# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_(TMC)Ru(VI)(ClO4)2
_database_code_depnum_ccdc_archive 'CCDC 1049483'
_audit_update_record             
;
2015-02-14 deposited with the CCDC.
2015-03-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            'TMC dioxoruthenium(VI) perchlorate'
_chemical_formula_moiety         'C14 N4 O2 Ru, Cl2 O8'
_chemical_formula_sum            'C14 Cl2 N4 O10 Ru'
_chemical_formula_weight         556.15

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'
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'
Cl Cl 0.1484 0.1585 '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           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

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

_cell_length_a                   6.3282(6)
_cell_length_b                   16.9820(17)
_cell_length_c                   10.1870(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 94.132(2)
_cell_angle_gamma                90.00
_cell_volume                     1091.91(18)
_cell_formula_units_Z            2
_cell_measurement_temperature    170(2)
_cell_measurement_reflns_used    2590
_cell_measurement_theta_min      2.34
_cell_measurement_theta_max      27.42

_exptl_crystal_description       Block
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.692
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             540
_exptl_absorpt_coefficient_mu    1.018
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      170(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            6032
_diffrn_reflns_av_R_equivalents  0.0320
_diffrn_reflns_av_sigmaI/netI    0.0394
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.34
_diffrn_reflns_theta_max         25.98
_reflns_number_total             2150
_reflns_number_gt                1679
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_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)+(0.0884P)²+2.1463P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   none
_refine_ls_hydrogen_treatment    none
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0041(16)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         2150
_refine_ls_number_parameters     179
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0650
_refine_ls_R_factor_gt           0.0543
_refine_ls_wR_factor_ref         0.1574
_refine_ls_wR_factor_gt          0.1534
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_restrained_S_all      1.100
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.5000 0.5000 0.5000 0.0296(3) Uani 1 2 d S . .
Cl1 Cl 0.0835(3) 0.34085(9) 0.03549(16) 0.0441(4) Uani 1 1 d . . .
O1 O 0.7613(7) 0.5143(2) 0.5502(4) 0.0409(10) Uani 1 1 d . . .
N1 N 0.5761(8) 0.3885(2) 0.4155(5) 0.0365(11) Uani 1 1 d . . .
N2 N 0.5581(7) 0.5447(3) 0.3090(4) 0.0349(11) Uani 1 1 d . . .
C5 C 0.6559(19) 0.4053(5) 0.2868(9) 0.092(3) Uani 1 1 d . . .
C4 C 0.7207(16) 0.3497(6) 0.5096(11) 0.097(3) Uani 1 1 d . . .
C1 C 0.3793(15) 0.3374(5) 0.3830(10) 0.080(3) Uani 1 1 d . . .
C3 C 0.648(3) 0.3365(10) 0.6397(19) 0.047(4) Uani 0.50 1 d P . .
C3* C 0.553(4) 0.3131(10) 0.637(2) 0.064(6) Uani 0.50 1 d P . .
C6* C 0.712(3) 0.4949(8) 0.2630(15) 0.052(4) Uani 0.50 1 d P . .
C6 C 0.573(2) 0.4707(8) 0.2209(11) 0.039(3) Uani 0.50 1 d P . .
O2 O 0.3034(7) 0.3538(4) 0.0140(5) 0.0676(14) Uani 1 1 d . . .
O3 O 0.0676(9) 0.2787(3) 0.1253(5) 0.0743(16) Uani 1 1 d . . .
O4 O -0.0171(11) 0.3204(4) -0.0855(6) 0.097(2) Uani 1 1 d . . .
O5 O 0.0149(12) 0.4097(4) 0.0921(9) 0.123(3) Uani 1 1 d . . .
C2 C 0.7739(18) 0.5849(7) 0.3058(12) 0.041(3) Uani 0.50 1 d P . .
C2* C 0.623(3) 0.6310(8) 0.3168(15) 0.056(4) Uani 0.50 1 d P . .
C7 C 0.3829(17) 0.5941(7) 0.2640(11) 0.034(2) Uani 0.50 1 d P . .
C7* C 0.348(2) 0.5432(10) 0.2059(13) 0.057(4) Uani 0.50 1 d P . .


_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 O1 1.713(4) . ?
Ru1 O1 1.713(4) 3_666 ?
Ru1 N2 2.145(4) 3_666 ?
Ru1 N2 2.145(4) . ?
Ru1 N1 2.149(4) . ?
Ru1 N1 2.149(4) 3_666 ?
Cl1 O5 1.387(6) . ?
Cl1 O4 1.390(6) . ?
Cl1 O3 1.405(5) . ?
Cl1 O2 1.441(5) . ?
N1 C4 1.436(10) . ?
N1 C5 1.467(10) . ?
N1 C1 1.534(9) . ?
N2 C6* 1.399(13) . ?
N2 C7 1.438(11) . ?
N2 C2* 1.522(13) . ?
N2 C2 1.529(12) . ?
N2 C6 1.551(13) . ?
N2 C7* 1.635(14) . ?
C5 C6 1.382(16) . ?
C5 C6* 1.585(16) . ?
C4 C3 1.45(2) . ?
C4 C3* 1.84(2) . ?
C3 C3* 0.72(2) . ?
C3 C7 1.56(2) 3_666 ?
C3 C2* 1.89(2) 3_666 ?
C3* C2* 1.56(2) 3_666 ?
C3* C7 1.90(2) 3_666 ?
C6* C6 1.037(19) . ?
C6* C2 1.63(2) . ?
C6 C7* 1.88(2) . ?
C2 C2* 1.245(18) . ?
C2* C3* 1.56(2) 3_666 ?
C2* C7 1.696(19) . ?
C2* C3 1.89(2) 3_666 ?
C7 C7* 1.063(18) . ?
C7 C3 1.56(2) 3_666 ?
C7 C3* 1.90(2) 3_666 ?

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
O1 Ru1 O1 180.0 . 3_666 ?
O1 Ru1 N2 90.23(19) . 3_666 ?
O1 Ru1 N2 89.77(19) 3_666 3_666 ?
O1 Ru1 N2 89.77(19) . . ?
O1 Ru1 N2 90.23(19) 3_666 . ?
N2 Ru1 N2 179.997(1) 3_666 . ?
O1 Ru1 N1 90.31(18) . . ?
O1 Ru1 N1 89.69(18) 3_666 . ?
N2 Ru1 N1 96.28(18) 3_666 . ?
N2 Ru1 N1 83.73(18) . . ?
O1 Ru1 N1 89.69(18) . 3_666 ?
O1 Ru1 N1 90.31(18) 3_666 3_666 ?
N2 Ru1 N1 83.72(18) 3_666 3_666 ?
N2 Ru1 N1 96.27(18) . 3_666 ?
N1 Ru1 N1 180.000(1) . 3_666 ?
O5 Cl1 O4 116.3(5) . . ?
O5 Cl1 O3 108.9(4) . . ?
O4 Cl1 O3 109.9(4) . . ?
O5 Cl1 O2 105.6(4) . . ?
O4 Cl1 O2 106.8(4) . . ?
O3 Cl1 O2 109.2(3) . . ?
C4 N1 C5 116.3(7) . . ?
C4 N1 C1 110.7(7) . . ?
C5 N1 C1 104.1(7) . . ?
C4 N1 Ru1 106.7(4) . . ?
C5 N1 Ru1 106.7(4) . . ?
C1 N1 Ru1 112.5(4) . . ?
C6* N2 C7 141.9(9) . . ?
C6* N2 C2* 114.0(9) . . ?
C7 N2 C2* 69.8(8) . . ?
C6* N2 C2 67.4(9) . . ?
C7 N2 C2 113.7(7) . . ?
C2* N2 C2 48.1(7) . . ?
C6* N2 C6 40.8(8) . . ?
C7 N2 C6 111.4(8) . . ?
C2* N2 C6 141.4(8) . . ?
C2 N2 C6 104.9(8) . . ?
C6* N2 C7* 109.3(10) . . ?
C7 N2 C7* 39.8(7) . . ?
C2* N2 C7* 104.7(9) . . ?
C2 N2 C7* 132.9(8) . . ?
C6 N2 C7* 72.3(8) . . ?
C6* N2 Ru1 105.0(6) . . ?
C7 N2 Ru1 108.5(5) . . ?
C2* N2 Ru1 110.9(6) . . ?
C2 N2 Ru1 112.9(5) . . ?
C6 N2 Ru1 105.1(5) . . ?
C7* N2 Ru1 113.1(6) . . ?
C6 C5 N1 116.6(8) . . ?
C6 C5 C6* 40.2(8) . . ?
N1 C5 C6* 114.8(7) . . ?
N1 C4 C3 116.8(10) . . ?
N1 C4 C3* 104.7(10) . . ?
C3 C4 C3* 21.2(11) . . ?
C3* C3 C4 112(3) . . ?
C3* C3 C7 107(3) . 3_666 ?
C4 C3 C7 121.4(12) . 3_666 ?
C3* C3 C2* 53(2) . 3_666 ?
C4 C3 C2* 121.6(12) . 3_666 ?
C7 C3 C2* 58.1(8) 3_666 3_666 ?
C3 C3* C2* 105(3) . 3_666 ?
C3 C3* C4 47(2) . . ?
C2* C3* C4 117.8(11) 3_666 . ?
C3 C3* C7 51(2) . 3_666 ?
C2* C3* C7 57.7(9) 3_666 3_666 ?
C4 C3* C7 88.9(9) . 3_666 ?
C6 C6* N2 77.5(12) . . ?
C6 C6* C5 59.3(12) . . ?
N2 C6* C5 111.0(10) . . ?
C6 C6* C2 131.4(14) . . ?
N2 C6* C2 60.1(7) . . ?
C5 C6* C2 155.7(12) . . ?
C6* C6 C5 80.5(13) . . ?
C6* C6 N2 61.7(9) . . ?
C5 C6 N2 114.0(9) . . ?
C6* C6 C7* 113.1(13) . . ?
C5 C6 C7* 145.5(11) . . ?
N2 C6 C7* 55.9(7) . . ?
C2* C2 N2 65.6(8) . . ?
C2* C2 C6* 116.4(12) . . ?
N2 C2 C6* 52.5(7) . . ?
C2 C2* N2 66.2(8) . . ?
C2 C2* C3* 167.7(17) . 3_666 ?
N2 C2* C3* 113.8(11) . 3_666 ?
C2 C2* C7 114.5(12) . . ?
N2 C2* C7 52.8(6) . . ?
C3* C2* C7 71.1(12) 3_666 . ?
C2 C2* C3 157.1(12) . 3_666 ?
N2 C2* C3 92.7(9) . 3_666 ?
C3* C2* C3 21.6(8) 3_666 3_666 ?
C7 C2* C3 51.1(8) . 3_666 ?
C7* C7 N2 80.1(10) . . ?
C7* C7 C3 159.7(15) . 3_666 ?
N2 C7 C3 111.7(10) . 3_666 ?
C7* C7 C2* 128.6(13) . . ?
N2 C7 C2* 57.4(6) . . ?
C3 C7 C2* 70.7(10) 3_666 . ?
C7* C7 C3* 178.2(13) . 3_666 ?
N2 C7 C3* 100.6(10) . 3_666 ?
C3 C7 C3* 21.2(8) 3_666 3_666 ?
C2* C7 C3* 51.1(9) . 3_666 ?
C7 C7* N2 60.1(8) . . ?
C7 C7* C6 111.1(12) . . ?
N2 C7* C6 51.8(6) . . ?

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
O1 Ru1 N1 C4 43.9(6) . . . . ?
O1 Ru1 N1 C4 -136.1(6) 3_666 . . . ?
N2 Ru1 N1 C4 -46.4(6) 3_666 . . . ?
N2 Ru1 N1 C4 133.6(6) . . . . ?
N1 Ru1 N1 C4 124(35) 3_666 . . . ?
O1 Ru1 N1 C5 -81.1(6) . . . . ?
O1 Ru1 N1 C5 98.9(6) 3_666 . . . ?
N2 Ru1 N1 C5 -171.3(6) 3_666 . . . ?
N2 Ru1 N1 C5 8.7(6) . . . . ?
N1 Ru1 N1 C5 -1(36) 3_666 . . . ?
O1 Ru1 N1 C1 165.4(5) . . . . ?
O1 Ru1 N1 C1 -14.6(5) 3_666 . . . ?
N2 Ru1 N1 C1 75.2(5) 3_666 . . . ?
N2 Ru1 N1 C1 -104.8(5) . . . . ?
N1 Ru1 N1 C1 -114(35) 3_666 . . . ?
O1 Ru1 N2 C6* 59.1(8) . . . . ?
O1 Ru1 N2 C6* -120.9(8) 3_666 . . . ?
N2 Ru1 N2 C6* 148(3) 3_666 . . . ?
N1 Ru1 N2 C6* -31.2(8) . . . . ?
N1 Ru1 N2 C6* 148.8(8) 3_666 . . . ?
O1 Ru1 N2 C7 -139.3(6) . . . . ?
O1 Ru1 N2 C7 40.7(6) 3_666 . . . ?
N2 Ru1 N2 C7 -50(3) 3_666 . . . ?
N1 Ru1 N2 C7 130.4(6) . . . . ?
N1 Ru1 N2 C7 -49.6(6) 3_666 . . . ?
O1 Ru1 N2 C2* -64.4(7) . . . . ?
O1 Ru1 N2 C2* 115.6(7) 3_666 . . . ?
N2 Ru1 N2 C2* 25(3) 3_666 . . . ?
N1 Ru1 N2 C2* -154.8(7) . . . . ?
N1 Ru1 N2 C2* 25.2(7) 3_666 . . . ?
O1 Ru1 N2 C2 -12.3(6) . . . . ?
O1 Ru1 N2 C2 167.7(6) 3_666 . . . ?
N2 Ru1 N2 C2 77(3) 3_666 . . . ?
N1 Ru1 N2 C2 -102.7(6) . . . . ?
N1 Ru1 N2 C2 77.3(6) 3_666 . . . ?
O1 Ru1 N2 C6 101.4(6) . . . . ?
O1 Ru1 N2 C6 -78.6(6) 3_666 . . . ?
N2 Ru1 N2 C6 -170(3) 3_666 . . . ?
N1 Ru1 N2 C6 11.1(6) . . . . ?
N1 Ru1 N2 C6 -168.9(6) 3_666 . . . ?
O1 Ru1 N2 C7* 178.3(7) . . . . ?
O1 Ru1 N2 C7* -1.7(7) 3_666 . . . ?
N2 Ru1 N2 C7* -93(3) 3_666 . . . ?
N1 Ru1 N2 C7* 87.9(7) . . . . ?
N1 Ru1 N2 C7* -92.1(7) 3_666 . . . ?
C4 N1 C5 C6 -150.2(10) . . . . ?
C1 N1 C5 C6 87.8(11) . . . . ?
Ru1 N1 C5 C6 -31.3(12) . . . . ?
C4 N1 C5 C6* -105.4(11) . . . . ?
C1 N1 C5 C6* 132.6(10) . . . . ?
Ru1 N1 C5 C6* 13.5(12) . . . . ?
C5 N1 C4 C3 176.9(10) . . . . ?
C1 N1 C4 C3 -64.7(11) . . . . ?
Ru1 N1 C4 C3 58.0(11) . . . . ?
C5 N1 C4 C3* -164.5(9) . . . . ?
C1 N1 C4 C3* -46.1(9) . . . . ?
Ru1 N1 C4 C3* 76.6(8) . . . . ?
N1 C4 C3 C3* 59(3) . . . . ?
N1 C4 C3 C7 -69.8(17) . . . 3_666 ?
C3* C4 C3 C7 -129(4) . . . 3_666 ?
N1 C4 C3 C2* -0.3(18) . . . 3_666 ?
C3* C4 C3 C2* -59(3) . . . 3_666 ?
C4 C3 C3* C2* -114(2) . . . 3_666 ?
C7 C3 C3* C2* 22(3) 3_666 . . 3_666 ?
C7 C3 C3* C4 136(3) 3_666 . . . ?
C2* C3 C3* C4 114(2) 3_666 . . . ?
C4 C3 C3* C7 -136(3) . . . 3_666 ?
C2* C3 C3* C7 -22(3) 3_666 . . 3_666 ?
N1 C4 C3* C3 -128(3) . . . . ?
N1 C4 C3* C2* -42.6(19) . . . 3_666 ?
C3 C4 C3* C2* 85(3) . . . 3_666 ?
N1 C4 C3* C7 -94.8(10) . . . 3_666 ?
C3 C4 C3* C7 33(3) . . . 3_666 ?
C7 N2 C6* C6 -55.1(17) . . . . ?
C2* N2 C6* C6 -142.6(11) . . . . ?
C2 N2 C6* C6 -155.3(12) . . . . ?
C7* N2 C6* C6 -25.8(12) . . . . ?
Ru1 N2 C6* C6 95.8(10) . . . . ?
C7 N2 C6* C5 -105.0(13) . . . . ?
C2* N2 C6* C5 167.5(11) . . . . ?
C2 N2 C6* C5 154.9(14) . . . . ?
C6 N2 C6* C5 -49.8(11) . . . . ?
C7* N2 C6* C5 -75.6(12) . . . . ?
Ru1 N2 C6* C5 46.0(12) . . . . ?
C7 N2 C6* C2 100.1(14) . . . . ?
C2* N2 C6* C2 12.6(10) . . . . ?
C6 N2 C6* C2 155.3(12) . . . . ?
C7* N2 C6* C2 129.4(9) . . . . ?
Ru1 N2 C6* C2 -108.9(6) . . . . ?
N1 C5 C6* C6 -102.6(14) . . . . ?
C6 C5 C6* N2 60.2(12) . . . . ?
N1 C5 C6* N2 -42.4(16) . . . . ?
C6 C5 C6* C2 124(3) . . . . ?
N1 C5 C6* C2 21(4) . . . . ?
N2 C6* C6 C5 -124.0(8) . . . . ?
C2 C6* C6 C5 -152.9(16) . . . . ?
C5 C6* C6 N2 124.0(8) . . . . ?
C2 C6* C6 N2 -28.9(13) . . . . ?
N2 C6* C6 C7* 22.9(10) . . . . ?
C5 C6* C6 C7* 146.8(12) . . . . ?
C2 C6* C6 C7* -6(2) . . . . ?
N1 C5 C6 C6* 97.7(13) . . . . ?
N1 C5 C6 N2 44.6(15) . . . . ?
C6* C5 C6 N2 -53.1(10) . . . . ?
N1 C5 C6 C7* -20(2) . . . . ?
C6* C5 C6 C7* -117(2) . . . . ?
C7 N2 C6 C6* 147.0(11) . . . . ?
C2* N2 C6 C6* 62.9(17) . . . . ?
C2 N2 C6 C6* 23.6(12) . . . . ?
C7* N2 C6 C6* 154.4(12) . . . . ?
Ru1 N2 C6 C6* -95.7(10) . . . . ?
C6* N2 C6 C5 63.6(13) . . . . ?
C7 N2 C6 C5 -149.4(10) . . . . ?
C2* N2 C6 C5 126.4(15) . . . . ?
C2 N2 C6 C5 87.2(12) . . . . ?
C7* N2 C6 C5 -142.0(13) . . . . ?
Ru1 N2 C6 C5 -32.1(12) . . . . ?
C6* N2 C6 C7* -154.4(12) . . . . ?
C7 N2 C6 C7* -7.4(8) . . . . ?
C2* N2 C6 C7* -91.6(14) . . . . ?
C2 N2 C6 C7* -130.9(8) . . . . ?
Ru1 N2 C6 C7* 109.9(6) . . . . ?
C6* N2 C2 C2* 164.4(12) . . . . ?
C7 N2 C2 C2* 26.0(11) . . . . ?
C6 N2 C2 C2* 148.0(10) . . . . ?
C7* N2 C2 C2* 68.5(14) . . . . ?
Ru1 N2 C2 C2* -98.2(9) . . . . ?
C7 N2 C2 C6* -138.4(9) . . . . ?
C2* N2 C2 C6* -164.4(12) . . . . ?
C6 N2 C2 C6* -16.4(9) . . . . ?
C7* N2 C2 C6* -95.9(12) . . . . ?
Ru1 N2 C2 C6* 97.4(8) . . . . ?
C6 C6* C2 C2* 17(2) . . . . ?
N2 C6* C2 C2* -15.8(12) . . . . ?
C5 C6* C2 C2* -90(3) . . . . ?
C6 C6* C2 N2 33.0(15) . . . . ?
C5 C6* C2 N2 -74(3) . . . . ?
C6* C2 C2* N2 13.8(10) . . . . ?
N2 C2 C2* C3* 93(7) . . . 3_666 ?
C6* C2 C2* C3* 107(7) . . . 3_666 ?
N2 C2 C2* C7 -22.0(8) . . . . ?
C6* C2 C2* C7 -8.2(16) . . . . ?
N2 C2 C2* C3 24(4) . . . 3_666 ?
C6* C2 C2* C3 38(4) . . . 3_666 ?
C6* N2 C2* C2 -15.7(12) . . . . ?
C7 N2 C2* C2 -154.7(10) . . . . ?
C6 N2 C2* C2 -55.2(16) . . . . ?
C7* N2 C2* C2 -135.2(10) . . . . ?
Ru1 N2 C2* C2 102.5(8) . . . . ?
C6* N2 C2* C3* 177.7(14) . . . 3_666 ?
C7 N2 C2* C3* 38.7(13) . . . 3_666 ?
C2 N2 C2* C3* -166.6(18) . . . 3_666 ?
C6 N2 C2* C3* 138.2(14) . . . 3_666 ?
C7* N2 C2* C3* 58.3(15) . . . 3_666 ?
Ru1 N2 C2* C3* -64.1(15) . . . 3_666 ?
C6* N2 C2* C7 138.9(10) . . . . ?
C2 N2 C2* C7 154.7(10) . . . . ?
C6 N2 C2* C7 99.5(13) . . . . ?
C7* N2 C2* C7 19.5(8) . . . . ?
Ru1 N2 C2* C7 -102.8(6) . . . . ?
C6* N2 C2* C3 173.4(10) . . . 3_666 ?
C7 N2 C2* C3 34.5(8) . . . 3_666 ?
C2 N2 C2* C3 -170.9(13) . . . 3_666 ?
C6 N2 C2* C3 133.9(12) . . . 3_666 ?
C7* N2 C2* C3 54.0(10) . . . 3_666 ?
Ru1 N2 C2* C3 -68.3(9) . . . 3_666 ?
C6* N2 C7 C7* 46.2(18) . . . . ?
C2* N2 C7 C7* 149.7(12) . . . . ?
C2 N2 C7 C7* 129.4(11) . . . . ?
C6 N2 C7 C7* 11.1(13) . . . . ?
Ru1 N2 C7 C7* -104.2(10) . . . . ?
C6* N2 C7 C3 -151.0(14) . . . 3_666 ?
C2* N2 C7 C3 -47.5(10) . . . 3_666 ?
C2 N2 C7 C3 -67.8(11) . . . 3_666 ?
C6 N2 C7 C3 173.9(10) . . . 3_666 ?
C7* N2 C7 C3 162.8(16) . . . 3_666 ?
Ru1 N2 C7 C3 58.7(10) . . . 3_666 ?
C6* N2 C7 C2* -103.5(15) . . . . ?
C2 N2 C7 C2* -20.3(8) . . . . ?
C6 N2 C7 C2* -138.7(9) . . . . ?
C7* N2 C7 C2* -149.7(12) . . . . ?
Ru1 N2 C7 C2* 106.1(6) . . . . ?
C6* N2 C7 C3* -132.2(14) . . . 3_666 ?
C2* N2 C7 C3* -28.6(8) . . . 3_666 ?
C2 N2 C7 C3* -49.0(10) . . . 3_666 ?
C6 N2 C7 C3* -167.3(8) . . . 3_666 ?
C7* N2 C7 C3* -178.4(14) . . . 3_666 ?
Ru1 N2 C7 C3* 77.5(7) . . . 3_666 ?
C2 C2* C7 C7* -14(2) . . . . ?
N2 C2* C7 C7* -39.5(14) . . . . ?
C3* C2* C7 C7* 177.7(17) 3_666 . . . ?
C3 C2* C7 C7* -173.0(18) 3_666 . . . ?
C2 C2* C7 N2 25.5(10) . . . . ?
C3* C2* C7 N2 -142.8(11) 3_666 . . . ?
C3 C2* C7 N2 -133.5(10) 3_666 . . . ?
C2 C2* C7 C3 158.9(14) . . . 3_666 ?
N2 C2* C7 C3 133.5(10) . . . 3_666 ?
C3* C2* C7 C3 -9.3(12) 3_666 . . 3_666 ?
C2 C2* C7 C3* 168.2(16) . . . 3_666 ?
N2 C2* C7 C3* 142.8(11) . . . 3_666 ?
C3 C2* C7 C3* 9.3(12) 3_666 . . 3_666 ?
C3 C7 C7* N2 -128(4) 3_666 . . . ?
C2* C7 C7* N2 33.0(12) . . . . ?
C3* C7 C7* N2 115(46) 3_666 . . . ?
N2 C7 C7* C6 -9.1(10) . . . . ?
C3 C7 C7* C6 -137(3) 3_666 . . . ?
C2* C7 C7* C6 23.9(19) . . . . ?
C3* C7 C7* C6 106(45) 3_666 . . . ?
C6* N2 C7* C7 -151.8(11) . . . . ?
C2* N2 C7* C7 -29.3(12) . . . . ?
C2 N2 C7* C7 -75.1(14) . . . . ?
C6 N2 C7* C7 -169.2(12) . . . . ?
Ru1 N2 C7* C7 91.6(10) . . . . ?
C6* N2 C7* C6 17.4(8) . . . . ?
C7 N2 C7* C6 169.2(12) . . . . ?
C2* N2 C7* C6 139.9(8) . . . . ?
C2 N2 C7* C6 94.1(11) . . . . ?
Ru1 N2 C7* C6 -99.2(6) . . . . ?
C6* C6 C7* C7 -14.4(19) . . . . ?
C5 C6 C7* C7 93(2) . . . . ?
N2 C6 C7* C7 10.0(11) . . . . ?
C6* C6 C7* N2 -24.4(11) . . . . ?
C5 C6 C7* N2 83.3(19) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.98
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.554
_refine_diff_density_min         -0.527
_refine_diff_density_rms         0.138
