# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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_RudmbL2

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H32 F12 N6 O2 P2 Ru'
_chemical_formula_weight         971.69

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'
F F 0.0171 0.0103 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   R-3c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'-x, -x+y, -z+1/2'
'x-y, -y, -z+1/2'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'x-y+2/3, -y+1/3, -z+5/6'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'x-y+1/3, -y+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'x, x-y, z-1/2'
'-x+y, y, z-1/2'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-x+y+2/3, y+1/3, z-1/6'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'
'-x+y+1/3, y+2/3, z+1/6'

_cell_length_a                   31.553(3)
_cell_length_b                   31.553(3)
_cell_length_c                   25.580(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     22055(5)
_cell_formula_units_Z            18
_cell_measurement_temperature    194(2)
_cell_measurement_reflns_used    4412
_cell_measurement_theta_min      2.6
_cell_measurement_theta_max      26.1

_exptl_crystal_description       block
_exptl_crystal_colour            'dark brown'
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.317
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             8784
_exptl_absorpt_coefficient_mu    0.465
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8359
_exptl_absorpt_correction_T_max  0.9128
_exptl_absorpt_process_details   'HKL2000 Scalepack (Otwinowski & Minor, 1997)'

_exptl_special_details           
; 
Comment on the reduced reflns_theta_full (23.58):
The resolution is ranging from infinite to 1.00. This should
be attributed to the low quality of the crystal. Attempts to 
get data at higher resolution (<1.00) proved to be 
unsuccessful.
The difference from Mu(calc) and Mu(CIF)is due to the highly
 disordered solvents,which could not be located in the structure.

;

_diffrn_ambient_temperature      194(2)
_diffrn_radiation_wavelength     0.80000
_diffrn_radiation_type           ?
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'MarCCD 165 detector'
_diffrn_measurement_method       φ
_diffrn_standards_decay_%        0
_diffrn_reflns_number            12301
_diffrn_reflns_av_R_equivalents  0.0627
_diffrn_reflns_av_unetI/netI     0.0348
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.39
_diffrn_reflns_theta_max         23.58
_reflns_number_total             2508
_reflns_number_gt                1897
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'MarCCD 165 detector'
_computing_cell_refinement       'HKL2000 Scalepack (Otwinowski & Minor, 1997)'
_computing_data_reduction        'HKL2000 Scalepack (Otwinowski & Minor, 1997)'
_computing_structure_solution    'shelxs-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'

_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)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         2508
_refine_ls_number_parameters     271
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0936
_refine_ls_R_factor_gt           0.0775
_refine_ls_wR_factor_ref         0.2637
_refine_ls_wR_factor_gt          0.2472
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_restrained_S_all      1.104
_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
Ru1 Ru 0.0000 0.22408(3) 0.2500 0.1030(6) Uani 1 2 d S . .
N1 N 0.0590(2) 0.2493(2) 0.2993(3) 0.107(2) Uani 1 1 d . . .
N2 N 0.0420(3) 0.2004(3) 0.2127(4) 0.137(3) Uani 1 1 d . . .
N3 N 0.0323(2) 0.2906(3) 0.2129(3) 0.104(2) Uani 1 1 d . . .
C1 C 0.0654(3) 0.2735(3) 0.3451(3) 0.105(2) Uani 1 1 d . . .
H1 H 0.0415 0.2817 0.3554 0.126 Uiso 1 1 calc R . .
C2 C 0.1046(3) 0.2864(3) 0.3768(3) 0.102(2) Uani 1 1 d . . .
H2 H 0.1077 0.3041 0.4080 0.123 Uiso 1 1 calc R . .
C3 C 0.1396(3) 0.2746(3) 0.3649(4) 0.116(3) Uani 1 1 d . . .
C4 C 0.1822(3) 0.2864(4) 0.4008(4) 0.136(3) Uani 1 1 d . . .
H4A H 0.1937 0.3185 0.4170 0.204 Uiso 1 1 calc R . .
H4B H 0.2089 0.2869 0.3807 0.204 Uiso 1 1 calc R . .
H4C H 0.1717 0.2613 0.4282 0.204 Uiso 1 1 calc R . .
C5 C 0.1338(3) 0.2497(3) 0.3159(4) 0.122(3) Uani 1 1 d . . .
H5 H 0.1575 0.2413 0.3050 0.146 Uiso 1 1 calc R . .
C6 C 0.0943(3) 0.2382(3) 0.2853(4) 0.115(3) Uani 1 1 d . . .
C7 C 0.0852(4) 0.2133(4) 0.2337(5) 0.149(4) Uani 1 1 d . . .
C8 C 0.1200(6) 0.2065(6) 0.2080(7) 0.207(7) Uani 1 1 d . . .
H8 H 0.1513 0.2187 0.2238 0.249 Uiso 1 1 calc R . .
C9 C 0.1112(7) 0.1830(10) 0.1611(7) 0.282(13) Uani 1 1 d . . .
C10 C 0.1469(8) 0.1732(10) 0.1345(8) 0.317(15) Uani 1 1 d . . .
H10A H 0.1464 0.1789 0.0969 0.476 Uiso 1 1 calc R . .
H10B H 0.1382 0.1392 0.1406 0.476 Uiso 1 1 calc R . .
H10C H 0.1797 0.1952 0.1483 0.476 Uiso 1 1 calc R . .
C11 C 0.0638(6) 0.1668(7) 0.1399(7) 0.233(10) Uani 1 1 d . . .
H11 H 0.0545 0.1497 0.1076 0.279 Uiso 1 1 calc R . .
C12 C 0.0317(5) 0.1764(6) 0.1668(6) 0.184(6) Uani 1 1 d . . .
H12 H 0.0003 0.1653 0.1520 0.220 Uiso 1 1 calc R . .
C13 C 0.0658(3) 0.3061(4) 0.1736(4) 0.118(3) Uani 1 1 d . . .
H13 H 0.0763 0.2845 0.1610 0.142 Uiso 1 1 calc R . .
C14 C 0.0176(3) 0.3223(3) 0.2293(3) 0.101(2) Uani 1 1 d . . .
C15 C 0.0848(4) 0.3512(5) 0.1516(4) 0.129(4) Uani 1 1 d . . .
H15 H 0.1082 0.3606 0.1242 0.155 Uiso 1 1 calc R . .
C16 C 0.0358(3) 0.3679(4) 0.2077(4) 0.116(3) Uani 1 1 d . . .
H16 H 0.0246 0.3890 0.2199 0.139 Uiso 1 1 calc R . .
C17 C 0.0701(4) 0.3832(4) 0.1690(5) 0.130(3) Uani 1 1 d . . .
C18 C 0.0900(5) 0.4338(5) 0.1459(6) 0.163(4) Uani 1 1 d . . .
H18 H 0.0779 0.4542 0.1579 0.195 Uiso 1 1 calc R . .
O1 O 0.1215(4) 0.4486(4) 0.1120(5) 0.210(5) Uani 1 1 d . . .
P1 P 0.27496(12) 0.27496(12) 0.2500 0.1259(13) Uani 1 2 d S . .
P2 P 0.1903(2) 0.3333 0.0833 0.260(5) Uani 1 2 d SU . .
F1 F 0.3015(2) 0.2484(3) 0.2740(3) 0.168(2) Uani 1 1 d . . .
F2 F 0.3245(3) 0.3245(3) 0.2500 0.228(6) Uani 1 2 d S . .
F3 F 0.2857(2) 0.2649(3) 0.1920(3) 0.168(2) Uani 1 1 d . . .
F4 F 0.2252(2) 0.2252(2) 0.2500 0.151(4) Uani 1 2 d S . .
F5 F 0.2063(5) 0.2965(7) 0.1000(6) 0.333(9) Uani 1 1 d . . .
F6 F 0.1820(6) 0.3188(9) 0.0226(4) 0.382(11) Uani 1 1 d . . .
F7 F 0.1366(4) 0.2949(5) 0.0970(4) 0.256(5) Uani 1 1 d U . .


_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 N3 2.050(8) 5 ?
Ru1 N3 2.050(8) . ?
Ru1 N1 2.052(6) 5 ?
Ru1 N1 2.052(6) . ?
Ru1 N2 2.052(8) . ?
Ru1 N2 2.052(8) 5 ?
N1 C1 1.357(10) . ?
N1 C6 1.371(10) . ?
N2 C7 1.324(11) . ?
N2 C12 1.348(14) . ?
N3 C13 1.360(11) . ?
N3 C14 1.365(10) . ?
C1 C2 1.360(11) . ?
C1 H1 0.9500 . ?
C2 C3 1.366(13) . ?
C2 H2 0.9500 . ?
C3 C5 1.442(13) . ?
C3 C4 1.514(12) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.357(12) . ?
C5 H5 0.9500 . ?
C6 C7 1.490(13) . ?
C7 C8 1.387(17) . ?
C8 C9 1.365(18) . ?
C8 H8 0.9500 . ?
C9 C11 1.424(19) . ?
C9 C10 1.474(18) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.375(19) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C15 1.359(14) . ?
C13 H13 0.9500 . ?
C14 C16 1.369(12) . ?
C14 C14 1.431(17) 5 ?
C15 C17 1.379(16) . ?
C15 H15 0.9500 . ?
C16 C17 1.365(15) . ?
C16 H16 0.9500 . ?
C17 C18 1.513(16) . ?
C18 O1 1.222(16) . ?
C18 H18 0.9500 . ?
P1 F2 1.564(9) . ?
P1 F4 1.572(8) . ?
P1 F1 1.574(6) 4 ?
P1 F1 1.574(6) . ?
P1 F3 1.590(6) 4 ?
P1 F3 1.590(6) . ?
P2 F5 1.542(12) . ?
P2 F5 1.542(12) 18_554 ?
P2 F7 1.551(11) 18_554 ?
P2 F7 1.551(11) . ?
P2 F6 1.603(14) 18_554 ?
P2 F6 1.604(14) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N3 Ru1 N3 78.4(4) 5 . ?
N3 Ru1 N1 89.8(3) 5 5 ?
N3 Ru1 N1 96.1(3) . 5 ?
N3 Ru1 N1 96.1(3) 5 . ?
N3 Ru1 N1 89.8(3) . . ?
N1 Ru1 N1 172.4(4) 5 . ?
N3 Ru1 N2 171.1(3) 5 . ?
N3 Ru1 N2 94.4(3) . . ?
N1 Ru1 N2 96.2(3) 5 . ?
N1 Ru1 N2 78.5(3) . . ?
N3 Ru1 N2 94.4(3) 5 5 ?
N3 Ru1 N2 171.1(3) . 5 ?
N1 Ru1 N2 78.5(3) 5 5 ?
N1 Ru1 N2 96.2(3) . 5 ?
N2 Ru1 N2 93.2(6) . 5 ?
C1 N1 C6 117.3(7) . . ?
C1 N1 Ru1 126.8(6) . . ?
C6 N1 Ru1 115.9(6) . . ?
C7 N2 C12 116.5(9) . . ?
C7 N2 Ru1 116.9(7) . . ?
C12 N2 Ru1 126.4(7) . . ?
C13 N3 C14 116.8(8) . . ?
C13 N3 Ru1 127.6(7) . . ?
C14 N3 Ru1 115.6(6) . . ?
N1 C1 C2 122.7(8) . . ?
N1 C1 H1 118.6 . . ?
C2 C1 H1 118.6 . . ?
C1 C2 C3 121.5(8) . . ?
C1 C2 H2 119.2 . . ?
C3 C2 H2 119.2 . . ?
C2 C3 C5 116.3(7) . . ?
C2 C3 C4 122.5(9) . . ?
C5 C3 C4 121.2(9) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 C3 119.7(9) . . ?
C6 C5 H5 120.1 . . ?
C3 C5 H5 120.1 . . ?
C5 C6 N1 122.4(8) . . ?
C5 C6 C7 124.2(9) . . ?
N1 C6 C7 113.4(7) . . ?
N2 C7 C8 122.4(10) . . ?
N2 C7 C6 114.8(9) . . ?
C8 C7 C6 122.8(9) . . ?
C9 C8 C7 122.5(12) . . ?
C9 C8 H8 118.7 . . ?
C7 C8 H8 118.7 . . ?
C8 C9 C11 115.0(12) . . ?
C8 C9 C10 123.3(13) . . ?
C11 C9 C10 121.6(14) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C9 119.1(12) . . ?
C12 C11 H11 120.4 . . ?
C9 C11 H11 120.4 . . ?
N2 C12 C11 124.3(11) . . ?
N2 C12 H12 117.9 . . ?
C11 C12 H12 117.9 . . ?
C15 C13 N3 122.7(10) . . ?
C15 C13 H13 118.7 . . ?
N3 C13 H13 118.7 . . ?
N3 C14 C16 121.9(8) . . ?
N3 C14 C14 115.2(5) . 5 ?
C16 C14 C14 122.9(6) . 5 ?
C13 C15 C17 119.9(10) . . ?
C13 C15 H15 120.0 . . ?
C17 C15 H15 120.0 . . ?
C17 C16 C14 120.5(10) . . ?
C17 C16 H16 119.8 . . ?
C14 C16 H16 119.8 . . ?
C16 C17 C15 118.2(10) . . ?
C16 C17 C18 119.6(13) . . ?
C15 C17 C18 122.2(13) . . ?
O1 C18 C17 120.7(15) . . ?
O1 C18 H18 119.6 . . ?
C17 C18 H18 119.6 . . ?
F2 P1 F4 180.0(7) . . ?
F2 P1 F1 90.0(3) . 4 ?
F4 P1 F1 90.0(3) . 4 ?
F2 P1 F1 90.0(3) . . ?
F4 P1 F1 90.0(3) . . ?
F1 P1 F1 179.9(8) 4 . ?
F2 P1 F3 89.6(3) . 4 ?
F4 P1 F3 90.4(3) . 4 ?
F1 P1 F3 91.9(4) 4 4 ?
F1 P1 F3 88.1(4) . 4 ?
F2 P1 F3 89.6(3) . . ?
F4 P1 F3 90.4(3) . . ?
F1 P1 F3 88.1(4) 4 . ?
F1 P1 F3 91.9(4) . . ?
F3 P1 F3 179.3(8) 4 . ?
F5 P2 F5 90.4(11) . 18_554 ?
F5 P2 F7 176.8(8) . 18_554 ?
F5 P2 F7 89.4(7) 18_554 18_554 ?
F5 P2 F7 89.4(7) . . ?
F5 P2 F7 176.8(8) 18_554 . ?
F7 P2 F7 91.1(8) 18_554 . ?
F5 P2 F6 84.7(9) . 18_554 ?
F5 P2 F6 96.9(10) 18_554 18_554 ?
F7 P2 F6 92.1(9) 18_554 18_554 ?
F7 P2 F6 86.3(8) . 18_554 ?
F5 P2 F6 96.9(10) . . ?
F5 P2 F6 84.7(9) 18_554 . ?
F7 P2 F6 86.3(8) 18_554 . ?
F7 P2 F6 92.1(9) . . ?
F6 P2 F6 177.7(11) 18_554 . ?

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
N3 Ru1 N1 C1 9.3(7) 5 . . . ?
N3 Ru1 N1 C1 87.7(7) . . . . ?
N1 Ru1 N1 C1 -131.3(7) 5 . . . ?
N2 Ru1 N1 C1 -177.8(8) . . . . ?
N2 Ru1 N1 C1 -85.7(7) 5 . . . ?
N3 Ru1 N1 C6 -174.1(6) 5 . . . ?
N3 Ru1 N1 C6 -95.8(7) . . . . ?
N1 Ru1 N1 C6 45.2(6) 5 . . . ?
N2 Ru1 N1 C6 -1.3(7) . . . . ?
N2 Ru1 N1 C6 90.8(7) 5 . . . ?
N3 Ru1 N2 C7 50(3) 5 . . . ?
N3 Ru1 N2 C7 85.4(9) . . . . ?
N1 Ru1 N2 C7 -178.0(9) 5 . . . ?
N1 Ru1 N2 C7 -3.5(9) . . . . ?
N2 Ru1 N2 C7 -99.2(10) 5 . . . ?
N3 Ru1 N2 C12 -124.6(19) 5 . . . ?
N3 Ru1 N2 C12 -88.9(12) . . . . ?
N1 Ru1 N2 C12 7.8(13) 5 . . . ?
N1 Ru1 N2 C12 -177.8(13) . . . . ?
N2 Ru1 N2 C12 86.5(12) 5 . . . ?
N3 Ru1 N3 C13 -179.1(8) 5 . . . ?
N1 Ru1 N3 C13 -90.5(7) 5 . . . ?
N1 Ru1 N3 C13 84.7(7) . . . . ?
N2 Ru1 N3 C13 6.2(7) . . . . ?
N2 Ru1 N3 C13 -142.6(19) 5 . . . ?
N3 Ru1 N3 C14 -0.5(4) 5 . . . ?
N1 Ru1 N3 C14 88.0(6) 5 . . . ?
N1 Ru1 N3 C14 -96.8(6) . . . . ?
N2 Ru1 N3 C14 -175.2(5) . . . . ?
N2 Ru1 N3 C14 36(2) 5 . . . ?
C6 N1 C1 C2 -0.3(12) . . . . ?
Ru1 N1 C1 C2 176.2(6) . . . . ?
N1 C1 C2 C3 -1.8(13) . . . . ?
C1 C2 C3 C5 2.7(13) . . . . ?
C1 C2 C3 C4 -176.8(8) . . . . ?
C2 C3 C5 C6 -1.8(14) . . . . ?
C4 C3 C5 C6 177.8(9) . . . . ?
C3 C5 C6 N1 -0.2(15) . . . . ?
C3 C5 C6 C7 178.8(10) . . . . ?
C1 N1 C6 C5 1.2(13) . . . . ?
Ru1 N1 C6 C5 -175.6(8) . . . . ?
C1 N1 C6 C7 -177.9(9) . . . . ?
Ru1 N1 C6 C7 5.3(11) . . . . ?
C12 N2 C7 C8 5(2) . . . . ?
Ru1 N2 C7 C8 -169.4(12) . . . . ?
C12 N2 C7 C6 -177.9(12) . . . . ?
Ru1 N2 C7 C6 7.3(14) . . . . ?
C5 C6 C7 N2 172.7(10) . . . . ?
N1 C6 C7 N2 -8.2(15) . . . . ?
C5 C6 C7 C8 -11(2) . . . . ?
N1 C6 C7 C8 168.5(13) . . . . ?
N2 C7 C8 C9 -5(3) . . . . ?
C6 C7 C8 C9 179(2) . . . . ?
C7 C8 C9 C11 1(4) . . . . ?
C7 C8 C9 C10 -177(2) . . . . ?
C8 C9 C11 C12 1(4) . . . . ?
C10 C9 C11 C12 179(2) . . . . ?
C7 N2 C12 C11 -3(3) . . . . ?
Ru1 N2 C12 C11 171.1(15) . . . . ?
C9 C11 C12 N2 0(3) . . . . ?
C14 N3 C13 C15 1.1(12) . . . . ?
Ru1 N3 C13 C15 179.7(6) . . . . ?
C13 N3 C14 C16 -0.9(11) . . . . ?
Ru1 N3 C14 C16 -179.6(6) . . . . ?
C13 N3 C14 C14 -179.9(8) . . . 5 ?
Ru1 N3 C14 C14 1.4(11) . . . 5 ?
N3 C13 C15 C17 -0.2(14) . . . . ?
N3 C14 C16 C17 -0.3(13) . . . . ?
C14 C14 C16 C17 178.6(9) 5 . . . ?
C14 C16 C17 C15 1.3(14) . . . . ?
C14 C16 C17 C18 -179.7(9) . . . . ?
C13 C15 C17 C16 -1.1(14) . . . . ?
C13 C15 C17 C18 -180.0(9) . . . . ?
C16 C17 C18 O1 178.4(12) . . . . ?
C15 C17 C18 O1 -2.7(19) . . . . ?

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
1 0.000 0.000 -0.004 1989.9 71.6
2 0.333 0.667 0.604 1980.8 72.5
3 0.667 0.333 0.271 1980.8 72.5


_diffrn_measured_fraction_theta_max 0.974
_diffrn_reflns_theta_full        23.58
_diffrn_measured_fraction_theta_full 0.974
_refine_diff_density_max         0.371
_refine_diff_density_min         -0.352
_refine_diff_density_rms         0.084
_database_code_depnum_ccdc_archive 'CCDC 992607'
