# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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. 
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data_pg1291ru
_database_code_depnum_ccdc_archive 'CCDC 817082'
_audit_update_record             
;
2011-03-11 deposited with the CCDC.	2022-09-29 downloaded from the CCDC.
;
#TrackingRef 'PG1291Ru.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '2(C22 H29 Cl N4 O2 Ru), C7 H8'
_chemical_formula_sum            'C51 H66 Cl2 N8 O4 Ru2'
_chemical_formula_weight         1128.16

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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)/n
_symmetry_space_group_name_Hall  -P2yn

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

_cell_length_a                   14.6902(9)
_cell_length_b                   13.7174(9)
_cell_length_c                   24.6811(15)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.8260(10)
_cell_angle_gamma                90.00
_cell_volume                     4962.4(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    125(2)
_cell_measurement_reflns_used    9750
_cell_measurement_theta_min      2.23
_cell_measurement_theta_max      30.47

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.510
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2328
_exptl_absorpt_coefficient_mu    0.770
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.8019
_exptl_absorpt_correction_T_max  0.8739
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      125(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            77151
_diffrn_reflns_av_R_equivalents  0.0426
_diffrn_reflns_av_sigmaI/netI    0.0322
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         1.70
_diffrn_reflns_theta_max         30.03
_reflns_number_total             14511
_reflns_number_gt                11535
_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.

The p-cymene isopropyl group on molecule 1 exhibited a two-fold disorder
that was modeled and refined freely to 60/40 occupancy.
;

_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)+(0.0326P)²+2.6100P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         14511
_refine_ls_number_parameters     645
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0458
_refine_ls_R_factor_gt           0.0311
_refine_ls_wR_factor_ref         0.0776
_refine_ls_wR_factor_gt          0.0698
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.780725(10) 0.227649(11) 0.040244(6) 0.01758(4) Uani 1 1 d . A .
Ru2 Ru 0.295233(9) 0.277542(10) 0.051302(6) 0.01590(4) Uani 1 1 d . . .
Cl1 Cl 0.64058(3) 0.31796(4) 0.02208(2) 0.02471(10) Uani 1 1 d . . .
Cl2 Cl 0.14951(3) 0.19370(4) 0.05242(2) 0.02589(10) Uani 1 1 d . . .
O11 O 0.94087(11) 0.48475(12) 0.07796(6) 0.0362(4) Uani 1 1 d . . .
O12 O 0.75742(13) 0.40082(14) 0.20892(7) 0.0461(4) Uani 1 1 d . . .
O21 O 0.44999(11) 0.01341(11) 0.07753(6) 0.0307(3) Uani 1 1 d . . .
O22 O 0.36443(13) 0.17221(13) 0.21702(7) 0.0451(5) Uani 1 1 d . . .
N11 N 0.83531(11) 0.36005(12) 0.07226(7) 0.0230(3) Uani 1 1 d . . .
N12 N 0.89568(10) 0.33748(11) -0.03452(6) 0.0198(3) Uani 1 1 d . . .
N13 N 0.78140(11) 0.28425(12) -0.08244(7) 0.0222(3) Uani 1 1 d . . .
N14 N 0.83282(12) 0.33495(13) -0.11784(7) 0.0266(4) Uani 1 1 d . . .
N21 N 0.35482(11) 0.14619(12) 0.08226(7) 0.0204(3) Uani 1 1 d . . .
N22 N 0.38633(11) 0.15952(11) -0.03140(6) 0.0198(3) Uani 1 1 d . . .
N23 N 0.26355(11) 0.21241(12) -0.07050(7) 0.0227(3) Uani 1 1 d . . .
N24 N 0.30545(13) 0.15931(13) -0.10958(7) 0.0282(4) Uani 1 1 d . . .
C11 C 0.81744(13) 0.28467(13) -0.03088(8) 0.0197(4) Uani 1 1 d . . .
C12 C 0.90188(14) 0.36657(15) -0.08705(8) 0.0240(4) Uani 1 1 d . . .
H12G H 0.9502 0.4048 -0.0995 0.029 Uiso 1 1 calc R . .
C13 C 0.69492(15) 0.24111(16) -0.10463(9) 0.0294(5) Uani 1 1 d . . .
H13A H 0.6697 0.1995 -0.0759 0.035 Uiso 1 1 calc R . .
C14 C 0.71265(19) 0.1766(2) -0.15316(10) 0.0436(6) Uani 1 1 d . . .
H14B H 0.7580 0.1268 -0.1421 0.065 Uiso 1 1 calc R . .
H14C H 0.7357 0.2166 -0.1821 0.065 Uiso 1 1 calc R . .
H14D H 0.6557 0.1449 -0.1664 0.065 Uiso 1 1 calc R . .
C15 C 0.95931(13) 0.36091(15) 0.01184(8) 0.0238(4) Uani 1 1 d . . .
H15A H 1.0063 0.4067 0.0002 0.029 Uiso 1 1 calc R . .
H15B H 0.9905 0.3007 0.0251 0.029 Uiso 1 1 calc R . .
C16 C 0.90947(14) 0.40674(15) 0.05774(8) 0.0256(4) Uani 1 1 d . . .
C17 C 0.78587(15) 0.41044(16) 0.11395(8) 0.0279(4) Uani 1 1 d . . .
H17A H 0.7205 0.3929 0.1092 0.033 Uiso 1 1 calc R . .
H17B H 0.7908 0.4817 0.1084 0.033 Uiso 1 1 calc R . .
C18 C 0.81995(16) 0.38677(17) 0.17046(9) 0.0314(5) Uani 1 1 d . . .
C19 C 0.89832(18) 0.3548(2) 0.19437(10) 0.0415(6) Uani 1 1 d . . .
H19A H 0.9523 0.3395 0.1770 0.050 Uiso 1 1 calc R . .
C21 C 0.31114(13) 0.21328(13) -0.02193(8) 0.0194(4) Uani 1 1 d . . .
C22 C 0.38017(14) 0.12838(15) -0.08403(8) 0.0252(4) Uani 1 1 d . . .
H22G H 0.4246 0.0892 -0.0999 0.030 Uiso 1 1 calc R . .
C23 C 0.17303(14) 0.25419(17) -0.08523(9) 0.0290(5) Uani 1 1 d . . .
H23A H 0.1558 0.2980 -0.0552 0.035 Uiso 1 1 calc R . .
C24 C 0.10354(17) 0.1719(2) -0.09159(11) 0.0467(6) Uani 1 1 d . . .
H24B H 0.1052 0.1334 -0.0581 0.070 Uiso 1 1 calc R . .
H24C H 0.1184 0.1298 -0.1219 0.070 Uiso 1 1 calc R . .
H24D H 0.0424 0.1993 -0.0989 0.070 Uiso 1 1 calc R . .
C25 C 0.45885(12) 0.13662(14) 0.01001(8) 0.0206(4) Uani 1 1 d . . .
H25A H 0.4936 0.1966 0.0199 0.025 Uiso 1 1 calc R . .
H25B H 0.5015 0.0891 -0.0047 0.025 Uiso 1 1 calc R . .
C26 C 0.41930(13) 0.09418(14) 0.06048(8) 0.0219(4) Uani 1 1 d . . .
C27 C 0.31722(14) 0.09950(16) 0.13005(8) 0.0264(4) Uani 1 1 d . . .
H27A H 0.3015 0.0311 0.1206 0.032 Uiso 1 1 calc R . .
H27B H 0.2599 0.1333 0.1377 0.032 Uiso 1 1 calc R . .
C28 C 0.37875(15) 0.09951(15) 0.18059(8) 0.0263(4) Uani 1 1 d . . .
C29 C 0.44571(14) 0.04017(16) 0.20167(9) 0.0284(4) Uani 1 1 d . . .
H29A H 0.4691 -0.0157 0.1846 0.034 Uiso 1 1 calc R . .
C110 C 0.8858(2) 0.3478(2) 0.25152(10) 0.0470(7) Uani 1 1 d . . .
H11H H 0.9296 0.3274 0.2792 0.056 Uiso 1 1 calc R . .
C111 C 0.8005(2) 0.3758(2) 0.25781(11) 0.0584(8) Uani 1 1 d . . .
H11I H 0.7733 0.3780 0.2916 0.070 Uiso 1 1 calc R . .
C112 C 0.84592(15) 0.09041(14) 0.01859(9) 0.0277(4) Uani 1 1 d . A .
C113 C 0.88934(14) 0.12589(15) 0.06756(10) 0.0293(5) Uani 1 1 d . . .
H11G H 0.9545 0.1473 0.0684 0.035 Uiso 1 1 calc R . .
C114 C 0.83764(16) 0.14373(17) 0.11300(9) 0.0349(5) Uani 1 1 d . A .
H11F H 0.8669 0.1809 0.1444 0.042 Uiso 1 1 calc R . .
C115 C 0.74301(17) 0.12869(19) 0.11111(9) 0.0362(5) Uani 1 1 d . . .
C116 C 0.70066(14) 0.09780(16) 0.06073(10) 0.0315(5) Uani 1 1 d . A .
H11E H 0.6326 0.1013 0.0556 0.038 Uiso 1 1 calc R . .
C117 C 0.74983(15) 0.07539(15) 0.01577(9) 0.0290(5) Uani 1 1 d . . .
H11D H 0.7165 0.0620 -0.0201 0.035 Uiso 1 1 calc R A .
C118 C 0.9001(2) 0.07040(19) -0.02967(11) 0.0516(8) Uani 1 1 d . . .
H11A H 0.9138 0.0006 -0.0313 0.077 Uiso 1 1 calc R A .
H11B H 0.9572 0.1074 -0.0262 0.077 Uiso 1 1 calc R . .
H11C H 0.8646 0.0901 -0.0629 0.077 Uiso 1 1 calc R . .
C119 C 0.7099(5) 0.1676(6) 0.1659(2) 0.0304(17) Uani 0.397(9) 1 d P A 1
H11J H 0.7524 0.2183 0.1822 0.036 Uiso 0.397(9) 1 calc PR A 1
C120 C 0.6151(18) 0.2059(17) 0.1572(11) 0.045(6) Uani 0.397(9) 1 d P A 1
H12A H 0.5924 0.2239 0.1923 0.068 Uiso 0.397(9) 1 calc PR A 1
H12B H 0.5757 0.1555 0.1401 0.068 Uiso 0.397(9) 1 calc PR A 1
H12C H 0.6150 0.2634 0.1337 0.068 Uiso 0.397(9) 1 calc PR A 1
C121 C 0.7093(6) 0.0765(8) 0.2014(3) 0.047(2) Uani 0.397(9) 1 d P A 1
H12D H 0.6847 0.0928 0.2363 0.070 Uiso 0.397(9) 1 calc PR A 1
H12E H 0.7717 0.0518 0.2078 0.070 Uiso 0.397(9) 1 calc PR A 1
H12F H 0.6711 0.0264 0.1830 0.070 Uiso 0.397(9) 1 calc PR A 1
C19' C 0.6749(3) 0.1265(3) 0.15701(15) 0.0256(10) Uani 0.603(9) 1 d P A 2
H19B H 0.6415 0.0630 0.1548 0.031 Uiso 0.603(9) 1 calc PR A 2
C20' C 0.6037(12) 0.2104(9) 0.1506(7) 0.0301(19) Uani 0.603(9) 1 d P A 2
H20A H 0.5621 0.2066 0.1800 0.045 Uiso 0.603(9) 1 calc PR A 2
H20B H 0.5689 0.2042 0.1155 0.045 Uiso 0.603(9) 1 calc PR A 2
H20C H 0.6354 0.2734 0.1523 0.045 Uiso 0.603(9) 1 calc PR A 2
C21' C 0.7286(3) 0.1322(5) 0.21218(16) 0.0382(12) Uani 0.603(9) 1 d P A 2
H21K H 0.7730 0.0788 0.2153 0.057 Uiso 0.603(9) 1 calc PR A 2
H21L H 0.6865 0.1266 0.2412 0.057 Uiso 0.603(9) 1 calc PR A 2
H21M H 0.7607 0.1948 0.2154 0.057 Uiso 0.603(9) 1 calc PR A 2
C122 C 0.62633(16) 0.3209(2) -0.11987(10) 0.0395(6) Uani 1 1 d . . .
H12H H 0.6211 0.3647 -0.0888 0.059 Uiso 1 1 calc R . .
H12I H 0.5667 0.2916 -0.1299 0.059 Uiso 1 1 calc R . .
H12J H 0.6469 0.3580 -0.1507 0.059 Uiso 1 1 calc R . .
C210 C 0.47485(16) 0.07676(17) 0.25412(9) 0.0334(5) Uani 1 1 d . . .
H21I H 0.5207 0.0502 0.2788 0.040 Uiso 1 1 calc R . .
C211 C 0.4242(2) 0.1562(2) 0.26122(9) 0.0457(7) Uani 1 1 d . . .
H21J H 0.4290 0.1962 0.2927 0.055 Uiso 1 1 calc R . .
C212 C 0.36369(13) 0.40674(13) 0.02057(8) 0.0203(4) Uani 1 1 d . . .
C213 C 0.41340(13) 0.37244(13) 0.06794(8) 0.0200(4) Uani 1 1 d . . .
H21E H 0.4762 0.3455 0.0651 0.024 Uiso 1 1 calc R . .
C214 C 0.36989(13) 0.36182(14) 0.11755(8) 0.0213(4) Uani 1 1 d . . .
H21D H 0.4025 0.3251 0.1480 0.026 Uiso 1 1 calc R . .
C215 C 0.27723(13) 0.38445(14) 0.12142(8) 0.0205(4) Uani 1 1 d . . .
C216 C 0.22721(13) 0.41492(14) 0.07262(8) 0.0217(4) Uani 1 1 d . . .
H21G H 0.1591 0.4161 0.0719 0.026 Uiso 1 1 calc R . .
C217 C 0.26906(13) 0.42963(14) 0.02354(8) 0.0215(4) Uani 1 1 d . . .
H21F H 0.2303 0.4417 -0.0107 0.026 Uiso 1 1 calc R . .
C218 C 0.40830(14) 0.41841(15) -0.03200(8) 0.0255(4) Uani 1 1 d . . .
H21A H 0.4258 0.4867 -0.0365 0.038 Uiso 1 1 calc R . .
H21B H 0.3654 0.3990 -0.0622 0.038 Uiso 1 1 calc R . .
H21C H 0.4628 0.3771 -0.0316 0.038 Uiso 1 1 calc R . .
C219 C 0.23537(14) 0.37741(15) 0.17603(8) 0.0262(4) Uani 1 1 d . . .
H21H H 0.2628 0.3197 0.1958 0.031 Uiso 1 1 calc R . .
C220 C 0.13223(16) 0.3646(2) 0.17156(10) 0.0398(6) Uani 1 1 d . . .
H22D H 0.1161 0.3092 0.1477 0.060 Uiso 1 1 calc R . .
H22E H 0.1035 0.4239 0.1564 0.060 Uiso 1 1 calc R . .
H22F H 0.1108 0.3523 0.2077 0.060 Uiso 1 1 calc R . .
C221 C 0.26035(15) 0.46884(17) 0.20951(8) 0.0306(5) Uani 1 1 d . . .
H22A H 0.3269 0.4755 0.2137 0.046 Uiso 1 1 calc R . .
H22B H 0.2361 0.4631 0.2454 0.046 Uiso 1 1 calc R . .
H22C H 0.2340 0.5264 0.1909 0.046 Uiso 1 1 calc R . .
C222 C 0.17593(17) 0.31385(19) -0.13692(9) 0.0384(6) Uani 1 1 d . . .
H22H H 0.2274 0.3593 -0.1334 0.058 Uiso 1 1 calc R . .
H22I H 0.1189 0.3505 -0.1430 0.058 Uiso 1 1 calc R . .
H22J H 0.1833 0.2702 -0.1677 0.058 Uiso 1 1 calc R . .
C1S C -0.0761(3) 0.0540(5) 0.31913(15) 0.134(3) Uani 1 1 d . . .
H1SA H -0.1144 -0.0023 0.3266 0.201 Uiso 1 1 calc R . .
H1SB H -0.1145 0.1121 0.3138 0.201 Uiso 1 1 calc R . .
H1SC H -0.0315 0.0645 0.3499 0.201 Uiso 1 1 calc R . .
C2S C -0.02727(19) 0.0352(3) 0.26895(11) 0.0596(9) Uani 1 1 d . . .
C3S C -0.0194(3) -0.0571(3) 0.24790(18) 0.0892(15) Uani 1 1 d . . .
H3SA H -0.0459 -0.1110 0.2652 0.107 Uiso 1 1 calc R . .
C4S C 0.0276(4) -0.0715(3) 0.2011(2) 0.108(2) Uani 1 1 d . . .
H4SA H 0.0341 -0.1352 0.1868 0.130 Uiso 1 1 calc R . .
C5S C 0.0641(3) 0.0076(4) 0.17602(14) 0.0885(16) Uani 1 1 d . . .
H5SA H 0.0951 -0.0014 0.1438 0.106 Uiso 1 1 calc R . .
C6S C 0.0565(2) 0.0954(3) 0.19631(13) 0.0661(10) Uani 1 1 d . . .
H6SA H 0.0825 0.1494 0.1788 0.079 Uiso 1 1 calc R . .
C7S C 0.01152(19) 0.1102(2) 0.24228(12) 0.0521(7) Uani 1 1 d . . .
H7SA H 0.0071 0.1745 0.2561 0.063 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 C11 2.0274(19) . ?
Ru1 N11 2.1169(16) . ?
Ru1 C113 2.192(2) . ?
Ru1 C112 2.194(2) . ?
Ru1 C116 2.212(2) . ?
Ru1 C117 2.213(2) . ?
Ru1 C114 2.247(2) . ?
Ru1 C115 2.310(2) . ?
Ru1 Cl1 2.4188(5) . ?
Ru2 C21 2.0384(19) . ?
Ru2 N21 2.1230(16) . ?
Ru2 C213 2.1867(18) . ?
Ru2 C212 2.1976(18) . ?
Ru2 C216 2.2128(18) . ?
Ru2 C217 2.2214(19) . ?
Ru2 C214 2.2301(19) . ?
Ru2 C215 2.2971(19) . ?
Ru2 Cl2 2.4319(5) . ?
O11 C16 1.255(2) . ?
O12 C111 1.369(3) . ?
O12 C18 1.378(3) . ?
O21 C26 1.258(2) . ?
O22 C28 1.368(3) . ?
O22 C211 1.372(3) . ?
N11 C16 1.333(3) . ?
N11 C17 1.471(3) . ?
N12 C12 1.365(2) . ?
N12 C11 1.367(2) . ?
N12 C15 1.464(2) . ?
N13 C11 1.345(2) . ?
N13 N14 1.380(2) . ?
N13 C13 1.473(3) . ?
N14 C12 1.301(3) . ?
N21 C26 1.328(2) . ?
N21 C27 1.481(2) . ?
N22 C21 1.361(2) . ?
N22 C22 1.365(2) . ?
N22 C25 1.460(2) . ?
N23 C21 1.347(2) . ?
N23 N24 1.385(2) . ?
N23 C23 1.471(3) . ?
N24 C22 1.300(3) . ?
C12 H12G 0.9500 . ?
C13 C122 1.518(3) . ?
C13 C14 1.525(3) . ?
C13 H13A 1.0000 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C14 H14D 0.9800 . ?
C15 C16 1.525(3) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C17 C18 1.486(3) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.332(3) . ?
C19 C110 1.438(4) . ?
C19 H19A 0.9500 . ?
C22 H22G 0.9500 . ?
C23 C222 1.519(3) . ?
C23 C24 1.523(3) . ?
C23 H23A 1.0000 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C24 H24D 0.9800 . ?
C25 C26 1.525(3) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C27 C28 1.491(3) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.354(3) . ?
C29 C210 1.427(3) . ?
C29 H29A 0.9500 . ?
C110 C111 1.328(4) . ?
C110 H11H 0.9500 . ?
C111 H11I 0.9500 . ?
C112 C113 1.415(3) . ?
C112 C117 1.424(3) . ?
C112 C118 1.501(3) . ?
C113 C114 1.417(3) . ?
C113 H11G 1.0000 . ?
C114 C115 1.403(3) . ?
C114 H11F 1.0000 . ?
C115 C116 1.417(3) . ?
C115 C19' 1.561(4) . ?
C115 C119 1.562(6) . ?
C116 C117 1.398(3) . ?
C116 H11E 1.0000 . ?
C117 H11D 1.0000 . ?
C118 H11A 0.9800 . ?
C118 H11B 0.9800 . ?
C118 H11C 0.9800 . ?
C119 C120 1.49(3) . ?
C119 C121 1.528(11) . ?
C119 H11J 1.0000 . ?
C120 H12A 0.9800 . ?
C120 H12B 0.9800 . ?
C120 H12C 0.9800 . ?
C121 H12D 0.9800 . ?
C121 H12E 0.9800 . ?
C121 H12F 0.9800 . ?
C19' C21' 1.529(6) . ?
C19' C20' 1.556(15) . ?
C19' H19B 1.0000 . ?
C20' H20A 0.9800 . ?
C20' H20B 0.9800 . ?
C20' H20C 0.9800 . ?
C21' H21K 0.9800 . ?
C21' H21L 0.9800 . ?
C21' H21M 0.9800 . ?
C122 H12H 0.9800 . ?
C122 H12I 0.9800 . ?
C122 H12J 0.9800 . ?
C210 C211 1.337(4) . ?
C210 H21I 0.9500 . ?
C211 H21J 0.9500 . ?
C212 C213 1.417(3) . ?
C212 C217 1.432(3) . ?
C212 C218 1.501(3) . ?
C213 C214 1.426(3) . ?
C213 H21E 1.0000 . ?
C214 C215 1.406(3) . ?
C214 H21D 1.0000 . ?
C215 C216 1.431(3) . ?
C215 C219 1.521(3) . ?
C216 C217 1.409(3) . ?
C216 H21G 1.0000 . ?
C217 H21F 1.0000 . ?
C218 H21A 0.9800 . ?
C218 H21B 0.9800 . ?
C218 H21C 0.9800 . ?
C219 C220 1.522(3) . ?
C219 C221 1.533(3) . ?
C219 H21H 1.0000 . ?
C220 H22D 0.9800 . ?
C220 H22E 0.9800 . ?
C220 H22F 0.9800 . ?
C221 H22A 0.9800 . ?
C221 H22B 0.9800 . ?
C221 H22C 0.9800 . ?
C222 H22H 0.9800 . ?
C222 H22I 0.9800 . ?
C222 H22J 0.9800 . ?
C1S C2S 1.495(5) . ?
C1S H1SA 0.9800 . ?
C1S H1SB 0.9800 . ?
C1S H1SC 0.9800 . ?
C2S C7S 1.365(4) . ?
C2S C3S 1.377(6) . ?
C3S C4S 1.398(7) . ?
C3S H3SA 0.9500 . ?
C4S C5S 1.376(7) . ?
C4S H4SA 0.9500 . ?
C5S C6S 1.312(5) . ?
C5S H5SA 0.9500 . ?
C6S C7S 1.365(4) . ?
C6S H6SA 0.9500 . ?
C7S H7SA 0.9500 . ?

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
C11 Ru1 N11 82.89(7) . . ?
C11 Ru1 C113 106.36(8) . . ?
N11 Ru1 C113 100.47(7) . . ?
C11 Ru1 C112 88.53(7) . . ?
N11 Ru1 C112 131.79(8) . . ?
C113 Ru1 C112 37.63(8) . . ?
C11 Ru1 C116 133.23(8) . . ?
N11 Ru1 C116 143.09(8) . . ?
C113 Ru1 C116 78.71(8) . . ?
C112 Ru1 C116 67.18(8) . . ?
C11 Ru1 C117 100.91(8) . . ?
N11 Ru1 C117 167.79(7) . . ?
C113 Ru1 C117 67.34(8) . . ?
C112 Ru1 C117 37.69(8) . . ?
C116 Ru1 C117 36.84(8) . . ?
C11 Ru1 C114 141.57(8) . . ?
N11 Ru1 C114 91.71(8) . . ?
C113 Ru1 C114 37.21(8) . . ?
C112 Ru1 C114 67.04(8) . . ?
C116 Ru1 C114 65.15(9) . . ?
C117 Ru1 C114 78.06(8) . . ?
C11 Ru1 C115 166.70(8) . . ?
N11 Ru1 C115 109.00(8) . . ?
C113 Ru1 C115 66.39(8) . . ?
C112 Ru1 C115 79.10(8) . . ?
C116 Ru1 C115 36.45(9) . . ?
C117 Ru1 C115 66.23(9) . . ?
C114 Ru1 C115 35.83(9) . . ?
C11 Ru1 Cl1 85.08(5) . . ?
N11 Ru1 Cl1 85.77(5) . . ?
C113 Ru1 Cl1 167.47(6) . . ?
C112 Ru1 Cl1 140.73(6) . . ?
C116 Ru1 Cl1 89.76(6) . . ?
C117 Ru1 Cl1 106.04(6) . . ?
C114 Ru1 Cl1 132.63(6) . . ?
C115 Ru1 Cl1 101.37(6) . . ?
C21 Ru2 N21 83.29(7) . . ?
C21 Ru2 C213 106.70(7) . . ?
N21 Ru2 C213 97.73(7) . . ?
C21 Ru2 C212 87.74(7) . . ?
N21 Ru2 C212 128.42(7) . . ?
C213 Ru2 C212 37.71(7) . . ?
C21 Ru2 C216 131.25(7) . . ?
N21 Ru2 C216 144.99(7) . . ?
C213 Ru2 C216 79.27(7) . . ?
C212 Ru2 C216 67.64(7) . . ?
C21 Ru2 C217 99.23(7) . . ?
N21 Ru2 C217 165.19(7) . . ?
C213 Ru2 C217 67.52(7) . . ?
C212 Ru2 C217 37.81(7) . . ?
C216 Ru2 C217 37.05(7) . . ?
C21 Ru2 C214 142.60(7) . . ?
N21 Ru2 C214 90.30(7) . . ?
C213 Ru2 C214 37.66(7) . . ?
C212 Ru2 C214 67.73(7) . . ?
C216 Ru2 C214 65.92(7) . . ?
C217 Ru2 C214 78.80(7) . . ?
C21 Ru2 C215 165.91(7) . . ?
N21 Ru2 C215 109.64(7) . . ?
C213 Ru2 C215 66.94(7) . . ?
C212 Ru2 C215 79.83(7) . . ?
C216 Ru2 C215 36.93(7) . . ?
C217 Ru2 C215 66.83(7) . . ?
C214 Ru2 C215 36.14(7) . . ?
C21 Ru2 Cl2 87.63(5) . . ?
N21 Ru2 Cl2 86.37(4) . . ?
C213 Ru2 Cl2 165.42(5) . . ?
C212 Ru2 Cl2 143.97(5) . . ?
C216 Ru2 Cl2 89.33(5) . . ?
C217 Ru2 Cl2 108.25(5) . . ?
C214 Ru2 Cl2 128.83(5) . . ?
C215 Ru2 Cl2 98.50(5) . . ?
C111 O12 C18 106.3(2) . . ?
C28 O22 C211 106.69(18) . . ?
C16 N11 C17 114.37(17) . . ?
C16 N11 Ru1 127.43(14) . . ?
C17 N11 Ru1 118.16(12) . . ?
C12 N12 C11 109.09(16) . . ?
C12 N12 C15 126.76(16) . . ?
C11 N12 C15 124.12(16) . . ?
C11 N13 N14 113.52(16) . . ?
C11 N13 C13 128.94(17) . . ?
N14 N13 C13 117.49(16) . . ?
C12 N14 N13 103.69(16) . . ?
C26 N21 C27 113.84(16) . . ?
C26 N21 Ru2 126.76(13) . . ?
C27 N21 Ru2 119.13(12) . . ?
C21 N22 C22 109.27(16) . . ?
C21 N22 C25 123.97(16) . . ?
C22 N22 C25 126.70(16) . . ?
C21 N23 N24 113.33(16) . . ?
C21 N23 C23 128.56(17) . . ?
N24 N23 C23 117.97(16) . . ?
C22 N24 N23 103.52(16) . . ?
N13 C11 N12 102.69(16) . . ?
N13 C11 Ru1 134.97(14) . . ?
N12 C11 Ru1 122.33(14) . . ?
N14 C12 N12 111.01(17) . . ?
N14 C12 H12G 124.5 . . ?
N12 C12 H12G 124.5 . . ?
N13 C13 C122 110.12(18) . . ?
N13 C13 C14 109.68(19) . . ?
C122 C13 C14 111.7(2) . . ?
N13 C13 H13A 108.4 . . ?
C122 C13 H13A 108.4 . . ?
C14 C13 H13A 108.4 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C14 H14D 109.5 . . ?
H14B C14 H14D 109.5 . . ?
H14C C14 H14D 109.5 . . ?
N12 C15 C16 110.98(15) . . ?
N12 C15 H15A 109.4 . . ?
C16 C15 H15A 109.4 . . ?
N12 C15 H15B 109.4 . . ?
C16 C15 H15B 109.4 . . ?
H15A C15 H15B 108.0 . . ?
O11 C16 N11 126.0(2) . . ?
O11 C16 C15 117.71(18) . . ?
N11 C16 C15 116.30(17) . . ?
N11 C17 C18 113.75(18) . . ?
N11 C17 H17A 108.8 . . ?
C18 C17 H17A 108.8 . . ?
N11 C17 H17B 108.8 . . ?
C18 C17 H17B 108.8 . . ?
H17A C17 H17B 107.7 . . ?
C19 C18 O12 109.7(2) . . ?
C19 C18 C17 135.6(2) . . ?
O12 C18 C17 114.7(2) . . ?
C18 C19 C110 107.0(2) . . ?
C18 C19 H19A 126.5 . . ?
C110 C19 H19A 126.5 . . ?
N23 C21 N22 102.79(16) . . ?
N23 C21 Ru2 135.21(14) . . ?
N22 C21 Ru2 121.93(13) . . ?
N24 C22 N22 111.09(18) . . ?
N24 C22 H22G 124.5 . . ?
N22 C22 H22G 124.5 . . ?
N23 C23 C222 110.00(18) . . ?
N23 C23 C24 108.96(19) . . ?
C222 C23 C24 111.7(2) . . ?
N23 C23 H23A 108.7 . . ?
C222 C23 H23A 108.7 . . ?
C24 C23 H23A 108.7 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C24 H24D 109.5 . . ?
H24B C24 H24D 109.5 . . ?
H24C C24 H24D 109.5 . . ?
N22 C25 C26 110.73(15) . . ?
N22 C25 H25A 109.5 . . ?
C26 C25 H25A 109.5 . . ?
N22 C25 H25B 109.5 . . ?
C26 C25 H25B 109.5 . . ?
H25A C25 H25B 108.1 . . ?
O21 C26 N21 125.97(19) . . ?
O21 C26 C25 117.51(17) . . ?
N21 C26 C25 116.53(17) . . ?
N21 C27 C28 115.39(16) . . ?
N21 C27 H27A 108.4 . . ?
C28 C27 H27A 108.4 . . ?
N21 C27 H27B 108.4 . . ?
C28 C27 H27B 108.4 . . ?
H27A C27 H27B 107.5 . . ?
C29 C28 O22 108.99(19) . . ?
C29 C28 C27 134.9(2) . . ?
O22 C28 C27 116.02(18) . . ?
C28 C29 C210 107.7(2) . . ?
C28 C29 H29A 126.2 . . ?
C210 C29 H29A 126.2 . . ?
C111 C110 C19 106.2(2) . . ?
C111 C110 H11H 126.9 . . ?
C19 C110 H11H 126.9 . . ?
C110 C111 O12 110.7(3) . . ?
C110 C111 H11I 124.6 . . ?
O12 C111 H11I 124.6 . . ?
C113 C112 C117 118.72(19) . . ?
C113 C112 C118 120.5(2) . . ?
C117 C112 C118 120.7(2) . . ?
C113 C112 Ru1 71.09(12) . . ?
C117 C112 Ru1 71.86(12) . . ?
C118 C112 Ru1 127.82(15) . . ?
C112 C113 C114 120.0(2) . . ?
C112 C113 Ru1 71.27(12) . . ?
C114 C113 Ru1 73.50(12) . . ?
C112 C113 H11G 119.7 . . ?
C114 C113 H11G 119.7 . . ?
Ru1 C113 H11G 119.7 . . ?
C115 C114 C113 122.0(2) . . ?
C115 C114 Ru1 74.56(12) . . ?
C113 C114 Ru1 69.29(12) . . ?
C115 C114 H11F 118.4 . . ?
C113 C114 H11F 118.4 . . ?
Ru1 C114 H11F 118.4 . . ?
C114 C115 C116 116.7(2) . . ?
C114 C115 C19' 131.3(3) . . ?
C116 C115 C19' 111.5(3) . . ?
C114 C115 C119 106.6(3) . . ?
C116 C115 C119 135.9(3) . . ?
C19' C115 C119 29.1(2) . . ?
C114 C115 Ru1 69.62(13) . . ?
C116 C115 Ru1 67.98(12) . . ?
C19' C115 Ru1 139.31(19) . . ?
C119 C115 Ru1 124.0(3) . . ?
C117 C116 C115 122.8(2) . . ?
C117 C116 Ru1 71.63(12) . . ?
C115 C116 Ru1 75.57(13) . . ?
C117 C116 H11E 118.3 . . ?
C115 C116 H11E 118.3 . . ?
Ru1 C116 H11E 118.3 . . ?
C116 C117 C112 119.5(2) . . ?
C116 C117 Ru1 71.53(12) . . ?
C112 C117 Ru1 70.46(12) . . ?
C116 C117 H11D 119.7 . . ?
C112 C117 H11D 119.7 . . ?
Ru1 C117 H11D 119.7 . . ?
C112 C118 H11A 109.5 . . ?
C112 C118 H11B 109.5 . . ?
H11A C118 H11B 109.5 . . ?
C112 C118 H11C 109.5 . . ?
H11A C118 H11C 109.5 . . ?
H11B C118 H11C 109.5 . . ?
C120 C119 C121 109.2(11) . . ?
C120 C119 C115 109.8(11) . . ?
C121 C119 C115 103.4(6) . . ?
C120 C119 H11J 111.4 . . ?
C121 C119 H11J 111.4 . . ?
C115 C119 H11J 111.4 . . ?
C21' C19' C20' 110.8(7) . . ?
C21' C19' C115 109.2(4) . . ?
C20' C19' C115 111.8(6) . . ?
C21' C19' H19B 108.3 . . ?
C20' C19' H19B 108.3 . . ?
C115 C19' H19B 108.3 . . ?
C19' C20' H20A 109.5 . . ?
C19' C20' H20B 109.5 . . ?
H20A C20' H20B 109.5 . . ?
C19' C20' H20C 109.5 . . ?
H20A C20' H20C 109.5 . . ?
H20B C20' H20C 109.5 . . ?
C19' C21' H21K 109.5 . . ?
C19' C21' H21L 109.5 . . ?
H21K C21' H21L 109.5 . . ?
C19' C21' H21M 109.5 . . ?
H21K C21' H21M 109.5 . . ?
H21L C21' H21M 109.5 . . ?
C13 C122 H12H 109.5 . . ?
C13 C122 H12I 109.5 . . ?
H12H C122 H12I 109.5 . . ?
C13 C122 H12J 109.5 . . ?
H12H C122 H12J 109.5 . . ?
H12I C122 H12J 109.5 . . ?
C211 C210 C29 105.6(2) . . ?
C211 C210 H21I 127.2 . . ?
C29 C210 H21I 127.2 . . ?
C210 C211 O22 111.0(2) . . ?
C210 C211 H21J 124.5 . . ?
O22 C211 H21J 124.5 . . ?
C213 C212 C217 118.64(17) . . ?
C213 C212 C218 121.20(17) . . ?
C217 C212 C218 120.16(18) . . ?
C213 C212 Ru2 70.73(11) . . ?
C217 C212 Ru2 72.00(11) . . ?
C218 C212 Ru2 128.37(13) . . ?
C212 C213 C214 120.43(17) . . ?
C212 C213 Ru2 71.56(11) . . ?
C214 C213 Ru2 72.82(11) . . ?
C212 C213 H21E 119.4 . . ?
C214 C213 H21E 119.4 . . ?
Ru2 C213 H21E 119.4 . . ?
C215 C214 C213 121.83(18) . . ?
C215 C214 Ru2 74.53(11) . . ?
C213 C214 Ru2 69.52(10) . . ?
C215 C214 H21D 118.5 . . ?
C213 C214 H21D 118.5 . . ?
Ru2 C214 H21D 118.5 . . ?
C214 C215 C216 116.91(17) . . ?
C214 C215 C219 119.79(17) . . ?
C216 C215 C219 123.30(17) . . ?
C214 C215 Ru2 69.33(11) . . ?
C216 C215 Ru2 68.33(10) . . ?
C219 C215 Ru2 134.47(14) . . ?
C217 C216 C215 122.45(17) . . ?
C217 C216 Ru2 71.80(11) . . ?
C215 C216 Ru2 74.74(11) . . ?
C217 C216 H21G 118.4 . . ?
C215 C216 H21G 118.4 . . ?
Ru2 C216 H21G 118.4 . . ?
C216 C217 C212 119.56(18) . . ?
C216 C217 Ru2 71.14(11) . . ?
C212 C217 Ru2 70.19(11) . . ?
C216 C217 H21F 119.5 . . ?
C212 C217 H21F 119.5 . . ?
Ru2 C217 H21F 119.5 . . ?
C212 C218 H21A 109.5 . . ?
C212 C218 H21B 109.5 . . ?
H21A C218 H21B 109.5 . . ?
C212 C218 H21C 109.5 . . ?
H21A C218 H21C 109.5 . . ?
H21B C218 H21C 109.5 . . ?
C215 C219 C220 113.73(18) . . ?
C215 C219 C221 109.22(17) . . ?
C220 C219 C221 109.58(18) . . ?
C215 C219 H21H 108.0 . . ?
C220 C219 H21H 108.0 . . ?
C221 C219 H21H 108.0 . . ?
C219 C220 H22D 109.5 . . ?
C219 C220 H22E 109.5 . . ?
H22D C220 H22E 109.5 . . ?
C219 C220 H22F 109.5 . . ?
H22D C220 H22F 109.5 . . ?
H22E C220 H22F 109.5 . . ?
C219 C221 H22A 109.5 . . ?
C219 C221 H22B 109.5 . . ?
H22A C221 H22B 109.5 . . ?
C219 C221 H22C 109.5 . . ?
H22A C221 H22C 109.5 . . ?
H22B C221 H22C 109.5 . . ?
C23 C222 H22H 109.5 . . ?
C23 C222 H22I 109.5 . . ?
H22H C222 H22I 109.5 . . ?
C23 C222 H22J 109.5 . . ?
H22H C222 H22J 109.5 . . ?
H22I C222 H22J 109.5 . . ?
C2S C1S H1SA 109.5 . . ?
C2S C1S H1SB 109.5 . . ?
H1SA C1S H1SB 109.5 . . ?
C2S C1S H1SC 109.5 . . ?
H1SA C1S H1SC 109.5 . . ?
H1SB C1S H1SC 109.5 . . ?
C7S C2S C3S 117.5(3) . . ?
C7S C2S C1S 120.6(4) . . ?
C3S C2S C1S 121.9(4) . . ?
C2S C3S C4S 120.0(4) . . ?
C2S C3S H3SA 120.0 . . ?
C4S C3S H3SA 120.0 . . ?
C5S C4S C3S 119.3(4) . . ?
C5S C4S H4SA 120.4 . . ?
C3S C4S H4SA 120.4 . . ?
C6S C5S C4S 120.4(4) . . ?
C6S C5S H5SA 119.8 . . ?
C4S C5S H5SA 119.8 . . ?
C5S C6S C7S 120.8(4) . . ?
C5S C6S H6SA 119.6 . . ?
C7S C6S H6SA 119.6 . . ?
C6S C7S C2S 122.0(3) . . ?
C6S C7S H7SA 119.0 . . ?
C2S C7S H7SA 119.0 . . ?

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
C11 Ru1 N11 C16 -39.03(18) . . . . ?
C113 Ru1 N11 C16 66.37(19) . . . . ?
C112 Ru1 N11 C16 42.6(2) . . . . ?
C116 Ru1 N11 C16 151.46(17) . . . . ?
C117 Ru1 N11 C16 70.0(4) . . . . ?
C114 Ru1 N11 C16 102.79(18) . . . . ?
C115 Ru1 N11 C16 134.83(17) . . . . ?
Cl1 Ru1 N11 C16 -124.59(17) . . . . ?
C11 Ru1 N11 C17 138.48(15) . . . . ?
C113 Ru1 N11 C17 -116.11(15) . . . . ?
C112 Ru1 N11 C17 -139.92(14) . . . . ?
C116 Ru1 N11 C17 -31.0(2) . . . . ?
C117 Ru1 N11 C17 -112.5(3) . . . . ?
C114 Ru1 N11 C17 -79.70(15) . . . . ?
C115 Ru1 N11 C17 -47.65(16) . . . . ?
Cl1 Ru1 N11 C17 52.92(14) . . . . ?
C11 N13 N14 C12 0.2(2) . . . . ?
C13 N13 N14 C12 177.96(18) . . . . ?
C21 Ru2 N21 C26 35.41(17) . . . . ?
C213 Ru2 N21 C26 -70.62(17) . . . . ?
C212 Ru2 N21 C26 -46.31(19) . . . . ?
C216 Ru2 N21 C26 -152.93(15) . . . . ?
C217 Ru2 N21 C26 -65.4(3) . . . . ?
C214 Ru2 N21 C26 -107.65(17) . . . . ?
C215 Ru2 N21 C26 -138.82(16) . . . . ?
Cl2 Ru2 N21 C26 123.44(16) . . . . ?
C21 Ru2 N21 C27 -138.23(15) . . . . ?
C213 Ru2 N21 C27 115.74(14) . . . . ?
C212 Ru2 N21 C27 140.05(14) . . . . ?
C216 Ru2 N21 C27 33.4(2) . . . . ?
C217 Ru2 N21 C27 121.0(3) . . . . ?
C214 Ru2 N21 C27 78.71(15) . . . . ?
C215 Ru2 N21 C27 47.53(15) . . . . ?
Cl2 Ru2 N21 C27 -50.20(14) . . . . ?
C21 N23 N24 C22 -0.5(2) . . . . ?
C23 N23 N24 C22 -176.73(18) . . . . ?
N14 N13 C11 N12 -0.6(2) . . . . ?
C13 N13 C11 N12 -178.01(19) . . . . ?
N14 N13 C11 Ru1 179.88(15) . . . . ?
C13 N13 C11 Ru1 2.5(3) . . . . ?
C12 N12 C11 N13 0.7(2) . . . . ?
C15 N12 C11 N13 178.56(17) . . . . ?
C12 N12 C11 Ru1 -179.67(13) . . . . ?
C15 N12 C11 Ru1 -1.8(2) . . . . ?
N11 Ru1 C11 N13 -142.9(2) . . . . ?
C113 Ru1 C11 N13 118.3(2) . . . . ?
C112 Ru1 C11 N13 84.7(2) . . . . ?
C116 Ru1 C11 N13 28.5(2) . . . . ?
C117 Ru1 C11 N13 48.9(2) . . . . ?
C114 Ru1 C11 N13 133.40(19) . . . . ?
C115 Ru1 C11 N13 63.2(4) . . . . ?
Cl1 Ru1 C11 N13 -56.51(19) . . . . ?
N11 Ru1 C11 N12 37.71(15) . . . . ?
C113 Ru1 C11 N12 -61.16(16) . . . . ?
C112 Ru1 C11 N12 -94.74(16) . . . . ?
C116 Ru1 C11 N12 -150.92(14) . . . . ?
C117 Ru1 C11 N12 -130.53(15) . . . . ?
C114 Ru1 C11 N12 -46.0(2) . . . . ?
C115 Ru1 C11 N12 -116.2(3) . . . . ?
Cl1 Ru1 C11 N12 124.05(15) . . . . ?
N13 N14 C12 N12 0.3(2) . . . . ?
C11 N12 C12 N14 -0.7(2) . . . . ?
C15 N12 C12 N14 -178.41(18) . . . . ?
C11 N13 C13 C122 108.2(2) . . . . ?
N14 N13 C13 C122 -69.1(2) . . . . ?
C11 N13 C13 C14 -128.6(2) . . . . ?
N14 N13 C13 C14 54.1(2) . . . . ?
C12 N12 C15 C16 125.7(2) . . . . ?
C11 N12 C15 C16 -51.7(2) . . . . ?
C17 N11 C16 O11 3.3(3) . . . . ?
Ru1 N11 C16 O11 -179.09(17) . . . . ?
C17 N11 C16 C15 -175.90(17) . . . . ?
Ru1 N11 C16 C15 1.7(3) . . . . ?
N12 C15 C16 O11 -129.9(2) . . . . ?
N12 C15 C16 N11 49.4(2) . . . . ?
C16 N11 C17 C18 -87.3(2) . . . . ?
Ru1 N11 C17 C18 94.86(18) . . . . ?
C111 O12 C18 C19 -0.2(3) . . . . ?
C111 O12 C18 C17 -179.9(2) . . . . ?
N11 C17 C18 C19 24.0(4) . . . . ?
N11 C17 C18 O12 -156.45(18) . . . . ?
O12 C18 C19 C110 0.0(3) . . . . ?
C17 C18 C19 C110 179.6(3) . . . . ?
N24 N23 C21 N22 0.8(2) . . . . ?
C23 N23 C21 N22 176.47(19) . . . . ?
N24 N23 C21 Ru2 177.45(15) . . . . ?
C23 N23 C21 Ru2 -6.9(3) . . . . ?
C22 N22 C21 N23 -0.7(2) . . . . ?
C25 N22 C21 N23 -178.18(17) . . . . ?
C22 N22 C21 Ru2 -177.94(13) . . . . ?
C25 N22 C21 Ru2 4.6(2) . . . . ?
N21 Ru2 C21 N23 144.9(2) . . . . ?
C213 Ru2 C21 N23 -118.98(19) . . . . ?
C212 Ru2 C21 N23 -86.0(2) . . . . ?
C216 Ru2 C21 N23 -28.7(2) . . . . ?
C217 Ru2 C21 N23 -49.8(2) . . . . ?
C214 Ru2 C21 N23 -133.41(18) . . . . ?
C215 Ru2 C21 N23 -57.9(4) . . . . ?
Cl2 Ru2 C21 N23 58.31(19) . . . . ?
N21 Ru2 C21 N22 -38.89(15) . . . . ?
C213 Ru2 C21 N22 57.20(16) . . . . ?
C212 Ru2 C21 N22 90.22(15) . . . . ?
C216 Ru2 C21 N22 147.46(14) . . . . ?
C217 Ru2 C21 N22 126.37(15) . . . . ?
C214 Ru2 C21 N22 42.8(2) . . . . ?
C215 Ru2 C21 N22 118.2(3) . . . . ?
Cl2 Ru2 C21 N22 -125.51(15) . . . . ?
N23 N24 C22 N22 0.1(2) . . . . ?
C21 N22 C22 N24 0.4(2) . . . . ?
C25 N22 C22 N24 177.81(18) . . . . ?
C21 N23 C23 C222 131.6(2) . . . . ?
N24 N23 C23 C222 -52.9(2) . . . . ?
C21 N23 C23 C24 -105.7(2) . . . . ?
N24 N23 C23 C24 69.8(2) . . . . ?
C21 N22 C25 C26 50.9(2) . . . . ?
C22 N22 C25 C26 -126.1(2) . . . . ?
C27 N21 C26 O21 -1.5(3) . . . . ?
Ru2 N21 C26 O21 -175.39(15) . . . . ?
C27 N21 C26 C25 178.14(16) . . . . ?
Ru2 N21 C26 C25 4.2(2) . . . . ?
N22 C25 C26 O21 126.08(19) . . . . ?
N22 C25 C26 N21 -53.6(2) . . . . ?
C26 N21 C27 C28 72.9(2) . . . . ?
Ru2 N21 C27 C28 -112.71(17) . . . . ?
C211 O22 C28 C29 -0.1(3) . . . . ?
C211 O22 C28 C27 176.98(19) . . . . ?
N21 C27 C28 C29 -86.7(3) . . . . ?
N21 C27 C28 O22 97.2(2) . . . . ?
O22 C28 C29 C210 0.3(2) . . . . ?
C27 C28 C29 C210 -175.9(2) . . . . ?
C18 C19 C110 C111 0.2(3) . . . . ?
C19 C110 C111 O12 -0.4(3) . . . . ?
C18 O12 C111 C110 0.4(3) . . . . ?
C11 Ru1 C112 C113 119.65(13) . . . . ?
N11 Ru1 C112 C113 40.54(16) . . . . ?
C116 Ru1 C112 C113 -101.40(14) . . . . ?
C117 Ru1 C112 C113 -130.29(18) . . . . ?
C114 Ru1 C112 C113 -29.87(13) . . . . ?
C115 Ru1 C112 C113 -65.27(13) . . . . ?
Cl1 Ru1 C112 C113 -159.95(10) . . . . ?
C11 Ru1 C112 C117 -110.05(13) . . . . ?
N11 Ru1 C112 C117 170.84(11) . . . . ?
C113 Ru1 C112 C117 130.29(18) . . . . ?
C116 Ru1 C112 C117 28.89(12) . . . . ?
C114 Ru1 C112 C117 100.42(14) . . . . ?
C115 Ru1 C112 C117 65.02(13) . . . . ?
Cl1 Ru1 C112 C117 -29.66(16) . . . . ?
C11 Ru1 C112 C118 5.2(2) . . . . ?
N11 Ru1 C112 C118 -73.9(3) . . . . ?
C113 Ru1 C112 C118 -114.4(3) . . . . ?
C116 Ru1 C112 C118 144.2(3) . . . . ?
C117 Ru1 C112 C118 115.3(3) . . . . ?
C114 Ru1 C112 C118 -144.3(3) . . . . ?
C115 Ru1 C112 C118 -179.7(2) . . . . ?
Cl1 Ru1 C112 C118 85.6(2) . . . . ?
C117 C112 C113 C114 1.4(3) . . . . ?
C118 C112 C113 C114 -179.5(2) . . . . ?
Ru1 C112 C113 C114 57.14(18) . . . . ?
C117 C112 C113 Ru1 -55.74(17) . . . . ?
C118 C112 C113 Ru1 123.40(19) . . . . ?
C11 Ru1 C113 C112 -64.88(13) . . . . ?
N11 Ru1 C113 C112 -150.47(12) . . . . ?
C116 Ru1 C113 C112 67.13(13) . . . . ?
C117 Ru1 C113 C112 30.35(12) . . . . ?
C114 Ru1 C113 C112 130.68(19) . . . . ?
C115 Ru1 C113 C112 103.24(14) . . . . ?
Cl1 Ru1 C113 C112 90.5(3) . . . . ?
C11 Ru1 C113 C114 164.44(13) . . . . ?
N11 Ru1 C113 C114 78.85(14) . . . . ?
C112 Ru1 C113 C114 -130.68(19) . . . . ?
C116 Ru1 C113 C114 -63.55(14) . . . . ?
C117 Ru1 C113 C114 -100.32(15) . . . . ?
C115 Ru1 C113 C114 -27.44(14) . . . . ?
Cl1 Ru1 C113 C114 -40.2(4) . . . . ?
C112 C113 C114 C115 -1.0(3) . . . . ?
Ru1 C113 C114 C115 55.1(2) . . . . ?
C112 C113 C114 Ru1 -56.07(18) . . . . ?
C11 Ru1 C114 C115 -158.30(14) . . . . ?
N11 Ru1 C114 C115 121.01(14) . . . . ?
C113 Ru1 C114 C115 -133.8(2) . . . . ?
C112 Ru1 C114 C115 -103.65(16) . . . . ?
C116 Ru1 C114 C115 -29.19(14) . . . . ?
C117 Ru1 C114 C115 -65.73(15) . . . . ?
Cl1 Ru1 C114 C115 35.18(17) . . . . ?
C11 Ru1 C114 C113 -24.5(2) . . . . ?
N11 Ru1 C114 C113 -105.15(13) . . . . ?
C112 Ru1 C114 C113 30.19(13) . . . . ?
C116 Ru1 C114 C113 104.65(15) . . . . ?
C117 Ru1 C114 C113 68.11(14) . . . . ?
C115 Ru1 C114 C113 133.8(2) . . . . ?
Cl1 Ru1 C114 C113 169.02(10) . . . . ?
C113 C114 C115 C116 -2.1(3) . . . . ?
Ru1 C114 C115 C116 50.62(18) . . . . ?
C113 C114 C115 C19' 168.6(3) . . . . ?
Ru1 C114 C115 C19' -138.6(3) . . . . ?
C113 C114 C115 C119 -173.5(3) . . . . ?
Ru1 C114 C115 C119 -120.8(3) . . . . ?
C113 C114 C115 Ru1 -52.7(2) . . . . ?
C11 Ru1 C115 C114 87.6(4) . . . . ?
N11 Ru1 C115 C114 -64.97(15) . . . . ?
C113 Ru1 C115 C114 28.43(13) . . . . ?
C112 Ru1 C115 C114 65.68(14) . . . . ?
C116 Ru1 C115 C114 131.8(2) . . . . ?
C117 Ru1 C115 C114 102.95(15) . . . . ?
Cl1 Ru1 C115 C114 -154.38(13) . . . . ?
C11 Ru1 C115 C116 -44.3(4) . . . . ?
N11 Ru1 C115 C116 163.19(12) . . . . ?
C113 Ru1 C115 C116 -103.42(15) . . . . ?
C112 Ru1 C115 C116 -66.17(14) . . . . ?
C117 Ru1 C115 C116 -28.90(13) . . . . ?
C114 Ru1 C115 C116 -131.8(2) . . . . ?
Cl1 Ru1 C115 C116 73.78(13) . . . . ?
C11 Ru1 C115 C19' -142.0(4) . . . . ?
N11 Ru1 C115 C19' 65.4(4) . . . . ?
C113 Ru1 C115 C19' 158.8(4) . . . . ?
C112 Ru1 C115 C19' -163.9(4) . . . . ?
C116 Ru1 C115 C19' -97.8(4) . . . . ?
C117 Ru1 C115 C19' -126.7(4) . . . . ?
C114 Ru1 C115 C19' 130.4(4) . . . . ?
Cl1 Ru1 C115 C19' -24.0(4) . . . . ?
C11 Ru1 C115 C119 -175.7(4) . . . . ?
N11 Ru1 C115 C119 31.7(4) . . . . ?
C113 Ru1 C115 C119 125.1(4) . . . . ?
C112 Ru1 C115 C119 162.4(4) . . . . ?
C116 Ru1 C115 C119 -131.4(4) . . . . ?
C117 Ru1 C115 C119 -160.3(4) . . . . ?
C114 Ru1 C115 C119 96.7(4) . . . . ?
Cl1 Ru1 C115 C119 -57.7(4) . . . . ?
C114 C115 C116 C117 5.0(3) . . . . ?
C19' C115 C116 C117 -167.6(2) . . . . ?
C119 C115 C116 C117 173.1(4) . . . . ?
Ru1 C115 C116 C117 56.40(18) . . . . ?
C114 C115 C116 Ru1 -51.40(19) . . . . ?
C19' C115 C116 Ru1 136.0(2) . . . . ?
C119 C115 C116 Ru1 116.7(5) . . . . ?
C11 Ru1 C116 C117 34.79(17) . . . . ?
N11 Ru1 C116 C117 -159.58(12) . . . . ?
C113 Ru1 C116 C117 -67.13(13) . . . . ?
C112 Ru1 C116 C117 -29.51(12) . . . . ?
C114 Ru1 C116 C117 -103.76(14) . . . . ?
C115 Ru1 C116 C117 -132.48(19) . . . . ?
Cl1 Ru1 C116 C117 117.80(12) . . . . ?
C11 Ru1 C116 C115 167.27(12) . . . . ?
N11 Ru1 C116 C115 -27.09(19) . . . . ?
C113 Ru1 C116 C115 65.35(14) . . . . ?
C112 Ru1 C116 C115 102.97(14) . . . . ?
C117 Ru1 C116 C115 132.48(19) . . . . ?
C114 Ru1 C116 C115 28.72(13) . . . . ?
Cl1 Ru1 C116 C115 -109.72(13) . . . . ?
C115 C116 C117 C112 -4.7(3) . . . . ?
Ru1 C116 C117 C112 53.54(17) . . . . ?
C115 C116 C117 Ru1 -58.2(2) . . . . ?
C113 C112 C117 C116 1.3(3) . . . . ?
C118 C112 C117 C116 -177.8(2) . . . . ?
Ru1 C112 C117 C116 -54.04(17) . . . . ?
C113 C112 C117 Ru1 55.36(17) . . . . ?
C118 C112 C117 Ru1 -123.77(19) . . . . ?
C11 Ru1 C117 C116 -154.95(12) . . . . ?
N11 Ru1 C117 C116 97.9(4) . . . . ?
C113 Ru1 C117 C116 101.73(14) . . . . ?
C112 Ru1 C117 C116 132.04(18) . . . . ?
C114 Ru1 C117 C116 64.27(13) . . . . ?
C115 Ru1 C117 C116 28.61(12) . . . . ?
Cl1 Ru1 C117 C116 -66.98(12) . . . . ?
C11 Ru1 C117 C112 73.01(13) . . . . ?
N11 Ru1 C117 C112 -34.1(4) . . . . ?
C113 Ru1 C117 C112 -30.31(12) . . . . ?
C116 Ru1 C117 C112 -132.04(18) . . . . ?
C114 Ru1 C117 C112 -67.76(13) . . . . ?
C115 Ru1 C117 C112 -103.43(14) . . . . ?
Cl1 Ru1 C117 C112 160.98(11) . . . . ?
C114 C115 C119 C120 148.7(11) . . . . ?
C116 C115 C119 C120 -20.2(13) . . . . ?
C19' C115 C119 C120 -59.6(11) . . . . ?
Ru1 C115 C119 C120 72.5(12) . . . . ?
C114 C115 C119 C121 -94.9(6) . . . . ?
C116 C115 C119 C121 96.2(6) . . . . ?
C19' C115 C119 C121 56.8(7) . . . . ?
Ru1 C115 C119 C121 -171.1(5) . . . . ?
C114 C115 C19' C21' -6.9(6) . . . . ?
C116 C115 C19' C21' 164.3(4) . . . . ?
C119 C115 C19' C21' -44.1(6) . . . . ?
Ru1 C115 C19' C21' -115.0(4) . . . . ?
C114 C115 C19' C20' 116.1(7) . . . . ?
C116 C115 C19' C20' -72.7(7) . . . . ?
C119 C115 C19' C20' 78.9(8) . . . . ?
Ru1 C115 C19' C20' 8.0(8) . . . . ?
C28 C29 C210 C211 -0.5(3) . . . . ?
C29 C210 C211 O22 0.4(3) . . . . ?
C28 O22 C211 C210 -0.2(3) . . . . ?
C21 Ru2 C212 C213 -121.42(11) . . . . ?
N21 Ru2 C212 C213 -41.83(14) . . . . ?
C216 Ru2 C212 C213 101.70(12) . . . . ?
C217 Ru2 C212 C213 130.35(16) . . . . ?
C214 Ru2 C212 C213 29.66(11) . . . . ?
C215 Ru2 C212 C213 65.25(11) . . . . ?
Cl2 Ru2 C212 C213 155.74(9) . . . . ?
C21 Ru2 C212 C217 108.22(12) . . . . ?
N21 Ru2 C212 C217 -172.18(10) . . . . ?
C213 Ru2 C212 C217 -130.35(16) . . . . ?
C216 Ru2 C212 C217 -28.65(11) . . . . ?
C214 Ru2 C212 C217 -100.69(12) . . . . ?
C215 Ru2 C212 C217 -65.10(11) . . . . ?
Cl2 Ru2 C212 C217 25.39(15) . . . . ?
C21 Ru2 C212 C218 -6.39(18) . . . . ?
N21 Ru2 C212 C218 73.21(19) . . . . ?
C213 Ru2 C212 C218 115.0(2) . . . . ?
C216 Ru2 C212 C218 -143.26(19) . . . . ?
C217 Ru2 C212 C218 -114.6(2) . . . . ?
C214 Ru2 C212 C218 144.70(19) . . . . ?
C215 Ru2 C212 C218 -179.71(19) . . . . ?
Cl2 Ru2 C212 C218 -89.22(18) . . . . ?
C217 C212 C213 C214 -0.5(3) . . . . ?
C218 C212 C213 C214 180.00(17) . . . . ?
Ru2 C212 C213 C214 -56.16(16) . . . . ?
C217 C212 C213 Ru2 55.67(15) . . . . ?
C218 C212 C213 Ru2 -123.85(17) . . . . ?
C21 Ru2 C213 C212 62.90(12) . . . . ?
N21 Ru2 C213 C212 148.18(11) . . . . ?
C216 Ru2 C213 C212 -67.18(11) . . . . ?
C217 Ru2 C213 C212 -30.37(11) . . . . ?
C214 Ru2 C213 C212 -131.45(16) . . . . ?
C215 Ru2 C213 C212 -103.71(12) . . . . ?
Cl2 Ru2 C213 C212 -106.3(2) . . . . ?
C21 Ru2 C213 C214 -165.65(11) . . . . ?
N21 Ru2 C213 C214 -80.37(11) . . . . ?
C212 Ru2 C213 C214 131.45(16) . . . . ?
C216 Ru2 C213 C214 64.27(12) . . . . ?
C217 Ru2 C213 C214 101.08(12) . . . . ?
C215 Ru2 C213 C214 27.74(11) . . . . ?
Cl2 Ru2 C213 C214 25.2(3) . . . . ?
C212 C213 C214 C215 0.1(3) . . . . ?
Ru2 C213 C214 C215 -55.46(17) . . . . ?
C212 C213 C214 Ru2 55.56(16) . . . . ?
C21 Ru2 C214 C215 156.44(12) . . . . ?
N21 Ru2 C214 C215 -124.25(11) . . . . ?
C213 Ru2 C214 C215 133.43(17) . . . . ?
C212 Ru2 C214 C215 103.74(12) . . . . ?
C216 Ru2 C214 C215 29.24(11) . . . . ?
C217 Ru2 C214 C215 65.85(12) . . . . ?
Cl2 Ru2 C214 C215 -38.66(13) . . . . ?
C21 Ru2 C214 C213 23.00(18) . . . . ?
N21 Ru2 C214 C213 102.32(11) . . . . ?
C212 Ru2 C214 C213 -29.70(11) . . . . ?
C216 Ru2 C214 C213 -104.20(12) . . . . ?
C217 Ru2 C214 C213 -67.58(11) . . . . ?
C215 Ru2 C214 C213 -133.43(17) . . . . ?
Cl2 Ru2 C214 C213 -172.09(9) . . . . ?
C213 C214 C215 C216 2.5(3) . . . . ?
Ru2 C214 C215 C216 -50.65(15) . . . . ?
C213 C214 C215 C219 -176.50(18) . . . . ?
Ru2 C214 C215 C219 130.30(17) . . . . ?
C213 C214 C215 Ru2 53.20(16) . . . . ?
C21 Ru2 C215 C214 -94.4(3) . . . . ?
N21 Ru2 C215 C214 61.37(12) . . . . ?
C213 Ru2 C215 C214 -28.83(11) . . . . ?
C212 Ru2 C215 C214 -65.96(12) . . . . ?
C216 Ru2 C215 C214 -132.09(17) . . . . ?
C217 Ru2 C215 C214 -103.18(12) . . . . ?
Cl2 Ru2 C215 C214 150.53(11) . . . . ?
C21 Ru2 C215 C216 37.6(3) . . . . ?
N21 Ru2 C215 C216 -166.54(11) . . . . ?
C213 Ru2 C215 C216 103.26(12) . . . . ?
C212 Ru2 C215 C216 66.13(12) . . . . ?
C217 Ru2 C215 C216 28.91(11) . . . . ?
C214 Ru2 C215 C216 132.09(17) . . . . ?
Cl2 Ru2 C215 C216 -77.38(11) . . . . ?
C21 Ru2 C215 C219 153.6(3) . . . . ?
N21 Ru2 C215 C219 -50.6(2) . . . . ?
C213 Ru2 C215 C219 -140.8(2) . . . . ?
C212 Ru2 C215 C219 -177.9(2) . . . . ?
C216 Ru2 C215 C219 116.0(2) . . . . ?
C217 Ru2 C215 C219 144.9(2) . . . . ?
C214 Ru2 C215 C219 -111.9(2) . . . . ?
Cl2 Ru2 C215 C219 38.58(19) . . . . ?
C214 C215 C216 C217 -5.0(3) . . . . ?
C219 C215 C216 C217 174.00(18) . . . . ?
Ru2 C215 C216 C217 -56.14(17) . . . . ?
C214 C215 C216 Ru2 51.13(16) . . . . ?
C219 C215 C216 Ru2 -129.86(18) . . . . ?
C21 Ru2 C216 C217 -36.12(15) . . . . ?
N21 Ru2 C216 C217 154.93(12) . . . . ?
C213 Ru2 C216 C217 66.75(12) . . . . ?
C212 Ru2 C216 C217 29.19(11) . . . . ?
C214 Ru2 C216 C217 103.83(13) . . . . ?
C215 Ru2 C216 C217 132.47(17) . . . . ?
Cl2 Ru2 C216 C217 -122.38(11) . . . . ?
C21 Ru2 C216 C215 -168.59(11) . . . . ?
N21 Ru2 C216 C215 22.46(17) . . . . ?
C213 Ru2 C216 C215 -65.71(11) . . . . ?
C212 Ru2 C216 C215 -103.27(12) . . . . ?
C217 Ru2 C216 C215 -132.47(17) . . . . ?
C214 Ru2 C216 C215 -28.64(11) . . . . ?
Cl2 Ru2 C216 C215 105.16(10) . . . . ?
C215 C216 C217 C212 4.7(3) . . . . ?
Ru2 C216 C217 C212 -52.75(16) . . . . ?
C215 C216 C217 Ru2 57.49(17) . . . . ?
C213 C212 C217 C216 -1.9(3) . . . . ?
C218 C212 C217 C216 177.66(18) . . . . ?
Ru2 C212 C217 C216 53.19(16) . . . . ?
C213 C212 C217 Ru2 -55.05(15) . . . . ?
C218 C212 C217 Ru2 124.47(17) . . . . ?
C21 Ru2 C217 C216 153.32(12) . . . . ?
N21 Ru2 C217 C216 -108.0(3) . . . . ?
C213 Ru2 C217 C216 -102.33(12) . . . . ?
C212 Ru2 C217 C216 -132.62(17) . . . . ?
C214 Ru2 C217 C216 -64.65(12) . . . . ?
C215 Ru2 C217 C216 -28.83(11) . . . . ?
Cl2 Ru2 C217 C216 62.78(11) . . . . ?
C21 Ru2 C217 C212 -74.06(12) . . . . ?
N21 Ru2 C217 C212 24.7(3) . . . . ?
C213 Ru2 C217 C212 30.29(11) . . . . ?
C216 Ru2 C217 C212 132.62(17) . . . . ?
C214 Ru2 C217 C212 67.97(11) . . . . ?
C215 Ru2 C217 C212 103.79(12) . . . . ?
Cl2 Ru2 C217 C212 -164.60(10) . . . . ?
C214 C215 C219 C220 -157.38(19) . . . . ?
C216 C215 C219 C220 23.6(3) . . . . ?
Ru2 C215 C219 C220 -67.8(3) . . . . ?
C214 C215 C219 C221 79.9(2) . . . . ?
C216 C215 C219 C221 -99.1(2) . . . . ?
Ru2 C215 C219 C221 169.41(15) . . . . ?
C7S C2S C3S C4S 0.5(5) . . . . ?
C1S C2S C3S C4S -179.5(3) . . . . ?
C2S C3S C4S C5S -1.2(6) . . . . ?
C3S C4S C5S C6S 1.2(6) . . . . ?
C4S C5S C6S C7S -0.6(5) . . . . ?
C5S C6S C7S C2S -0.1(5) . . . . ?
C3S C2S C7S C6S 0.2(4) . . . . ?
C1S C2S C7S C6S -179.9(3) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        30.03
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.114
_refine_diff_density_min         -0.517
_refine_diff_density_rms         0.079


####################################################################### 
# 
# 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_pg1313ru_0t
_database_code_depnum_ccdc_archive 'CCDC 823520'
_audit_update_record             
;
2011-04-27 deposited with the CCDC.	2022-09-29 downloaded from the CCDC.
;
#TrackingRef 'PG1313Ru_0t.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C26 H29 Cl N4 O2 Ru'
_chemical_formula_sum            'C26 H29 Cl N4 O2 Ru'
_chemical_formula_weight         566.05

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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           Triclinic
_symmetry_space_group_name_H-M   P-1
_symmetry_space_group_name_Hall  -P1

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

_cell_length_a                   9.7727(4)
_cell_length_b                   10.5843(4)
_cell_length_c                   11.9045(5)
_cell_angle_alpha                92.4340(10)
_cell_angle_beta                 93.6720(10)
_cell_angle_gamma                95.5490(10)
_cell_volume                     1221.61(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    125(2)
_cell_measurement_reflns_used    4968
_cell_measurement_theta_min      2.52
_cell_measurement_theta_max      30.46

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.03
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.539
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             580
_exptl_absorpt_coefficient_mu    0.782
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.9189
_exptl_absorpt_correction_T_max  0.9769
_exptl_absorpt_process_details   'twinabs 2008/4'

_exptl_special_details           
;
non-merohedral twin, BASF 0.496(6)
;

_diffrn_ambient_temperature      125(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            15488
_diffrn_reflns_av_R_equivalents  0.0467
_diffrn_reflns_av_sigmaI/netI    0.0596
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.72
_diffrn_reflns_theta_max         30.52
_reflns_number_total             7604
_reflns_number_gt                6057
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 (Bruker 2007)'
_computing_cell_refinement       'SAINT (Bruker 2007)'
_computing_data_reduction        'SAINT (Bruker 2007)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_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)+(0.0524P)²+0.0951P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7378
_refine_ls_number_parameters     311
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0637
_refine_ls_R_factor_gt           0.0418
_refine_ls_wR_factor_ref         0.1038
_refine_ls_wR_factor_gt          0.0937
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_restrained_S_all      1.071
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru Ru 0.73264(2) 0.55528(2) 0.242570(19) 0.01561(7) Uani 1 1 d . . .
Cl Cl 0.52901(7) 0.41301(6) 0.17927(6) 0.02018(14) Uani 1 1 d . . .
O1 O 0.8680(2) 0.3505(2) 0.52775(18) 0.0259(5) Uani 1 1 d . . .
O2 O 1.0178(2) 0.2790(2) 0.2542(2) 0.0319(5) Uani 1 1 d . . .
N1 N 0.7886(2) 0.4129(2) 0.3533(2) 0.0200(5) Uani 1 1 d . . .
N2 N 0.6814(2) 0.6071(2) 0.4828(2) 0.0189(5) Uani 1 1 d . . .
N3 N 0.5054(2) 0.6541(2) 0.3861(2) 0.0189(5) Uani 1 1 d . . .
N4 N 0.4776(3) 0.6745(2) 0.4975(2) 0.0244(5) Uani 1 1 d . . .
C1 C 0.6293(3) 0.6111(2) 0.3742(2) 0.0159(5) Uani 1 1 d . . .
C2 C 0.5878(3) 0.6439(3) 0.5541(2) 0.0217(6) Uani 1 1 d . . .
H2A H 0.6007 0.6470 0.6340 0.026 Uiso 1 1 calc R . .
C3 C 0.4026(3) 0.6807(3) 0.2981(2) 0.0204(6) Uani 1 1 d . . .
H3A H 0.3097 0.6533 0.3221 0.024 Uiso 1 1 calc R . .
H3B H 0.4162 0.6299 0.2286 0.024 Uiso 1 1 calc R . .
C4 C 0.4090(3) 0.8186(3) 0.2717(3) 0.0224(6) Uani 1 1 d . . .
C5 C 0.4121(5) 0.9119(4) 0.3559(4) 0.0579(14) Uani 1 1 d . . .
H5A H 0.4103 0.8891 0.4322 0.069 Uiso 1 1 calc R . .
C6 C 0.4179(6) 1.0383(4) 0.3310(5) 0.083(2) Uani 1 1 d . . .
H6A H 0.4218 1.1016 0.3905 0.099 Uiso 1 1 calc R . .
C7 C 0.4180(4) 1.0736(4) 0.2218(5) 0.0567(13) Uani 1 1 d . . .
H7A H 0.4233 1.1609 0.2053 0.068 Uiso 1 1 calc R . .
C8 C 0.4104(5) 0.9821(4) 0.1368(4) 0.0521(11) Uani 1 1 d . . .
H8A H 0.4073 1.0053 0.0605 0.063 Uiso 1 1 calc R . .
C9 C 0.4071(4) 0.8540(3) 0.1620(3) 0.0386(8) Uani 1 1 d . . .
H9A H 0.4036 0.7907 0.1026 0.046 Uiso 1 1 calc R . .
C10 C 0.8148(3) 0.5625(3) 0.5145(2) 0.0214(6) Uani 1 1 d . . .
H10A H 0.8269 0.5606 0.5976 0.026 Uiso 1 1 calc R . .
H10B H 0.8893 0.6225 0.4891 0.026 Uiso 1 1 calc R . .
C11 C 0.8262(3) 0.4304(3) 0.4625(2) 0.0205(6) Uani 1 1 d . . .
C12 C 0.7810(3) 0.2781(3) 0.3106(3) 0.0245(6) Uani 1 1 d . . .
H12A H 0.7975 0.2246 0.3753 0.029 Uiso 1 1 calc R . .
H12B H 0.6864 0.2524 0.2776 0.029 Uiso 1 1 calc R . .
C13 C 0.8795(3) 0.2512(3) 0.2249(3) 0.0261(6) Uani 1 1 d . . .
C14 C 0.8617(4) 0.1982(3) 0.1193(3) 0.0362(8) Uani 1 1 d . . .
H14A H 0.7763 0.1696 0.0794 0.043 Uiso 1 1 calc R . .
C15 C 0.9952(5) 0.1934(4) 0.0791(4) 0.0486(11) Uani 1 1 d . . .
H15A H 1.0162 0.1615 0.0071 0.058 Uiso 1 1 calc R . .
C16 C 1.0850(4) 0.2424(4) 0.1621(4) 0.0447(10) Uani 1 1 d . . .
H16A H 1.1822 0.2509 0.1583 0.054 Uiso 1 1 calc R . .
C17 C 0.8015(3) 0.5519(3) 0.0628(2) 0.0211(6) Uani 1 1 d . . .
C18 C 0.7595(3) 0.4568(3) -0.0324(2) 0.0252(6) Uani 1 1 d . . .
H18A H 0.7647 0.4988 -0.1040 0.038 Uiso 1 1 calc R . .
H18B H 0.6648 0.4200 -0.0250 0.038 Uiso 1 1 calc R . .
H18C H 0.8214 0.3893 -0.0306 0.038 Uiso 1 1 calc R . .
C19 C 0.9158(3) 0.5421(3) 0.1377(2) 0.0194(5) Uani 1 1 d . . .
H19A H 0.9614 0.4615 0.1361 0.023 Uiso 1 1 calc R . .
C20 C 0.9473(3) 0.6309(3) 0.2328(2) 0.0195(5) Uani 1 1 d . . .
H20A H 1.0175 0.6128 0.2933 0.023 Uiso 1 1 calc R . .
C21 C 0.8701(3) 0.7362(3) 0.2480(2) 0.0195(5) Uani 1 1 d . . .
C22 C 0.9192(3) 0.8401(3) 0.3373(3) 0.0244(6) Uani 1 1 d . . .
H22A H 0.9658 0.7999 0.4020 0.029 Uiso 1 1 calc R . .
C23 C 1.0274(4) 0.9310(3) 0.2859(3) 0.0360(8) Uani 1 1 d . . .
H23A H 1.1028 0.8837 0.2619 0.054 Uiso 1 1 calc R . .
H23B H 1.0639 0.9980 0.3423 0.054 Uiso 1 1 calc R . .
H23C H 0.9848 0.9693 0.2206 0.054 Uiso 1 1 calc R . .
C24 C 0.8067(4) 0.9135(3) 0.3828(3) 0.0345(8) Uani 1 1 d . . .
H24A H 0.7364 0.8542 0.4128 0.052 Uiso 1 1 calc R . .
H24B H 0.7644 0.9592 0.3219 0.052 Uiso 1 1 calc R . .
H24C H 0.8469 0.9745 0.4430 0.052 Uiso 1 1 calc R . .
C25 C 0.7525(3) 0.7445(3) 0.1717(2) 0.0196(5) Uani 1 1 d . . .
H25A H 0.6849 0.8060 0.1906 0.024 Uiso 1 1 calc R . .
C26 C 0.7168(3) 0.6530(3) 0.0836(2) 0.0206(6) Uani 1 1 d . . .
H26A H 0.6249 0.6512 0.0413 0.025 Uiso 1 1 calc R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru C1 2.016(3) . ?
Ru N1 2.131(2) . ?
Ru C20 2.183(3) . ?
Ru C26 2.198(3) . ?
Ru C25 2.203(3) . ?
Ru C21 2.226(3) . ?
Ru C19 2.259(3) . ?
Ru C17 2.284(3) . ?
Ru Cl 2.4347(7) . ?
O1 C11 1.252(3) . ?
O2 C16 1.374(4) . ?
O2 C13 1.374(4) . ?
N1 C11 1.328(4) . ?
N1 C12 1.488(4) . ?
N2 C2 1.360(4) . ?
N2 C1 1.362(3) . ?
N2 C10 1.462(4) . ?
N3 C1 1.348(3) . ?
N3 N4 1.383(3) . ?
N3 C3 1.460(3) . ?
N4 C2 1.308(4) . ?
C2 H2A 0.9500 . ?
C3 C4 1.503(4) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C9 1.373(5) . ?
C4 C5 1.374(5) . ?
C5 C6 1.379(6) . ?
C5 H5A 0.9500 . ?
C6 C7 1.369(7) . ?
C6 H6A 0.9500 . ?
C7 C8 1.364(7) . ?
C7 H7A 0.9500 . ?
C8 C9 1.399(5) . ?
C8 H8A 0.9500 . ?
C9 H9A 0.9500 . ?
C10 C11 1.522(4) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C12 C13 1.483(4) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.348(5) . ?
C14 C15 1.424(6) . ?
C14 H14A 0.9500 . ?
C15 C16 1.331(6) . ?
C15 H15A 0.9500 . ?
C16 H16A 0.9500 . ?
C17 C19 1.399(4) . ?
C17 C26 1.438(4) . ?
C17 C18 1.493(4) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.438(4) . ?
C19 H19A 1.0000 . ?
C20 C21 1.416(4) . ?
C20 H20A 1.0000 . ?
C21 C25 1.431(4) . ?
C21 C22 1.518(4) . ?
C22 C24 1.521(5) . ?
C22 C23 1.535(4) . ?
C22 H22A 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.400(4) . ?
C25 H25A 1.0000 . ?
C26 H26A 1.0000 . ?

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
C1 Ru N1 82.74(10) . . ?
C1 Ru C20 119.04(11) . . ?
N1 Ru C20 92.15(10) . . ?
C1 Ru C26 119.99(11) . . ?
N1 Ru C26 157.04(10) . . ?
C20 Ru C26 79.84(10) . . ?
C1 Ru C25 94.34(10) . . ?
N1 Ru C25 155.02(10) . . ?
C20 Ru C25 67.51(10) . . ?
C26 Ru C25 37.10(11) . . ?
C1 Ru C21 93.50(10) . . ?
N1 Ru C21 117.48(10) . . ?
C20 Ru C21 37.44(10) . . ?
C26 Ru C21 67.68(10) . . ?
C25 Ru C21 37.70(10) . . ?
C1 Ru C19 156.68(11) . . ?
N1 Ru C19 94.39(10) . . ?
C20 Ru C19 37.73(10) . . ?
C26 Ru C19 66.16(10) . . ?
C25 Ru C19 78.52(10) . . ?
C21 Ru C19 67.21(10) . . ?
C1 Ru C17 157.25(11) . . ?
N1 Ru C17 119.76(10) . . ?
C20 Ru C17 66.97(10) . . ?
C26 Ru C17 37.36(10) . . ?
C25 Ru C17 66.85(10) . . ?
C21 Ru C17 79.43(10) . . ?
C19 Ru C17 35.87(10) . . ?
C1 Ru Cl 87.95(8) . . ?
N1 Ru Cl 87.71(7) . . ?
C20 Ru Cl 152.79(8) . . ?
C26 Ru Cl 89.82(8) . . ?
C25 Ru Cl 117.06(8) . . ?
C21 Ru Cl 154.76(7) . . ?
C19 Ru Cl 115.14(8) . . ?
C17 Ru Cl 89.58(8) . . ?
C16 O2 C13 106.1(3) . . ?
C11 N1 C12 113.9(2) . . ?
C11 N1 Ru 126.3(2) . . ?
C12 N1 Ru 119.77(18) . . ?
C2 N2 C1 109.6(2) . . ?
C2 N2 C10 126.6(2) . . ?
C1 N2 C10 123.8(2) . . ?
C1 N3 N4 113.0(2) . . ?
C1 N3 C3 128.3(2) . . ?
N4 N3 C3 118.6(2) . . ?
C2 N4 N3 103.8(2) . . ?
N3 C1 N2 102.9(2) . . ?
N3 C1 Ru 135.1(2) . . ?
N2 C1 Ru 122.0(2) . . ?
N4 C2 N2 110.6(3) . . ?
N4 C2 H2A 124.7 . . ?
N2 C2 H2A 124.7 . . ?
N3 C3 C4 113.3(2) . . ?
N3 C3 H3A 108.9 . . ?
C4 C3 H3A 108.9 . . ?
N3 C3 H3B 108.9 . . ?
C4 C3 H3B 108.9 . . ?
H3A C3 H3B 107.7 . . ?
C9 C4 C5 118.4(3) . . ?
C9 C4 C3 120.5(3) . . ?
C5 C4 C3 121.1(3) . . ?
C4 C5 C6 120.7(4) . . ?
C4 C5 H5A 119.6 . . ?
C6 C5 H5A 119.6 . . ?
C7 C6 C5 120.8(4) . . ?
C7 C6 H6A 119.6 . . ?
C5 C6 H6A 119.6 . . ?
C8 C7 C6 119.3(4) . . ?
C8 C7 H7A 120.4 . . ?
C6 C7 H7A 120.4 . . ?
C7 C8 C9 119.9(4) . . ?
C7 C8 H8A 120.0 . . ?
C9 C8 H8A 120.0 . . ?
C4 C9 C8 120.8(4) . . ?
C4 C9 H9A 119.6 . . ?
C8 C9 H9A 119.6 . . ?
N2 C10 C11 111.4(2) . . ?
N2 C10 H10A 109.4 . . ?
C11 C10 H10A 109.4 . . ?
N2 C10 H10B 109.4 . . ?
C11 C10 H10B 109.4 . . ?
H10A C10 H10B 108.0 . . ?
O1 C11 N1 127.6(3) . . ?
O1 C11 C10 116.4(3) . . ?
N1 C11 C10 116.0(2) . . ?
C13 C12 N1 115.3(2) . . ?
C13 C12 H12A 108.4 . . ?
N1 C12 H12A 108.4 . . ?
C13 C12 H12B 108.4 . . ?
N1 C12 H12B 108.4 . . ?
H12A C12 H12B 107.5 . . ?
C14 C13 O2 109.7(3) . . ?
C14 C13 C12 132.4(3) . . ?
O2 C13 C12 117.9(3) . . ?
C13 C14 C15 106.9(4) . . ?
C13 C14 H14A 126.5 . . ?
C15 C14 H14A 126.5 . . ?
C16 C15 C14 106.6(3) . . ?
C16 C15 H15A 126.7 . . ?
C14 C15 H15A 126.7 . . ?
C15 C16 O2 110.7(4) . . ?
C15 C16 H16A 124.6 . . ?
O2 C16 H16A 124.6 . . ?
C19 C17 C26 118.1(3) . . ?
C19 C17 C18 122.6(3) . . ?
C26 C17 C18 119.2(3) . . ?
C19 C17 Ru 71.08(16) . . ?
C26 C17 Ru 68.08(15) . . ?
C18 C17 Ru 129.1(2) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 C20 120.8(3) . . ?
C17 C19 Ru 73.05(16) . . ?
C20 C19 Ru 68.30(15) . . ?
C17 C19 H19A 118.8 . . ?
C20 C19 H19A 118.8 . . ?
Ru C19 H19A 118.8 . . ?
C21 C20 C19 120.9(3) . . ?
C21 C20 Ru 72.93(16) . . ?
C19 C20 Ru 73.97(16) . . ?
C21 C20 H20A 119.4 . . ?
C19 C20 H20A 119.4 . . ?
Ru C20 H20A 119.4 . . ?
C20 C21 C25 117.8(3) . . ?
C20 C21 C22 119.9(3) . . ?
C25 C21 C22 122.2(3) . . ?
C20 C21 Ru 69.63(16) . . ?
C25 C21 Ru 70.25(16) . . ?
C22 C21 Ru 135.3(2) . . ?
C21 C22 C24 115.2(3) . . ?
C21 C22 C23 107.2(3) . . ?
C24 C22 C23 110.2(3) . . ?
C21 C22 H22A 108.0 . . ?
C24 C22 H22A 108.0 . . ?
C23 C22 H22A 108.0 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 C21 121.0(3) . . ?
C26 C25 Ru 71.27(16) . . ?
C21 C25 Ru 72.05(15) . . ?
C26 C25 H25A 118.9 . . ?
C21 C25 H25A 118.9 . . ?
Ru C25 H25A 118.9 . . ?
C25 C26 C17 121.2(3) . . ?
C25 C26 Ru 71.63(16) . . ?
C17 C26 Ru 74.56(16) . . ?
C25 C26 H26A 119.2 . . ?
C17 C26 H26A 119.2 . . ?
Ru C26 H26A 119.2 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 Ru N1 C11 -42.7(2) . . . . ?
C20 Ru N1 C11 76.3(2) . . . . ?
C26 Ru N1 C11 145.0(3) . . . . ?
C25 Ru N1 C11 42.0(4) . . . . ?
C21 Ru N1 C11 47.5(3) . . . . ?
C19 Ru N1 C11 114.1(2) . . . . ?
C17 Ru N1 C11 140.9(2) . . . . ?
Cl Ru N1 C11 -130.9(2) . . . . ?
C1 Ru N1 C12 134.4(2) . . . . ?
C20 Ru N1 C12 -106.6(2) . . . . ?
C26 Ru N1 C12 -37.9(4) . . . . ?
C25 Ru N1 C12 -140.9(2) . . . . ?
C21 Ru N1 C12 -135.4(2) . . . . ?
C19 Ru N1 C12 -68.9(2) . . . . ?
C17 Ru N1 C12 -42.0(2) . . . . ?
Cl Ru N1 C12 46.2(2) . . . . ?
C1 N3 N4 C2 0.4(3) . . . . ?
C3 N3 N4 C2 -179.3(2) . . . . ?
N4 N3 C1 N2 -1.1(3) . . . . ?
C3 N3 C1 N2 178.6(2) . . . . ?
N4 N3 C1 Ru 176.9(2) . . . . ?
C3 N3 C1 Ru -3.3(4) . . . . ?
C2 N2 C1 N3 1.4(3) . . . . ?
C10 N2 C1 N3 178.3(2) . . . . ?
C2 N2 C1 Ru -176.98(18) . . . . ?
C10 N2 C1 Ru -0.1(4) . . . . ?
N1 Ru C1 N3 -139.8(3) . . . . ?
C20 Ru C1 N3 131.7(3) . . . . ?
C26 Ru C1 N3 36.7(3) . . . . ?
C25 Ru C1 N3 65.1(3) . . . . ?
C21 Ru C1 N3 102.9(3) . . . . ?
C19 Ru C1 N3 135.9(3) . . . . ?
C17 Ru C1 N3 32.1(4) . . . . ?
Cl Ru C1 N3 -51.9(3) . . . . ?
N1 Ru C1 N2 38.0(2) . . . . ?
C20 Ru C1 N2 -50.5(2) . . . . ?
C26 Ru C1 N2 -145.5(2) . . . . ?
C25 Ru C1 N2 -117.1(2) . . . . ?
C21 Ru C1 N2 -79.3(2) . . . . ?
C19 Ru C1 N2 -46.3(4) . . . . ?
C17 Ru C1 N2 -150.1(2) . . . . ?
Cl Ru C1 N2 125.9(2) . . . . ?
N3 N4 C2 N2 0.5(3) . . . . ?
C1 N2 C2 N4 -1.3(3) . . . . ?
C10 N2 C2 N4 -178.0(3) . . . . ?
C1 N3 C3 C4 -97.4(3) . . . . ?
N4 N3 C3 C4 82.3(3) . . . . ?
N3 C3 C4 C9 132.6(3) . . . . ?
N3 C3 C4 C5 -49.7(4) . . . . ?
C9 C4 C5 C6 -2.1(7) . . . . ?
C3 C4 C5 C6 -179.9(4) . . . . ?
C4 C5 C6 C7 1.2(8) . . . . ?
C5 C6 C7 C8 0.9(8) . . . . ?
C6 C7 C8 C9 -2.1(7) . . . . ?
C5 C4 C9 C8 0.9(6) . . . . ?
C3 C4 C9 C8 178.8(3) . . . . ?
C7 C8 C9 C4 1.2(6) . . . . ?
C2 N2 C10 C11 122.5(3) . . . . ?
C1 N2 C10 C11 -53.8(3) . . . . ?
C12 N1 C11 O1 7.8(4) . . . . ?
Ru N1 C11 O1 -175.0(2) . . . . ?
C12 N1 C11 C10 -171.1(2) . . . . ?
Ru N1 C11 C10 6.1(3) . . . . ?
N2 C10 C11 O1 -131.3(3) . . . . ?
N2 C10 C11 N1 47.7(3) . . . . ?
C11 N1 C12 C13 -116.3(3) . . . . ?
Ru N1 C12 C13 66.2(3) . . . . ?
C16 O2 C13 C14 0.6(3) . . . . ?
C16 O2 C13 C12 178.5(3) . . . . ?
N1 C12 C13 C14 -123.9(4) . . . . ?
N1 C12 C13 O2 58.8(3) . . . . ?
O2 C13 C14 C15 -0.6(4) . . . . ?
C12 C13 C14 C15 -178.1(3) . . . . ?
C13 C14 C15 C16 0.4(4) . . . . ?
C14 C15 C16 O2 0.0(4) . . . . ?
C13 O2 C16 C15 -0.3(4) . . . . ?
C1 Ru C17 C19 139.0(3) . . . . ?
N1 Ru C17 C19 -50.2(2) . . . . ?
C20 Ru C17 C19 28.49(17) . . . . ?
C26 Ru C17 C19 132.4(3) . . . . ?
C25 Ru C17 C19 102.82(19) . . . . ?
C21 Ru C17 C19 65.53(17) . . . . ?
Cl Ru C17 C19 -137.32(16) . . . . ?
C1 Ru C17 C26 6.6(3) . . . . ?
N1 Ru C17 C26 177.37(15) . . . . ?
C20 Ru C17 C26 -103.94(18) . . . . ?
C25 Ru C17 C26 -29.62(16) . . . . ?
C21 Ru C17 C26 -66.91(17) . . . . ?
C19 Ru C17 C26 -132.4(3) . . . . ?
Cl Ru C17 C26 90.25(16) . . . . ?
C1 Ru C17 C18 -104.0(3) . . . . ?
N1 Ru C17 C18 66.8(3) . . . . ?
C20 Ru C17 C18 145.5(3) . . . . ?
C26 Ru C17 C18 -110.5(3) . . . . ?
C25 Ru C17 C18 -140.2(3) . . . . ?
C21 Ru C17 C18 -177.4(3) . . . . ?
C19 Ru C17 C18 117.0(3) . . . . ?
Cl Ru C17 C18 -20.3(3) . . . . ?
C26 C17 C19 C20 0.0(4) . . . . ?
C18 C17 C19 C20 -175.7(3) . . . . ?
Ru C17 C19 C20 -50.9(2) . . . . ?
C26 C17 C19 Ru 50.9(2) . . . . ?
C18 C17 C19 Ru -124.8(3) . . . . ?
C1 Ru C19 C17 -140.1(3) . . . . ?
N1 Ru C19 C17 138.02(17) . . . . ?
C20 Ru C19 C17 -134.1(2) . . . . ?
C26 Ru C19 C17 -29.32(17) . . . . ?
C25 Ru C19 C17 -66.19(17) . . . . ?
C21 Ru C19 C17 -103.96(18) . . . . ?
Cl Ru C19 C17 48.49(18) . . . . ?
C1 Ru C19 C20 -6.0(3) . . . . ?
N1 Ru C19 C20 -87.83(16) . . . . ?
C26 Ru C19 C20 104.83(18) . . . . ?
C25 Ru C19 C20 67.96(17) . . . . ?
C21 Ru C19 C20 30.19(16) . . . . ?
C17 Ru C19 C20 134.1(2) . . . . ?
Cl Ru C19 C20 -177.36(13) . . . . ?
C17 C19 C20 C21 -5.1(4) . . . . ?
Ru C19 C20 C21 -58.1(2) . . . . ?
C17 C19 C20 Ru 53.0(2) . . . . ?
C1 Ru C20 C21 -52.39(19) . . . . ?
N1 Ru C20 C21 -135.28(17) . . . . ?
C26 Ru C20 C21 66.38(17) . . . . ?
C25 Ru C20 C21 29.78(16) . . . . ?
C19 Ru C20 C21 130.3(2) . . . . ?
C17 Ru C20 C21 103.13(18) . . . . ?
Cl Ru C20 C21 135.55(16) . . . . ?
C1 Ru C20 C19 177.29(15) . . . . ?
N1 Ru C20 C19 94.40(16) . . . . ?
C26 Ru C20 C19 -63.94(17) . . . . ?
C25 Ru C20 C19 -100.54(17) . . . . ?
C21 Ru C20 C19 -130.3(2) . . . . ?
C17 Ru C20 C19 -27.18(16) . . . . ?
Cl Ru C20 C19 5.2(3) . . . . ?
C19 C20 C21 C25 5.7(4) . . . . ?
Ru C20 C21 C25 -52.9(2) . . . . ?
C19 C20 C21 C22 -169.9(3) . . . . ?
Ru C20 C21 C22 131.4(3) . . . . ?
C19 C20 C21 Ru 58.6(2) . . . . ?
C1 Ru C21 C20 136.06(17) . . . . ?
N1 Ru C21 C20 52.42(19) . . . . ?
C26 Ru C21 C20 -102.86(18) . . . . ?
C25 Ru C21 C20 -131.4(2) . . . . ?
C19 Ru C21 C20 -30.40(16) . . . . ?
C17 Ru C21 C20 -65.74(17) . . . . ?
Cl Ru C21 C20 -131.33(18) . . . . ?
C1 Ru C21 C25 -92.56(17) . . . . ?
N1 Ru C21 C25 -176.20(15) . . . . ?
C20 Ru C21 C25 131.4(2) . . . . ?
C26 Ru C21 C25 28.52(16) . . . . ?
C19 Ru C21 C25 100.98(18) . . . . ?
C17 Ru C21 C25 65.63(17) . . . . ?
Cl Ru C21 C25 0.1(3) . . . . ?
C1 Ru C21 C22 23.7(3) . . . . ?
N1 Ru C21 C22 -59.9(3) . . . . ?
C20 Ru C21 C22 -112.4(3) . . . . ?
C26 Ru C21 C22 144.8(3) . . . . ?
C25 Ru C21 C22 116.3(3) . . . . ?
C19 Ru C21 C22 -142.8(3) . . . . ?
C17 Ru C21 C22 -178.1(3) . . . . ?
Cl Ru C21 C22 116.3(3) . . . . ?
C20 C21 C22 C24 -154.0(3) . . . . ?
C25 C21 C22 C24 30.5(4) . . . . ?
Ru C21 C22 C24 -63.4(4) . . . . ?
C20 C21 C22 C23 83.0(3) . . . . ?
C25 C21 C22 C23 -92.4(3) . . . . ?
Ru C21 C22 C23 173.6(2) . . . . ?
C20 C21 C25 C26 -1.3(4) . . . . ?
C22 C21 C25 C26 174.2(3) . . . . ?
Ru C21 C25 C26 -54.0(2) . . . . ?
C20 C21 C25 Ru 52.6(2) . . . . ?
C22 C21 C25 Ru -131.8(3) . . . . ?
C1 Ru C25 C26 -136.95(17) . . . . ?
N1 Ru C25 C26 140.9(2) . . . . ?
C20 Ru C25 C26 103.34(19) . . . . ?
C21 Ru C25 C26 132.9(2) . . . . ?
C19 Ru C25 C26 65.48(17) . . . . ?
C17 Ru C25 C26 29.81(16) . . . . ?
Cl Ru C25 C26 -47.04(18) . . . . ?
C1 Ru C25 C21 90.12(17) . . . . ?
N1 Ru C25 C21 8.0(3) . . . . ?
C20 Ru C25 C21 -29.59(16) . . . . ?
C26 Ru C25 C21 -132.9(2) . . . . ?
C19 Ru C25 C21 -67.45(17) . . . . ?
C17 Ru C25 C21 -103.12(18) . . . . ?
Cl Ru C25 C21 -179.98(14) . . . . ?
C21 C25 C26 C17 -3.7(4) . . . . ?
Ru C25 C26 C17 -58.1(2) . . . . ?
C21 C25 C26 Ru 54.3(2) . . . . ?
C19 C17 C26 C25 4.4(4) . . . . ?
C18 C17 C26 C25 -179.7(3) . . . . ?
Ru C17 C26 C25 56.7(2) . . . . ?
C19 C17 C26 Ru -52.3(2) . . . . ?
C18 C17 C26 Ru 123.6(3) . . . . ?
C1 Ru C26 C25 51.8(2) . . . . ?
N1 Ru C26 C25 -137.0(2) . . . . ?
C20 Ru C26 C25 -65.97(17) . . . . ?
C21 Ru C26 C25 -28.95(16) . . . . ?
C19 Ru C26 C25 -102.91(18) . . . . ?
C17 Ru C26 C25 -131.1(2) . . . . ?
Cl Ru C26 C25 139.33(16) . . . . ?
C1 Ru C26 C17 -177.07(16) . . . . ?
N1 Ru C26 C17 -5.9(3) . . . . ?
C20 Ru C26 C17 65.15(17) . . . . ?
C25 Ru C26 C17 131.1(2) . . . . ?
C21 Ru C26 C17 102.18(18) . . . . ?
C19 Ru C26 C17 28.22(16) . . . . ?
Cl Ru C26 C17 -89.55(16) . . . . ?

_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        30.52
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         1.525
_refine_diff_density_min         -0.535
_refine_diff_density_rms         0.125


####################################################################### 
# 
# 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_pg1245ru
_database_code_depnum_ccdc_archive 'CCDC 807541'
_audit_update_record             
;
2011-01-10 deposited with the CCDC.	2022-09-29 downloaded from the CCDC.
;
#TrackingRef 'PG1245Ru.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C21 H27 Cl N4 O2 Ru'
_chemical_formula_sum            'C21 H27 Cl N4 O2 Ru'
_chemical_formula_weight         503.99

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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)/n
_symmetry_space_group_name_Hall  -P2yn

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

_cell_length_a                   12.9792(4)
_cell_length_b                   13.3677(5)
_cell_length_c                   13.2454(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 113.9526(5)
_cell_angle_gamma                90.00
_cell_volume                     2100.19(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    125(2)
_cell_measurement_reflns_used    9882
_cell_measurement_theta_min      2.27
_cell_measurement_theta_max      30.53

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.594
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1032
_exptl_absorpt_coefficient_mu    0.899
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.7619
_exptl_absorpt_correction_T_max  0.8770
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      125(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            33479
_diffrn_reflns_av_R_equivalents  0.0248
_diffrn_reflns_av_sigmaI/netI    0.0178
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.85
_diffrn_reflns_theta_max         30.53
_reflns_number_total             6410
_reflns_number_gt                5869
_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)+(0.0279P)²+1.1014P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6410
_refine_ls_number_parameters     266
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0240
_refine_ls_R_factor_gt           0.0210
_refine_ls_wR_factor_ref         0.0550
_refine_ls_wR_factor_gt          0.0530
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru Ru 0.169656(8) 0.238223(7) 0.796744(8) 0.01188(3) Uani 1 1 d . . .
Cl Cl 0.32545(3) 0.33030(2) 0.92938(3) 0.01878(6) Uani 1 1 d . . .
O1 O -0.02759(9) 0.49881(8) 0.64688(8) 0.0214(2) Uani 1 1 d . . .
O2 O -0.05797(10) 0.34896(8) 0.91429(9) 0.0266(2) Uani 1 1 d . . .
N1 N 0.07720(9) 0.37413(8) 0.76346(9) 0.01451(19) Uani 1 1 d . . .
N2 N 0.15096(9) 0.33980(8) 0.58998(9) 0.01416(19) Uani 1 1 d . . .
N3 N 0.31891(9) 0.28782(9) 0.66918(10) 0.0170(2) Uani 1 1 d . . .
N4 N 0.31220(10) 0.33198(9) 0.57241(10) 0.0200(2) Uani 1 1 d . . .
C1 C 0.22193(10) 0.29147(9) 0.68277(10) 0.0143(2) Uani 1 1 d . . .
C2 C 0.20813(12) 0.36320(10) 0.52621(11) 0.0178(2) Uani 1 1 d . . .
H2A H 0.1764 0.3975 0.4576 0.021 Uiso 1 1 calc R . .
C3 C 0.42678(12) 0.24359(11) 0.74277(14) 0.0234(3) Uani 1 1 d . . .
H3A H 0.4476 0.1897 0.7032 0.028 Uiso 1 1 calc R . .
H3B H 0.4189 0.2135 0.8076 0.028 Uiso 1 1 calc R . .
C4 C 0.51903(13) 0.32176(15) 0.78145(14) 0.0334(4) Uani 1 1 d . . .
H4B H 0.5900 0.2907 0.8308 0.050 Uiso 1 1 calc R . .
H4C H 0.4988 0.3748 0.8211 0.050 Uiso 1 1 calc R . .
H4D H 0.5281 0.3504 0.7174 0.050 Uiso 1 1 calc R . .
C5 C 0.03383(10) 0.36435(10) 0.56704(10) 0.0152(2) Uani 1 1 d . . .
H5A H -0.0115 0.3022 0.5508 0.018 Uiso 1 1 calc R . .
H5B H 0.0027 0.4081 0.5011 0.018 Uiso 1 1 calc R . .
C6 C 0.02557(10) 0.41748(9) 0.66549(10) 0.0146(2) Uani 1 1 d . . .
C7 C 0.07513(11) 0.43393(10) 0.85645(11) 0.0174(2) Uani 1 1 d . . .
H7A H 0.0942 0.5040 0.8470 0.021 Uiso 1 1 calc R . .
H7B H 0.1347 0.4086 0.9258 0.021 Uiso 1 1 calc R . .
C8 C -0.03397(12) 0.43331(10) 0.86861(11) 0.0181(2) Uani 1 1 d . . .
C9 C -0.11623(12) 0.50185(12) 0.84972(12) 0.0231(3) Uani 1 1 d . . .
H9A H -0.1201 0.5664 0.8184 0.028 Uiso 1 1 calc R . .
C10 C -0.19658(13) 0.45854(13) 0.88591(13) 0.0277(3) Uani 1 1 d . . .
H10A H -0.2637 0.4887 0.8837 0.033 Uiso 1 1 calc R . .
C11 C -0.15782(14) 0.36696(13) 0.92342(13) 0.0300(3) Uani 1 1 d . . .
H11A H -0.1945 0.3208 0.9524 0.036 Uiso 1 1 calc R . .
C12 C 0.12312(11) 0.10120(9) 0.69878(11) 0.0165(2) Uani 1 1 d . . .
C13 C 0.02726(11) 0.13795(10) 0.71293(11) 0.0170(2) Uani 1 1 d . . .
H13A H -0.0392 0.1627 0.6472 0.020 Uiso 1 1 calc R . .
C14 C 0.03107(11) 0.15334(10) 0.82127(11) 0.0170(2) Uani 1 1 d . . .
H14A H -0.0312 0.1924 0.8288 0.020 Uiso 1 1 calc R . .
C15 C 0.12929(11) 0.13527(9) 0.91669(11) 0.0162(2) Uani 1 1 d . . .
C16 C 0.22668(11) 0.10276(9) 0.90053(11) 0.0163(2) Uani 1 1 d . . .
H16A H 0.3015 0.1045 0.9650 0.020 Uiso 1 1 calc R . .
C17 C 0.22382(11) 0.08173(9) 0.79508(11) 0.0165(2) Uani 1 1 d . . .
H17A H 0.2958 0.0677 0.7870 0.020 Uiso 1 1 calc R . .
C18 C 0.12079(13) 0.08551(10) 0.58544(11) 0.0214(3) Uani 1 1 d . . .
H18A H 0.1035 0.0153 0.5639 0.032 Uiso 1 1 calc R . .
H18B H 0.1945 0.1026 0.5862 0.032 Uiso 1 1 calc R . .
H18C H 0.0628 0.1284 0.5323 0.032 Uiso 1 1 calc R . .
C19 C 0.13059(12) 0.14356(10) 1.03148(11) 0.0197(3) Uani 1 1 d . . .
H19A H 0.0547 0.1676 1.0235 0.024 Uiso 1 1 calc R . .
C20 C 0.21904(16) 0.21609(13) 1.10816(13) 0.0304(3) Uani 1 1 d . . .
H20A H 0.2041 0.2835 1.0764 0.046 Uiso 1 1 calc R . .
H20B H 0.2943 0.1945 1.1166 0.046 Uiso 1 1 calc R . .
H20C H 0.2153 0.2167 1.1806 0.046 Uiso 1 1 calc R . .
C21 C 0.14923(14) 0.03894(11) 1.08369(12) 0.0246(3) Uani 1 1 d . . .
H21A H 0.1002 -0.0092 1.0298 0.037 Uiso 1 1 calc R . .
H21B H 0.1313 0.0399 1.1487 0.037 Uiso 1 1 calc R . .
H21C H 0.2282 0.0193 1.1059 0.037 Uiso 1 1 calc R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru C1 2.0193(13) . ?
Ru N1 2.1226(11) . ?
Ru C12 2.1833(13) . ?
Ru C13 2.1861(13) . ?
Ru C17 2.2098(13) . ?
Ru C16 2.2114(12) . ?
Ru C14 2.2590(13) . ?
Ru C15 2.3170(13) . ?
Ru Cl 2.4095(3) . ?
O1 C6 1.2572(15) . ?
O2 C11 1.371(2) . ?
O2 C8 1.3739(17) . ?
N1 C6 1.3277(16) . ?
N1 C7 1.4777(16) . ?
N2 C1 1.3628(16) . ?
N2 C2 1.3677(17) . ?
N2 C5 1.4615(16) . ?
N3 C1 1.3427(16) . ?
N3 N4 1.3815(16) . ?
N3 C3 1.4669(18) . ?
N4 C2 1.3046(18) . ?
C2 H2A 0.9500 . ?
C3 C4 1.513(2) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C4 H4D 0.9800 . ?
C5 C6 1.5264(18) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C7 C8 1.4887(19) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.351(2) . ?
C9 C10 1.435(2) . ?
C9 H9A 0.9500 . ?
C10 C11 1.340(2) . ?
C10 H10A 0.9500 . ?
C11 H11A 0.9500 . ?
C12 C13 1.4191(19) . ?
C12 C17 1.4315(18) . ?
C12 C18 1.5040(19) . ?
C13 C14 1.4305(19) . ?
C13 H13A 1.0000 . ?
C14 C15 1.4045(18) . ?
C14 H14A 1.0000 . ?
C15 C16 1.4325(18) . ?
C15 C19 1.5178(18) . ?
C16 C17 1.4103(18) . ?
C16 H16A 1.0000 . ?
C17 H17A 1.0000 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.531(2) . ?
C19 C21 1.5351(19) . ?
C19 H19A 1.0000 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 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
C1 Ru N1 82.89(5) . . ?
C1 Ru C12 86.98(5) . . ?
N1 Ru C12 126.72(5) . . ?
C1 Ru C13 107.93(5) . . ?
N1 Ru C13 97.43(5) . . ?
C12 Ru C13 37.90(5) . . ?
C1 Ru C17 96.98(5) . . ?
N1 Ru C17 164.47(5) . . ?
C12 Ru C17 38.03(5) . . ?
C13 Ru C17 67.75(5) . . ?
C1 Ru C16 128.62(5) . . ?
N1 Ru C16 148.02(5) . . ?
C12 Ru C16 67.95(5) . . ?
C13 Ru C16 79.29(5) . . ?
C17 Ru C16 37.20(5) . . ?
C1 Ru C14 144.43(5) . . ?
N1 Ru C14 92.51(4) . . ?
C12 Ru C14 67.65(5) . . ?
C13 Ru C14 37.50(5) . . ?
C17 Ru C14 78.52(5) . . ?
C16 Ru C14 65.44(5) . . ?
C1 Ru C15 163.77(5) . . ?
N1 Ru C15 112.62(4) . . ?
C12 Ru C15 79.87(5) . . ?
C13 Ru C15 66.68(5) . . ?
C17 Ru C15 66.79(5) . . ?
C16 Ru C15 36.79(5) . . ?
C14 Ru C15 35.72(5) . . ?
C1 Ru Cl 85.86(4) . . ?
N1 Ru Cl 87.16(3) . . ?
C12 Ru Cl 144.06(4) . . ?
C13 Ru Cl 165.86(4) . . ?
C17 Ru Cl 108.34(4) . . ?
C16 Ru Cl 89.72(3) . . ?
C14 Ru Cl 129.29(4) . . ?
C15 Ru Cl 99.20(3) . . ?
C11 O2 C8 106.63(12) . . ?
C6 N1 C7 113.95(11) . . ?
C6 N1 Ru 126.51(9) . . ?
C7 N1 Ru 119.34(8) . . ?
C1 N2 C2 109.14(11) . . ?
C1 N2 C5 123.99(11) . . ?
C2 N2 C5 126.84(11) . . ?
C1 N3 N4 113.55(11) . . ?
C1 N3 C3 128.27(12) . . ?
N4 N3 C3 118.18(11) . . ?
C2 N4 N3 103.59(11) . . ?
N3 C1 N2 102.91(11) . . ?
N3 C1 Ru 134.84(9) . . ?
N2 C1 Ru 122.15(9) . . ?
N4 C2 N2 110.81(12) . . ?
N4 C2 H2A 124.6 . . ?
N2 C2 H2A 124.6 . . ?
N3 C3 C4 110.93(12) . . ?
N3 C3 H3A 109.5 . . ?
C4 C3 H3A 109.5 . . ?
N3 C3 H3B 109.5 . . ?
C4 C3 H3B 109.5 . . ?
H3A C3 H3B 108.0 . . ?
C3 C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C3 C4 H4D 109.5 . . ?
H4B C4 H4D 109.5 . . ?
H4C C4 H4D 109.5 . . ?
N2 C5 C6 110.78(10) . . ?
N2 C5 H5A 109.5 . . ?
C6 C5 H5A 109.5 . . ?
N2 C5 H5B 109.5 . . ?
C6 C5 H5B 109.5 . . ?
H5A C5 H5B 108.1 . . ?
O1 C6 N1 126.02(12) . . ?
O1 C6 C5 117.27(11) . . ?
N1 C6 C5 116.70(11) . . ?
N1 C7 C8 115.29(11) . . ?
N1 C7 H7A 108.5 . . ?
C8 C7 H7A 108.5 . . ?
N1 C7 H7B 108.5 . . ?
C8 C7 H7B 108.5 . . ?
H7A C7 H7B 107.5 . . ?
C9 C8 O2 109.56(12) . . ?
C9 C8 C7 133.72(13) . . ?
O2 C8 C7 116.60(12) . . ?
C8 C9 C10 106.95(14) . . ?
C8 C9 H9A 126.5 . . ?
C10 C9 H9A 126.5 . . ?
C11 C10 C9 106.15(14) . . ?
C11 C10 H10A 126.9 . . ?
C9 C10 H10A 126.9 . . ?
C10 C11 O2 110.71(14) . . ?
C10 C11 H11A 124.6 . . ?
O2 C11 H11A 124.6 . . ?
C13 C12 C17 118.52(12) . . ?
C13 C12 C18 121.11(12) . . ?
C17 C12 C18 120.34(12) . . ?
C13 C12 Ru 71.15(7) . . ?
C17 C12 Ru 71.99(7) . . ?
C18 C12 Ru 126.79(9) . . ?
C12 C13 C14 120.48(12) . . ?
C12 C13 Ru 70.94(7) . . ?
C14 C13 Ru 74.02(7) . . ?
C12 C13 H13A 119.5 . . ?
C14 C13 H13A 119.5 . . ?
Ru C13 H13A 119.5 . . ?
C15 C14 C13 121.80(12) . . ?
C15 C14 Ru 74.39(7) . . ?
C13 C14 Ru 68.48(7) . . ?
C15 C14 H14A 118.3 . . ?
C13 C14 H14A 118.3 . . ?
Ru C14 H14A 118.3 . . ?
C14 C15 C16 116.83(12) . . ?
C14 C15 C19 121.72(12) . . ?
C16 C15 C19 121.35(11) . . ?
C14 C15 Ru 69.89(7) . . ?
C16 C15 Ru 67.60(7) . . ?
C19 C15 Ru 136.88(9) . . ?
C17 C16 C15 122.57(12) . . ?
C17 C16 Ru 71.34(7) . . ?
C15 C16 Ru 75.61(7) . . ?
C17 C16 H16A 118.4 . . ?
C15 C16 H16A 118.4 . . ?
Ru C16 H16A 118.4 . . ?
C16 C17 C12 119.58(12) . . ?
C16 C17 Ru 71.46(7) . . ?
C12 C17 Ru 69.98(7) . . ?
C16 C17 H17A 119.5 . . ?
C12 C17 H17A 119.5 . . ?
Ru C17 H17A 119.5 . . ?
C12 C18 H18A 109.5 . . ?
C12 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C12 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C15 C19 C20 114.29(12) . . ?
C15 C19 C21 108.69(11) . . ?
C20 C19 C21 109.85(12) . . ?
C15 C19 H19A 107.9 . . ?
C20 C19 H19A 107.9 . . ?
C21 C19 H19A 107.9 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 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
C1 Ru N1 C6 38.81(11) . . . . ?
C12 Ru N1 C6 -42.02(13) . . . . ?
C13 Ru N1 C6 -68.44(11) . . . . ?
C17 Ru N1 C6 -51.7(2) . . . . ?
C16 Ru N1 C6 -150.10(10) . . . . ?
C14 Ru N1 C6 -105.78(11) . . . . ?
C15 Ru N1 C6 -136.22(10) . . . . ?
Cl Ru N1 C6 124.99(11) . . . . ?
C1 Ru N1 C7 -135.63(10) . . . . ?
C12 Ru N1 C7 143.54(9) . . . . ?
C13 Ru N1 C7 117.11(9) . . . . ?
C17 Ru N1 C7 133.89(16) . . . . ?
C16 Ru N1 C7 35.45(14) . . . . ?
C14 Ru N1 C7 79.78(10) . . . . ?
C15 Ru N1 C7 49.34(10) . . . . ?
Cl Ru N1 C7 -49.46(9) . . . . ?
C1 N3 N4 C2 0.00(15) . . . . ?
C3 N3 N4 C2 179.84(12) . . . . ?
N4 N3 C1 N2 0.26(14) . . . . ?
C3 N3 C1 N2 -179.56(13) . . . . ?
N4 N3 C1 Ru 176.58(10) . . . . ?
C3 N3 C1 Ru -3.2(2) . . . . ?
C2 N2 C1 N3 -0.40(14) . . . . ?
C5 N2 C1 N3 -178.53(11) . . . . ?
C2 N2 C1 Ru -177.32(9) . . . . ?
C5 N2 C1 Ru 4.55(17) . . . . ?
N1 Ru C1 N3 144.42(14) . . . . ?
C12 Ru C1 N3 -87.99(14) . . . . ?
C13 Ru C1 N3 -120.04(13) . . . . ?
C17 Ru C1 N3 -51.23(14) . . . . ?
C16 Ru C1 N3 -29.55(16) . . . . ?
C14 Ru C1 N3 -131.24(13) . . . . ?
C15 Ru C1 N3 -52.2(2) . . . . ?
Cl Ru C1 N3 56.76(13) . . . . ?
N1 Ru C1 N2 -39.82(10) . . . . ?
C12 Ru C1 N2 87.77(11) . . . . ?
C13 Ru C1 N2 55.72(11) . . . . ?
C17 Ru C1 N2 124.53(10) . . . . ?
C16 Ru C1 N2 146.21(9) . . . . ?
C14 Ru C1 N2 44.52(15) . . . . ?
C15 Ru C1 N2 123.57(16) . . . . ?
Cl Ru C1 N2 -127.47(10) . . . . ?
N3 N4 C2 N2 -0.26(15) . . . . ?
C1 N2 C2 N4 0.44(15) . . . . ?
C5 N2 C2 N4 178.50(12) . . . . ?
C1 N3 C3 C4 -119.78(16) . . . . ?
N4 N3 C3 C4 60.41(17) . . . . ?
C1 N2 C5 C6 50.59(16) . . . . ?
C2 N2 C5 C6 -127.19(13) . . . . ?
C7 N1 C6 O1 -4.16(19) . . . . ?
Ru N1 C6 O1 -178.86(10) . . . . ?
C7 N1 C6 C5 174.53(10) . . . . ?
Ru N1 C6 C5 -0.17(16) . . . . ?
N2 C5 C6 O1 128.21(12) . . . . ?
N2 C5 C6 N1 -50.59(15) . . . . ?
C6 N1 C7 C8 76.71(14) . . . . ?
Ru N1 C7 C8 -108.18(11) . . . . ?
C11 O2 C8 C9 -0.04(16) . . . . ?
C11 O2 C8 C7 176.55(12) . . . . ?
N1 C7 C8 C9 -107.61(17) . . . . ?
N1 C7 C8 O2 76.83(15) . . . . ?
O2 C8 C9 C10 0.24(16) . . . . ?
C7 C8 C9 C10 -175.54(14) . . . . ?
C8 C9 C10 C11 -0.35(17) . . . . ?
C9 C10 C11 O2 0.34(18) . . . . ?
C8 O2 C11 C10 -0.19(17) . . . . ?
C1 Ru C12 C13 -124.73(8) . . . . ?
N1 Ru C12 C13 -45.91(9) . . . . ?
C17 Ru C12 C13 129.91(11) . . . . ?
C16 Ru C12 C13 101.19(8) . . . . ?
C14 Ru C12 C13 29.75(7) . . . . ?
C15 Ru C12 C13 64.83(8) . . . . ?
Cl Ru C12 C13 156.58(6) . . . . ?
C1 Ru C12 C17 105.37(8) . . . . ?
N1 Ru C12 C17 -175.82(7) . . . . ?
C13 Ru C12 C17 -129.91(11) . . . . ?
C16 Ru C12 C17 -28.72(7) . . . . ?
C14 Ru C12 C17 -100.16(8) . . . . ?
C15 Ru C12 C17 -65.07(8) . . . . ?
Cl Ru C12 C17 26.67(11) . . . . ?
C1 Ru C12 C18 -9.48(12) . . . . ?
N1 Ru C12 C18 69.33(13) . . . . ?
C13 Ru C12 C18 115.24(15) . . . . ?
C17 Ru C12 C18 -114.85(15) . . . . ?
C16 Ru C12 C18 -143.57(13) . . . . ?
C14 Ru C12 C18 144.99(13) . . . . ?
C15 Ru C12 C18 -179.92(12) . . . . ?
Cl Ru C12 C18 -88.18(12) . . . . ?
C17 C12 C13 C14 -1.10(18) . . . . ?
C18 C12 C13 C14 -179.44(12) . . . . ?
Ru C12 C13 C14 -57.23(11) . . . . ?
C17 C12 C13 Ru 56.13(10) . . . . ?
C18 C12 C13 Ru -122.22(12) . . . . ?
C1 Ru C13 C12 59.61(8) . . . . ?
N1 Ru C13 C12 144.51(7) . . . . ?
C17 Ru C13 C12 -30.70(7) . . . . ?
C16 Ru C13 C12 -67.72(8) . . . . ?
C14 Ru C13 C12 -131.08(11) . . . . ?
C15 Ru C13 C12 -104.01(8) . . . . ?
Cl Ru C13 C12 -107.25(15) . . . . ?
C1 Ru C13 C14 -169.31(7) . . . . ?
N1 Ru C13 C14 -84.41(8) . . . . ?
C12 Ru C13 C14 131.08(11) . . . . ?
C17 Ru C13 C14 100.38(8) . . . . ?
C16 Ru C13 C14 63.36(8) . . . . ?
C15 Ru C13 C14 27.07(7) . . . . ?
Cl Ru C13 C14 23.83(19) . . . . ?
C12 C13 C14 C15 1.55(19) . . . . ?
Ru C13 C14 C15 -54.21(11) . . . . ?
C12 C13 C14 Ru 55.76(11) . . . . ?
C1 Ru C14 C15 151.96(9) . . . . ?
N1 Ru C14 C15 -126.77(8) . . . . ?
C12 Ru C14 C15 104.24(8) . . . . ?
C13 Ru C14 C15 134.29(12) . . . . ?
C17 Ru C14 C15 66.02(8) . . . . ?
C16 Ru C14 C15 29.23(8) . . . . ?
Cl Ru C14 C15 -38.38(9) . . . . ?
C1 Ru C14 C13 17.67(12) . . . . ?
N1 Ru C14 C13 98.94(8) . . . . ?
C12 Ru C14 C13 -30.05(7) . . . . ?
C17 Ru C14 C13 -68.27(8) . . . . ?
C16 Ru C14 C13 -105.06(8) . . . . ?
C15 Ru C14 C13 -134.29(12) . . . . ?
Cl Ru C14 C13 -172.67(6) . . . . ?
C13 C14 C15 C16 1.39(18) . . . . ?
Ru C14 C15 C16 -50.20(10) . . . . ?
C13 C14 C15 C19 -174.98(12) . . . . ?
Ru C14 C15 C19 133.43(12) . . . . ?
C13 C14 C15 Ru 51.59(11) . . . . ?
C1 Ru C15 C14 -101.99(18) . . . . ?
N1 Ru C15 C14 60.11(9) . . . . ?
C12 Ru C15 C14 -65.60(8) . . . . ?
C13 Ru C15 C14 -28.33(8) . . . . ?
C17 Ru C15 C14 -103.03(9) . . . . ?
C16 Ru C15 C14 -132.14(12) . . . . ?
Cl Ru C15 C14 150.87(7) . . . . ?
C1 Ru C15 C16 30.2(2) . . . . ?
N1 Ru C15 C16 -167.75(7) . . . . ?
C12 Ru C15 C16 66.54(8) . . . . ?
C13 Ru C15 C16 103.81(8) . . . . ?
C17 Ru C15 C16 29.11(7) . . . . ?
C14 Ru C15 C16 132.14(12) . . . . ?
Cl Ru C15 C16 -76.99(7) . . . . ?
C1 Ru C15 C19 142.67(17) . . . . ?
N1 Ru C15 C19 -55.24(14) . . . . ?
C12 Ru C15 C19 179.06(14) . . . . ?
C13 Ru C15 C19 -143.68(15) . . . . ?
C17 Ru C15 C19 141.62(15) . . . . ?
C16 Ru C15 C19 112.52(16) . . . . ?
C14 Ru C15 C19 -115.35(17) . . . . ?
Cl Ru C15 C19 35.52(14) . . . . ?
C14 C15 C16 C17 -4.94(18) . . . . ?
C19 C15 C16 C17 171.45(12) . . . . ?
Ru C15 C16 C17 -56.23(11) . . . . ?
C14 C15 C16 Ru 51.29(10) . . . . ?
C19 C15 C16 Ru -132.32(12) . . . . ?
C1 Ru C16 C17 -37.33(10) . . . . ?
N1 Ru C16 C17 154.02(8) . . . . ?
C12 Ru C16 C17 29.31(7) . . . . ?
C13 Ru C16 C17 67.15(8) . . . . ?
C14 Ru C16 C17 103.89(8) . . . . ?
C15 Ru C16 C17 132.32(11) . . . . ?
Cl Ru C16 C17 -121.80(7) . . . . ?
C1 Ru C16 C15 -169.65(7) . . . . ?
N1 Ru C16 C15 21.70(13) . . . . ?
C12 Ru C16 C15 -103.00(8) . . . . ?
C13 Ru C16 C15 -65.17(8) . . . . ?
C17 Ru C16 C15 -132.32(11) . . . . ?
C14 Ru C16 C15 -28.42(7) . . . . ?
Cl Ru C16 C15 105.89(7) . . . . ?
C15 C16 C17 C12 5.47(19) . . . . ?
Ru C16 C17 C12 -52.73(11) . . . . ?
C15 C16 C17 Ru 58.20(11) . . . . ?
C13 C12 C17 C16 -2.29(18) . . . . ?
C18 C12 C17 C16 176.06(12) . . . . ?
Ru C12 C17 C16 53.42(11) . . . . ?
C13 C12 C17 Ru -55.71(10) . . . . ?
C18 C12 C17 Ru 122.64(12) . . . . ?
C1 Ru C17 C16 151.49(8) . . . . ?
N1 Ru C17 C16 -119.96(16) . . . . ?
C12 Ru C17 C16 -132.56(11) . . . . ?
C13 Ru C17 C16 -101.95(8) . . . . ?
C14 Ru C17 C16 -64.28(8) . . . . ?
C15 Ru C17 C16 -28.80(7) . . . . ?
Cl Ru C17 C16 63.56(8) . . . . ?
C1 Ru C17 C12 -75.95(8) . . . . ?
N1 Ru C17 C12 12.6(2) . . . . ?
C13 Ru C17 C12 30.61(8) . . . . ?
C16 Ru C17 C12 132.56(11) . . . . ?
C14 Ru C17 C12 68.27(8) . . . . ?
C15 Ru C17 C12 103.75(8) . . . . ?
Cl Ru C17 C12 -163.89(7) . . . . ?
C14 C15 C19 C20 -124.05(15) . . . . ?
C16 C15 C19 C20 59.74(17) . . . . ?
Ru C15 C19 C20 -30.1(2) . . . . ?
C14 C15 C19 C21 112.87(14) . . . . ?
C16 C15 C19 C21 -63.34(16) . . . . ?
Ru C15 C19 C21 -153.20(11) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        30.53
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.644
_refine_diff_density_min         -0.419
_refine_diff_density_rms         0.066


