F12B 150.1(13) . . ?
F7B P2 F12B 77.7(4) . . ?
F11 P2 F12B 104.6(4) . . ?
F8 P2 F12B 78.8(4) . . ?
F9B P2 F10 96.6(4) . . ?
F7B P2 F10 163.8(5) . . ?
F11 P2 F10 97.0(3) . . ?
F8 P2 F10 83.9(2) . . ?
F12B P2 F10 97.4(3) . . ?
F7B P2 F9A 99.6(5) . . ?
F11 P2 F9A 79.0(5) . . ?
F8 P2 F9A 97.6(5) . . ?
F12B P2 F9A 174.3(6) . . ?
F10 P2 F9A 86.5(4) . . ?
F9B P2 F7A 73.6(6) . . ?
F11 P2 F7A 93.0(3) . . ?
F8 P2 F7A 85.6(2) . . ?
F12B P2 F7A 87.9(4) . . ?
F10 P2 F7A 167.0(3) . . ?
F9A P2 F7A 87.4(5) . . ?
F9B P2 F12A 163.9(12) . . ?
F7B P2 F12A 91.3(4) . . ?
F11 P2 F12A 68.6(4) . . ?
F8 P2 F12A 115.0(4) . . ?
F12B P2 F12A 45.9(3) . . ?
F10 P2 F12A 74.7(3) . . ?
F9A P2 F12A 139.7(6) . . ?
F7A P2 F12A 116.8(3) . . ?
F14 P3 F15 91.47(14) . . ?
F14 P3 F16 91.82(16) . . ?
F15 P3 F16 90.53(14) . . ?
F14 P3 F18 90.10(14) . . ?
F15 P3 F18 178.35(15) . . ?
F16 P3 F18 89.95(13) . . ?
F14 P3 F13 90.27(15) . . ?
F15 P3 F13 89.99(14) . . ?
F16 P3 F13 177.84(15) . . ?
F18 P3 F13 89.48(13) . . ?
F14 P3 F17 179.01(13) . . ?
F15 P3 F17 89.33(13) . . ?
F16 P3 F17 88.75(14) . . ?
F18 P3 F17 89.10(12) . . ?
F13 P3 F17 89.15(14) . . ?
F7B F7A P2 64.5(6) . . ?
F7A F7B P2 86.4(7) . . ?
F7A F7B F11 127.2(9) . . ?
P2 F7B F11 55.7(4) . . ?
P2 F11 F7B 54.5(3) . . ?
C5 N1 C1 118.9(3) . . ?
C5 N1 Ru1 118.8(2) . . ?
C1 N1 Ru1 121.3(2) . . ?
C19 N2 C1 121.5(3) . . ?
C19 N2 C13 114.2(3) . . ?
C1 N2 C13 118.0(3) . . ?
C19 N3 C15 125.4(3) . . ?
C19 N3 C16 122.6(3) . . ?
C15 N3 C16 111.7(3) . . ?
C19 N4 C18 115.1(3) . . ?
C19 N4 Ru1 122.7(2) . . ?
C18 N4 Ru1 122.1(2) . . ?
C5 N5 C12 120.3(3) . . ?
C5 N5 C6 119.6(3) . . ?
C12 N5 C6 114.4(3) . . ?
C12 N6 C8 124.8(3) . . ?
C12 N6 C9 121.3(3) . . ?
C8 N6 C9 113.6(3) . . ?
C12 N7 C11 116.1(3) . . ?
C12 N7 Ru1 119.2(2) . . ?
C11 N7 Ru1 124.6(2) . . ?
C24 N8 C20 118.7(3) . . ?
C24 N8 Ru1 119.1(2) . . ?
C20 N8 Ru1 120.9(2) . . ?
C24 N9 C31 121.0(3) . . ?
C24 N9 C25 117.6(2) . . ?
C31 N9 C25 114.5(3) . . ?
C31 N10 C28 121.2(3) . . ?
C31 N10 C27 126.4(3) . . ?
C28 N10 C27 112.3(3) . . ?
C31 N11 C30 116.2(3) . . ?
C31 N11 Ru1 119.5(2) . . ?
C30 N11 Ru1 124.3(2) . . ?
C20 N12 C38 122.0(3) . . ?
C20 N12 C32 118.5(3) . . ?
C38 N12 C32 113.4(3) . . ?
C38 N13 C35 122.3(3) . . ?
C38 N13 C34 125.5(3) . . ?
C35 N13 C34 111.9(3) . . ?
C38 N14 C37 114.8(3) . . ?
C38 N14 Ru1 122.5(2) . . ?
C37 N14 Ru1 122.7(2) . . ?
N1 C1 C2 120.9(3) . . ?
N1 C1 N2 117.8(3) . . ?
C2 C1 N2 121.3(3) . . ?
C3 C2 C1 118.7(3) . . ?
C3 C2 H2 120.6 . . ?
C1 C2 H2 120.6 . . ?
C4 C3 C2 120.4(3) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C3 C4 C5 117.9(3) . . ?
C3 C4 H4 121.0 . . ?
C5 C4 H4 121.0 . . ?
N1 C5 C4 122.0(3) . . ?
N1 C5 N5 116.5(3) . . ?
C4 C5 N5 121.4(3) . . ?
N5 C6 C7 109.8(3) . . ?
N5 C6 H6A 109.7 . . ?
C7 C6 H6A 109.7 . . ?
N5 C6 H6B 109.7 . . ?
C7 C6 H6B 109.7 . . ?
H6A C6 H6B 108.2 . . ?
C8 C7 C6 109.4(3) . . ?
C8 C7 H7A 109.8 . . ?
C6 C7 H7A 109.8 . . ?
C8 C7 H7B 109.8 . . ?
C6 C7 H7B 109.8 . . ?
H7A C7 H7B 108.2 . . ?
N6 C8 C7 117.0(4) . . ?
N6 C8 H8A 108.0 . . ?
C7 C8 H8A 108.0 . . ?
N6 C8 H8B 108.0 . . ?
C7 C8 H8B 108.0 . . ?
H8A C8 H8B 107.3 . . ?
N6 C9 C10 109.3(3) . . ?
N6 C9 H9A 109.8 . . ?
C10 C9 H9A 109.8 . . ?
N6 C9 H9B 109.8 . . ?
C10 C9 H9B 109.8 . . ?
H9A C9 H9B 108.3 . . ?
C9 C10 C11 107.8(3) . . ?
C9 C10 H10A 110.1 . . ?
C11 C10 H10A 110.1 . . ?
C9 C10 H10B 110.1 . . ?
C11 C10 H10B 110.1 . . ?
H10A C10 H10B 108.5 . . ?
N7 C11 C10 111.5(3) . . ?
N7 C11 H11A 109.3 . . ?
C10 C11 H11A 109.3 . . ?
N7 C11 H11B 109.3 . . ?
C10 C11 H11B 109.3 . . ?
H11A C11 H11B 108.0 . . ?
N7 C12 N6 125.6(3) . . ?
N7 C12 N5 119.6(3) . . ?
N6 C12 N5 114.7(3) . . ?
N2 C13 C14 107.7(3) . . ?
N2 C13 H13A 110.2 . . ?
C14 C13 H13A 110.2 . . ?
N2 C13 H13B 110.2 . . ?
C14 C13 H13B 110.2 . . ?
H13A C13 H13B 108.5 . . ?
C13 C14 C15 105.5(3) . . ?
C13 C14 H14A 110.6 . . ?
C15 C14 H14A 110.6 . . ?
C13 C14 H14B 110.6 . . ?
C15 C14 H14B 110.6 . . ?
H14A C14 H14B 108.8 . . ?
N3 C15 C14 112.7(3) . . ?
N3 C15 H15A 109.0 . . ?
C14 C15 H15A 109.0 . . ?
N3 C15 H15B 109.0 . . ?
C14 C15 H15B 109.0 . . ?
H15A C15 H15B 107.8 . . ?
N3 C16 C17 110.4(3) . . ?
N3 C16 H16A 109.6 . . ?
C17 C16 H16A 109.6 . . ?
N3 C16 H16B 109.6 . . ?
C17 C16 H16B 109.6 . . ?
H16A C16 H16B 108.1 . . ?
C16 C17 C18 108.0(3) . . ?
C16 C17 H17A 110.1 . . ?
C18 C17 H17A 110.1 . . ?
C16 C17 H17B 110.1 . . ?
C18 C17 H17B 110.1 . . ?
H17A C17 H17B 108.4 . . ?
N4 C18 C17 109.8(3) . . ?
N4 C18 H18A 109.7 . . ?
C17 C18 H18A 109.7 . . ?
N4 C18 H18B 109.7 . . ?
C17 C18 H18B 109.7 . . ?
H18A C18 H18B 108.2 . . ?
N4 C19 N3 123.9(3) . . ?
N4 C19 N2 120.1(3) . . ?
N3 C19 N2 115.9(3) . . ?
N8 C20 C21 120.9(3) . . ?
N8 C20 N12 117.4(3) . . ?
C21 C20 N12 121.7(3) . . ?
C22 C21 C20 119.0(3) . . ?
C22 C21 H21 120.5 . . ?
C20 C21 H21 120.5 . . ?
C21 C22 C23 120.7(3) . . ?
C21 C22 H22 119.7 . . ?
C23 C22 H22 119.7 . . ?
C22 C23 C24 117.7(3) . . ?
C22 C23 H23 121.1 . . ?
C24 C23 H23 121.1 . . ?
N8 C24 C23 122.1(3) . . ?
N8 C24 N9 116.4(3) . . ?
C23 C24 N9 121.5(3) . . ?
N9 C25 C26 108.4(3) . . ?
N9 C25 H25A 110.0 . . ?
C26 C25 H25A 110.0 . . ?
N9 C25 H25B 110.0 . . ?
C26 C25 H25B 110.0 . . ?
H25A C25 H25B 108.4 . . ?
C25 C26 C27 106.9(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 . . ?
N10 C27 C26 113.6(3) . . ?
N10 C27 H27A 108.8 . . ?
C26 C27 H27A 108.8 . . ?
N10 C27 H27B 108.8 . . ?
C26 C27 H27B 108.8 . . ?
H27A C27 H27B 107.7 . . ?
N10 C28 C29 110.3(3) . . ?
N10 C28 H28A 109.6 . . ?
C29 C28 H28A 109.6 . . ?
N10 C28 H28B 109.6 . . ?
C29 C28 H28B 109.6 . . ?
H28A C28 H28B 108.1 . . ?
C28 C29 C30 108.4(3) . . ?
C28 C29 H29A 110.0 . . ?
C30 C29 H29A 110.0 . . ?
C28 C29 H29B 110.0 . . ?
C30 C29 H29B 110.0 . . ?
H29A C29 H29B 108.4 . . ?
N11 C30 C29 111.7(3) . . ?
N11 C30 H30A 109.3 . . ?
C29 C30 H30A 109.3 . . ?
N11 C30 H30B 109.3 . . ?
C29 C30 H30B 109.3 . . ?
H30A C30 H30B 107.9 . . ?
N11 C31 N10 125.6(3) . . ?
N11 C31 N9 118.9(3) . . ?
N10 C31 N9 115.5(3) . . ?
N12 C32 C33 108.1(3) . . ?
N12 C32 H32A 110.1 . . ?
C33 C32 H32A 110.1 . . ?
N12 C32 H32B 110.1 . . ?
C33 C32 H32B 110.1 . . ?
H32A C32 H32B 108.4 . . ?
C32 C33 C34 106.3(3) . . ?
C32 C33 H33A 110.5 . . ?
C34 C33 H33A 110.5 . . ?
C32 C33 H33B 110.5 . . ?
C34 C33 H33B 110.5 . . ?
H33A C33 H33B 108.7 . . ?
N13 C34 C33 112.4(3) . . ?
N13 C34 H34A 109.1 . . ?
C33 C34 H34A 109.1 . . ?
N13 C34 H34B 109.1 . . ?
C33 C34 H34B 109.1 . . ?
H34A C34 H34B 107.9 . . ?
N13 C35 C36 111.0(3) . . ?
N13 C35 H35A 109.4 . . ?
C36 C35 H35A 109.4 . . ?
N13 C35 H35B 109.4 . . ?
C36 C35 H35B 109.4 . . ?
H35A C35 H35B 108.0 . . ?
C35 C36 C37 108.4(3) . . ?
C35 C36 H36A 110.0 . . ?
C37 C36 H36A 110.0 . . ?
C35 C36 H36B 110.0 . . ?
C37 C36 H36B 110.0 . . ?
H36A C36 H36B 108.4 . . ?
N14 C37 C36 110.2(3) . . ?
N14 C37 H37A 109.6 . . ?
C36 C37 H37A 109.6 . . ?
N14 C37 H37B 109.6 . . ?
C36 C37 H37B 109.6 . . ?
H37A C37 H37B 108.1 . . ?
N14 C38 N13 124.6(3) . . ?
N14 C38 N12 119.1(3) . . ?
N13 C38 N12 116.2(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 C39 122.7(6) . . ?
O1 C40 C41 120.2(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












F9B P2 F7A F7B 134.6(16) . . . . ?
F11 P2 F7A F7B 35.3(10) . . . . ?
F8 P2 F7A F7B -148.0(10) . . . . ?
F12B P2 F7A F7B -69.0(10) . . . . ?
F10 P2 F7A F7B 176.7(10) . . . . ?
F9A P2 F7A F7B 114.2(10) . . . . ?
F12A P2 F7A F7B -32.1(11) . . . . ?
P2 F7A F7B F11 -40.1(8) . . . . ?
F9B P2 F7B F7A -43.2(16) . . . . ?
F11 P2 F7B F7A -141.9(10) . . . . ?
F8 P2 F7B F7A 34.3(10) . . . . ?
F12B P2 F7B F7A 107.5(11) . . . . ?
F10 P2 F7B F7A -177.3(7) . . . . ?
F9A P2 F7B F7A -67.4(11) . . . . ?
F12A P2 F7B F7A 151.7(10) . . . . ?
F9B P2 F7B F11 98.7(13) . . . . ?
F8 P2 F7B F11 176.2(4) . . . . ?
F12B P2 F7B F11 -110.5(5) . . . . ?
F10 P2 F7B F11 -35.4(14) . . . . ?
F9A P2 F7B F11 74.5(6) . . . . ?
F7A P2 F7B F11 141.9(10) . . . . ?
F12A P2 F7B F11 -66.4(5) . . . . ?
F9B P2 F11 F7B -91.3(6) . . . . ?
F12B P2 F11 F7B 71.1(4) . . . . ?
F10 P2 F11 F7B 170.5(3) . . . . ?
F9A P2 F11 F7B -104.4(6) . . . . ?
F7A P2 F11 F7B -17.6(4) . . . . ?
F12A P2 F11 F7B 99.9(5) . . . . ?
F7A F7B F11 P2 50.9(12) . . . . ?
N4 Ru1 N1 C5 -144.4(2) . . . . ?
N8 Ru1 N1 C5 37.7(2) . . . . ?
N7 Ru1 N1 C5 -51.5(2) . . . . ?
N11 Ru1 N1 C5 121.6(2) . . . . ?
N4 Ru1 N1 C1 47.2(3) . . . . ?
N8 Ru1 N1 C1 -130.7(3) . . . . ?
N7 Ru1 N1 C1 140.1(3) . . . . ?
N11 Ru1 N1 C1 -46.8(3) . . . . ?
N1 Ru1 N4 C19 -37.0(3) . . . . ?
N7 Ru1 N4 C19 -121.1(3) . . . . ?
N14 Ru1 N4 C19 144.8(3) . . . . ?
N11 Ru1 N4 C19 52.4(3) . . . . ?
N1 Ru1 N4 C18 140.3(3) . . . . ?
N7 Ru1 N4 C18 56.3(3) . . . . ?
N14 Ru1 N4 C18 -37.9(3) . . . . ?
N11 Ru1 N4 C18 -130.3(3) . . . . ?
N4 Ru1 N7 C12 120.8(3) . . . . ?
N8 Ru1 N7 C12 -59.9(3) . . . . ?
N1 Ru1 N7 C12 37.6(3) . . . . ?
N14 Ru1 N7 C12 -142.5(3) . . . . ?
N4 Ru1 N7 C11 -56.8(3) . . . . ?
N8 Ru1 N7 C11 122.5(3) . . . . ?
N1 Ru1 N7 C11 -139.9(3) . . . . ?
N14 Ru1 N7 C11 39.9(3) . . . . ?
N1 Ru1 N8 C24 37.7(2) . . . . ?
N7 Ru1 N8 C24 122.0(2) . . . . ?
N14 Ru1 N8 C24 -144.1(2) . . . . ?
N11 Ru1 N8 C24 -51.4(2) . . . . ?
N1 Ru1 N8 C20 -129.2(3) . . . . ?
N7 Ru1 N8 C20 -44.9(3) . . . . ?
N14 Ru1 N8 C20 49.0(3) . . . . ?
N11 Ru1 N8 C20 141.7(3) . . . . ?
N4 Ru1 N11 C31 -141.0(3) . . . . ?
N8 Ru1 N11 C31 40.0(3) . . . . ?
N1 Ru1 N11 C31 -57.6(3) . . . . ?
N14 Ru1 N11 C31 122.4(3) . . . . ?
N4 Ru1 N11 C30 37.7(3) . . . . ?
N8 Ru1 N11 C30 -141.3(3) . . . . ?
N1 Ru1 N11 C30 121.1(3) . . . . ?
N14 Ru1 N11 C30 -58.9(3) . . . . ?
N4 Ru1 N14 C38 142.3(3) . . . . ?
N8 Ru1 N14 C38 -39.8(3) . . . . ?
N7 Ru1 N14 C38 49.7(3) . . . . ?
N11 Ru1 N14 C38 -123.4(3) . . . . ?
N4 Ru1 N14 C37 -39.1(3) . . . . ?
N8 Ru1 N14 C37 138.8(3) . . . . ?
N7 Ru1 N14 C37 -131.7(3) . . . . ?
N11 Ru1 N14 C37 55.2(3) . . . . ?
C5 N1 C1 C2 -10.1(5) . . . . ?
Ru1 N1 C1 C2 158.2(3) . . . . ?
C5 N1 C1 N2 170.9(3) . . . . ?
Ru1 N1 C1 N2 -20.7(4) . . . . ?
C19 N2 C1 N1 -36.5(5) . . . . ?
C13 N2 C1 N1 173.0(3) . . . . ?
C19 N2 C1 C2 144.5(3) . . . . ?
C13 N2 C1 C2 -6.0(5) . . . . ?
N1 C1 C2 C3 1.6(5) . . . . ?
N2 C1 C2 C3 -179.5(3) . . . . ?
C1 C2 C3 C4 5.3(5) . . . . ?
C2 C3 C4 C5 -3.5(5) . . . . ?
C1 N1 C5 C4 12.1(5) . . . . ?
Ru1 N1 C5 C4 -156.5(2) . . . . ?
C1 N1 C5 N5 -169.1(3) . . . . ?
Ru1 N1 C5 N5 22.2(4) . . . . ?
C3 C4 C5 N1 -5.3(5) . . . . ?
C3 C4 C5 N5 176.0(3) . . . . ?
C12 N5 C5 N1 40.9(4) . . . . ?
C6 N5 C5 N1 -167.0(3) . . . . ?
C12 N5 C5 C4 -140.4(3) . . . . ?
C6 N5 C5 C4 11.7(5) . . . . ?
C5 N5 C6 C7 -92.5(4) . . . . ?
C12 N5 C6 C7 61.1(4) . . . . ?
N5 C6 C7 C8 -52.0(6) . . . . ?
C6 C7 C8 N6 16.0(8) . . . . ?
C12 N6 C8 C7 17.6(8) . . . . ?
C9 N6 C8 C7 -166.4(5) . . . . ?
C12 N6 C9 C10 -22.2(5) . . . . ?
C8 N6 C9 C10 161.7(4) . . . . ?
N6 C9 C10 C11 51.7(4) . . . . ?
C12 N7 C11 C10 34.2(4) . . . . ?
Ru1 N7 C11 C10 -148.1(3) . . . . ?
C9 C10 C11 N7 -59.3(4) . . . . ?
C11 N7 C12 N6 -1.2(5) . . . . ?
Ru1 N7 C12 N6 -179.0(3) . . . . ?
C11 N7 C12 N5 -178.5(3) . . . . ?
Ru1 N7 C12 N5 3.7(4) . . . . ?
C8 N6 C12 N7 170.7(4) . . . . ?
C9 N6 C12 N7 -5.0(6) . . . . ?
C8 N6 C12 N5 -11.9(6) . . . . ?
C9 N6 C12 N5 172.4(3) . . . . ?
C5 N5 C12 N7 -57.1(5) . . . . ?
C6 N5 C12 N7 149.5(3) . . . . ?
C5 N5 C12 N6 125.3(3) . . . . ?
C6 N5 C12 N6 -28.1(4) . . . . ?
C19 N2 C13 C14 -60.4(4) . . . . ?
C1 N2 C13 C14 92.2(4) . . . . ?
N2 C13 C14 C15 65.7(4) . . . . ?
C19 N3 C15 C14 -12.8(5) . . . . ?
C16 N3 C15 C14 173.6(3) . . . . ?
C13 C14 C15 N3 -31.3(4) . . . . ?
C19 N3 C16 C17 9.9(5) . . . . ?
C15 N3 C16 C17 -176.3(3) . . . . ?
N3 C16 C17 C18 -44.7(4) . . . . ?
C19 N4 C18 C17 -45.1(4) . . . . ?
Ru1 N4 C18 C17 137.3(2) . . . . ?
C16 C17 C18 N4 63.4(4) . . . . ?
C18 N4 C19 N3 8.2(5) . . . . ?
Ru1 N4 C19 N3 -174.3(3) . . . . ?
C18 N4 C19 N2 -176.8(3) . . . . ?
Ru1 N4 C19 N2 0.7(4) . . . . ?
C15 N3 C19 N4 -162.1(3) . . . . ?
C16 N3 C19 N4 10.8(6) . . . . ?
C15 N3 C19 N2 22.7(5) . . . . ?
C16 N3 C19 N2 -164.4(3) . . . . ?
C1 N2 C19 N4 48.6(5) . . . . ?
C13 N2 C19 N4 -159.9(3) . . . . ?
C1 N2 C19 N3 -136.0(3) . . . . ?
C13 N2 C19 N3 15.5(4) . . . . ?
C24 N8 C20 C21 -9.0(5) . . . . ?
Ru1 N8 C20 C21 157.9(3) . . . . ?
C24 N8 C20 N12 171.8(3) . . . . ?
Ru1 N8 C20 N12 -21.3(4) . . . . ?
C38 N12 C20 N8 -38.0(5) . . . . ?
C32 N12 C20 N8 171.5(3) . . . . ?
C38 N12 C20 C21 142.8(4) . . . . ?
C32 N12 C20 C21 -7.7(5) . . . . ?
N8 C20 C21 C22 1.5(6) . . . . ?
N12 C20 C21 C22 -179.3(3) . . . . ?
C20 C21 C22 C23 5.1(6) . . . . ?
C21 C22 C23 C24 -4.1(6) . . . . ?
C20 N8 C24 C23 10.1(5) . . . . ?
Ru1 N8 C24 C23 -157.0(3) . . . . ?
C20 N8 C24 N9 -171.7(3) . . . . ?
Ru1 N8 C24 N9 21.1(4) . . . . ?
C22 C23 C24 N8 -3.7(5) . . . . ?
C22 C23 C24 N9 178.3(3) . . . . ?
C31 N9 C24 N8 42.0(4) . . . . ?
C25 N9 C24 N8 -168.6(3) . . . . ?
C31 N9 C24 C23 -139.8(3) . . . . ?
C25 N9 C24 C23 9.6(5) . . . . ?
C24 N9 C25 C26 -88.8(3) . . . . ?
C31 N9 C25 C26 62.6(4) . . . . ?
N9 C25 C26 C27 -61.7(4) . . . . ?
C31 N10 C27 C26 9.0(5) . . . . ?
C28 N10 C27 C26 -175.4(3) . . . . ?
C25 C26 C27 N10 28.7(4) . . . . ?
C31 N10 C28 C29 -20.7(5) . . . . ?
C27 N10 C28 C29 163.4(3) . . . . ?
N10 C28 C29 C30 50.1(4) . . . . ?
C31 N11 C30 C29 32.7(4) . . . . ?
Ru1 N11 C30 C29 -146.0(3) . . . . ?
C28 C29 C30 N11 -57.4(4) . . . . ?
C30 N11 C31 N10 -0.2(5) . . . . ?
Ru1 N11 C31 N10 178.6(3) . . . . ?
C30 N11 C31 N9 -178.7(3) . . . . ?
Ru1 N11 C31 N9 0.1(4) . . . . ?
C28 N10 C31 N11 -6.3(5) . . . . ?
C27 N10 C31 N11 168.9(3) . . . . ?
C28 N10 C31 N9 172.2(3) . . . . ?
C27 N10 C31 N9 -12.6(5) . . . . ?
C24 N9 C31 N11 -55.0(4) . . . . ?
C25 N9 C31 N11 154.7(3) . . . . ?
C24 N9 C31 N10 126.3(3) . . . . ?
C25 N9 C31 N10 -24.0(4) . . . . ?
C20 N12 C32 C33 91.6(4) . . . . ?
C38 N12 C32 C33 -61.4(4) . . . . ?
N12 C32 C33 C34 65.5(4) . . . . ?
C38 N13 C34 C33 -12.8(5) . . . . ?
C35 N13 C34 C33 173.8(3) . . . . ?
C32 C33 C34 N13 -30.2(4) . . . . ?
C38 N13 C35 C36 9.8(5) . . . . ?
C34 N13 C35 C36 -176.5(3) . . . . ?
N13 C35 C36 C37 -43.6(4) . . . . ?
C38 N14 C37 C36 -44.2(4) . . . . ?
Ru1 N14 C37 C36 137.1(3) . . . . ?
C35 C36 C37 N14 61.7(4) . . . . ?
C37 N14 C38 N13 8.0(5) . . . . ?
Ru1 N14 C38 N13 -173.3(3) . . . . ?
C37 N14 C38 N12 -175.5(3) . . . . ?
Ru1 N14 C38 N12 3.2(4) . . . . ?
C35 N13 C38 N14 10.3(5) . . . . ?
C34 N13 C38 N14 -162.5(3) . . . . ?
C35 N13 C38 N12 -166.4(3) . . . . ?
C34 N13 C38 N12 20.8(5) . . . . ?
C20 N12 C38 N14 48.6(4) . . . . ?
C32 N12 C38 N14 -159.5(3) . . . . ?
C20 N12 C38 N13 -134.5(3) . . . . ?
C32 N12 C38 N13 17.3(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        71.15
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.196
_refine_diff_density_min         -1.134
_refine_diff_density_rms         0.083


_database_code_depnum_ccdc_archive 'CCDC 922650'
