Bis­[(R)-1-phenyl­ethyl isocyanido](5,10,15,20-tetrakis{2,6-bis[(S)-2,2-di­methyl-1,3-dioxolan-4-yl­methyl­oxy]­phenyl}­porphyrin)­ruthenium(II) at 110 K

The geometry about the Ru atom in the title compound, [Ru(C₉H₉N)₂(C₉₂H₁₀₈N₄O₂₄)], is approximately tetragonal and the porphyrin ring is nearly planar, while the C-N-R angles [169.3 (3) and 163.9 (3)°] of the isocyanide ligands in the complex are different from the value of 180° expected in the free ligand.

S1. Comment

During the past few years, we have been investigating the use of optically active ruthenium porphyrins in chiral recognition of racemic phosphines (Le Maux et al., 1991) and amino esters (Morice et al., 1998). A few isocyanide derivatives of iron porphyrins (Jameson & Ibers, 1979) and ruthenium porphyrins (Geze et al., 1992) have been described. However, no structural studies on ruthenium porphyrins bearing eight independent chiral pickets have been reported. The title compound, (I), was prepared as part as of a chiral recognition study of racemic isocyanides with metalloporphyrins (Galardon et al., 1999).

The porphyrin ring is nearly planar, with the Ru atom in the centre. The average Ru—N_p bond distances [2.054 (2) Å; N_p is an N atom of the porphyrin ring] falls within the range of distances reported for chiral porphyrins Ru^II complexes (Le Maux et al., 1995; Gross et al., 1996; Lo et al., 1997). This planarity is similar to that observed with (TPP)Fe^II(CN^tBu)₂ (TPP is triphenylphosphine; Jameson & Ibers, 1979). The N_p—Ru—C_CN angles vary between 83.7 and 95.9° (C_CN is the isocyanide C atom), and the C_CN—Ru—C_CN angle is non-linear [175.02 (11)°]. A similar situation has been observed previously in (TPP)Fe(CN^tBu)₂ (Jameson & Ibers, 1979) and was imputed to crystal-packing effects. The Ru—C_CN bond [average 2.002 (3) Å] is longer than the Ru—CO [1.77 (2) (Bonnet et al., 1973) and 1.79 (2) Å (Le Maux et al., 1995)] or Ru═C [1.829 (9) Å; Galardon et al., 1998] bonds of porphyrin–ruthenium complexes.

The C—N–R angles [169.3 (3) and 163.9 (3)°] of the isocyanide ligands in the complex are different from the value of 180° expected in the free ligand. This bending is close to that reported for (TPP)Fe(CN^tBu)₂ (Jameson & Ibers, 1979). The phenyl groups of the isocyanide are nearly perpendicular to one another, probably because of crystal-packing effects.

The rather high values of the displacement parameters of the chiral groups attached to the phenyl ring suggest a large motion of these groups (very large at room temperature, see below), as can also be seen in the crystal structure (Figs. 1 and 2), a relatively large cavity results since the chiral groups extend far above the porphyrin mean plane. Contrary to our expectation, only weak steric effects are present and may also explain the weak chiral recognition (Galardon et al., 1999).

S2. Experimental

The title compound was prepared from the chiral ruthenium porphyrin precursor and eight equivalents of (R)-1-phenylethyl isocyanide, as previously reported for the racemic ligands (Galardon et al., 1999). Crystals suitable for X-ray analysis were obtained by slow evaporation of a CH₂Cl₂–hexane solution in the presence of a small excess of isocyanide.

S3. Refinement

In a previous study at room temperature, due to their large thermal expansion, some difficulties were encountered in localizing the dimethyl dioxolane pickets(?). So, in the further refinement calculations, it was necessary to set bond and angle restraints for these groups. This method leads to high values for R and s.u.'s, and a too low r/p ratio. In this situation, the use of the CCD technique at low temperature results in a decrease in the thermal motion and a significant increase in the r/p ratio. Most of the H atoms were found in a difference Fourier map (except for the dimethyl dioxolane pickets). These were treated as riding (using the AFIX x3 command in SHELXL97). It was also possible to confirm unambiguously the absolute configuration using the Friedel pairs and to obtain good geometrical data.

Computing details

Data collection: KappaCCD Software (Nonius, 1999); cell refinement: HKL SCALEPACK (Otwinowski & Minor 1997); data reduction: HKL DENZO and SCALEPACK (Otwinowski & Minor 1997); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 1998); software used to prepare material for publication: SHELXL97.

Figures

Fig. 1. The structure of the title compound showing 50% probability displacement ellipsoids.

(I)

Crystal data

[Ru(C9H9N)2(C92H108N4O24)]	F(000) = 2128
Mr = 2017.24	Dx = 1.292 Mg m^−3
Monoclinic, P21	Mo Kα radiation, λ = 0.71069 Å
a = 18.5099 (2) Å	Cell parameters from 157703 reflections
b = 15.0831 (2) Å	θ = 1.0–27.9°
c = 18.5766 (2) Å	µ = 0.23 mm^−1
β = 90.5023 (6)°	T = 110 K
V = 5186.14 (10) Å^3	Block, purple
Z = 2	0.38 × 0.28 × 0.25 mm

Data collection

Enraf-Nonius KappaCCD diffractometer	24735 independent reflections
Radiation source: fine-focus sealed tube	22116 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.000
Detector resolution: 19.11 pixels mm^-1	θmax = 27.9°, θmin = 2.1°
Area–detector scans (see text)	h = −24→24
Absorption correction: analytical (de Meulenaer & Tompa, 1965; Alcock, 1970)	k = −19→19
Tmin = 0.895, Tmax = 0.932	l = −24→24
82451 measured reflections

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: difmap and geom
R[F^2 > 2σ(F^2)] = 0.039	H-atom parameters constrained
wR(F^2) = 0.103	w = 1/[σ^2(Fo^2) + (0.0635P)^2 + 1.5527P] where P = (Fo^2 + 2Fc^2)/3
S = 1.03	(Δ/σ)max = 0.002
24735 reflections	Δρmax = 0.78 e Å^−3
1270 parameters	Δρmin = −0.78 e Å^−3
1 restraint	Absolute structure: Flack (1983)
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: −0.039 (12); 11880 Friedel pairs

Special details

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

Refinement. 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 > σ(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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Ru1	0.751749 (9)	0.932404 (14)	0.745875 (8)	0.01592 (4)
O1	0.80517 (9)	1.02513 (11)	0.45832 (9)	0.0266 (4)
O2	0.79289 (10)	0.76721 (13)	0.36453 (10)	0.0334 (4)
O3	0.87141 (11)	0.87271 (14)	0.32525 (11)	0.0427 (5)
O4	0.70496 (10)	1.23733 (12)	0.61286 (9)	0.0271 (4)
O5	0.50595 (12)	1.20616 (17)	0.68425 (11)	0.0496 (5)
O6	0.51990 (12)	1.32027 (16)	0.60516 (15)	0.0577 (6)
O7	0.82490 (10)	1.19519 (13)	0.92321 (11)	0.0313 (4)
O8	0.66899 (10)	1.31709 (13)	0.81340 (10)	0.0361 (4)
O9	0.74542 (12)	1.40873 (13)	0.87484 (13)	0.0479 (5)
O10	1.02369 (9)	1.05688 (12)	0.81714 (9)	0.0273 (4)
O11	1.06698 (12)	0.81458 (14)	0.80523 (10)	0.0408 (5)
O12	1.13681 (11)	0.87915 (14)	0.89287 (11)	0.0397 (5)
O13	0.81075 (11)	0.64262 (12)	0.92168 (10)	0.0305 (4)
O14	0.99219 (12)	0.56099 (14)	0.79536 (11)	0.0452 (5)
O15	0.94537 (12)	0.47732 (14)	0.88687 (11)	0.0425 (5)
O16	0.65073 (10)	0.85912 (12)	1.00172 (9)	0.0311 (4)
O17	0.65515 (13)	1.10374 (15)	1.10142 (12)	0.0481 (5)
O18	0.63013 (15)	0.98279 (14)	1.16867 (11)	0.0516 (6)
O19	0.68324 (10)	0.65242 (13)	0.58916 (11)	0.0324 (4)
O20	0.84952 (11)	0.51425 (15)	0.66895 (11)	0.0421 (5)
O21	0.83717 (11)	0.51898 (14)	0.54813 (10)	0.0413 (5)
O22	0.48064 (9)	0.81166 (13)	0.65903 (10)	0.0319 (4)
O23	0.35161 (11)	1.02424 (14)	0.60975 (10)	0.0389 (5)
O24	0.31420 (9)	0.92625 (15)	0.69239 (9)	0.0359 (4)
N1	0.70220 (8)	0.93131 (17)	0.64645 (8)	0.0163 (3)
N2	0.80617 (10)	1.04588 (13)	0.71884 (9)	0.0178 (4)
N3	0.80014 (9)	0.93353 (17)	0.84604 (8)	0.0174 (3)
N4	0.69776 (10)	0.81836 (13)	0.77255 (10)	0.0182 (4)
N5	0.89664 (12)	0.85270 (15)	0.68610 (11)	0.0293 (5)
N6	0.61961 (12)	1.04122 (15)	0.80552 (12)	0.0304 (5)
C1	0.65203 (12)	0.87051 (15)	0.62231 (12)	0.0188 (4)
C2	0.62579 (14)	0.89745 (17)	0.55176 (13)	0.0242 (5)
H2	0.5914	0.8681	0.5237	0.029*
C3	0.66069 (14)	0.97329 (18)	0.53442 (13)	0.0242 (5)
H3	0.6547	1.0057	0.4922	0.029*
C4	0.70912 (12)	0.99481 (15)	0.59351 (12)	0.0186 (4)
C5	0.75597 (12)	1.06776 (15)	0.59667 (11)	0.0183 (4)
C6	0.80212 (12)	1.08928 (16)	0.65429 (11)	0.0190 (4)
C7	0.85284 (13)	1.16287 (16)	0.65532 (12)	0.0215 (5)
H7	0.8612	1.2026	0.6180	0.026*
C8	0.88559 (13)	1.16281 (16)	0.72048 (12)	0.0214 (5)
H8	0.9206	1.2026	0.7364	0.026*
C9	0.85624 (12)	1.08960 (16)	0.76104 (12)	0.0194 (4)
C10	0.87507 (12)	1.06763 (15)	0.83179 (12)	0.0198 (4)
C11	0.84854 (12)	0.99537 (16)	0.87107 (12)	0.0199 (5)
C12	0.86776 (14)	0.97419 (17)	0.94447 (12)	0.0222 (5)
H12	0.8997	1.0055	0.9738	0.027*
C13	0.83086 (14)	0.90051 (16)	0.96264 (12)	0.0221 (5)
H13	0.8327	0.8715	1.0068	0.027*
C14	0.78781 (12)	0.87509 (15)	0.90057 (11)	0.0189 (4)
C15	0.74154 (12)	0.80193 (16)	0.89757 (12)	0.0205 (5)
C16	0.69989 (12)	0.77599 (15)	0.83795 (12)	0.0182 (4)
C17	0.65223 (13)	0.70074 (16)	0.83603 (13)	0.0234 (5)
H17	0.6435	0.6615	0.8736	0.028*
C18	0.62248 (13)	0.69774 (16)	0.76940 (12)	0.0229 (5)
H18	0.5901	0.6554	0.7524	0.027*
C19	0.65012 (12)	0.77197 (15)	0.72961 (12)	0.0196 (4)
C20	0.62945 (12)	0.79549 (16)	0.65957 (12)	0.0197 (4)
C21	0.75388 (12)	1.13169 (16)	0.53436 (12)	0.0204 (5)
C22	0.77841 (12)	1.10892 (16)	0.46560 (12)	0.0227 (5)
C23	0.77619 (13)	1.17047 (18)	0.40931 (12)	0.0271 (5)
H23	0.7915	1.1543	0.3636	0.033*
C24	0.75131 (13)	1.25490 (18)	0.42168 (13)	0.0283 (5)
H24	0.7512	1.2960	0.3843	0.034*
C25	0.72640 (13)	1.27991 (17)	0.48866 (13)	0.0282 (5)
H25	0.7095	1.3371	0.4965	0.034*
C26	0.72707 (13)	1.21742 (17)	0.54456 (12)	0.0230 (5)
C27	0.82892 (15)	0.99981 (19)	0.38799 (14)	0.0303 (6)
H27A	0.8718	1.0327	0.3747	0.036*
H27B	0.7914	1.0107	0.3523	0.036*
C28	0.84509 (15)	0.90265 (18)	0.39348 (14)	0.0295 (6)
H28	0.8814	0.8920	0.4312	0.035*
C29	0.77898 (15)	0.84505 (19)	0.40623 (15)	0.0335 (6)
H29A	0.7742	0.8306	0.4569	0.040*
H29B	0.7353	0.8745	0.3898	0.040*
C30	0.83208 (15)	0.79575 (19)	0.30314 (14)	0.0338 (6)
C31	0.7808 (2)	0.8208 (2)	0.24213 (17)	0.0512 (8)
H31A	0.8082	0.8398	0.2013	0.061*
H31B	0.7499	0.8681	0.2575	0.061*
H31C	0.7520	0.7703	0.2291	0.061*
C32	0.88523 (17)	0.7238 (2)	0.28268 (16)	0.0423 (7)
H32A	0.9118	0.7421	0.2411	0.051*
H32B	0.8594	0.6701	0.2720	0.051*
H32C	0.9182	0.7135	0.3220	0.051*
C33	0.64633 (14)	1.29806 (18)	0.62154 (14)	0.0308 (5)
H33A	0.6569	1.3528	0.5963	0.037*
H33B	0.6407	1.3118	0.6722	0.037*
C34	0.57663 (15)	1.2587 (2)	0.59212 (17)	0.0375 (6)
H34	0.5810	1.2479	0.5403	0.045*
C35	0.55280 (19)	1.1749 (2)	0.6298 (2)	0.0527 (8)
H35A	0.5275	1.1356	0.5968	0.063*
H35B	0.5938	1.1437	0.6505	0.063*
C36	0.47139 (18)	1.2806 (3)	0.65633 (19)	0.0563 (9)
C37	0.4604 (5)	1.3467 (5)	0.7149 (4)	0.151 (3)
H37A	0.4365	1.3981	0.6957	0.182*
H37B	0.5064	1.3636	0.7349	0.182*
H37C	0.4312	1.3210	0.7519	0.182*
C38	0.4034 (2)	1.2529 (4)	0.6149 (3)	0.0963 (19)
H38A	0.3798	1.3046	0.5960	0.116*
H38B	0.3713	1.2223	0.6467	0.116*
H38C	0.4165	1.2144	0.5760	0.116*
C39	0.92581 (13)	1.12923 (16)	0.87089 (12)	0.0207 (5)
C40	0.89830 (13)	1.19600 (17)	0.91483 (13)	0.0249 (5)
C41	0.94493 (15)	1.25479 (18)	0.95106 (13)	0.0291 (5)
H41	0.9265	1.3008	0.9788	0.035*
C42	1.01880 (15)	1.24299 (18)	0.94471 (13)	0.0299 (6)
H42	1.0499	1.2807	0.9696	0.036*
C43	1.04730 (14)	1.17692 (17)	0.90251 (13)	0.0258 (5)
H43	1.0971	1.1702	0.8990	0.031*
C44	1.00090 (13)	1.12031 (16)	0.86514 (12)	0.0208 (5)
C45	0.78762 (15)	1.2780 (2)	0.93237 (15)	0.0340 (6)
H45A	0.8125	1.3135	0.9684	0.041*
H45B	0.7390	1.2668	0.9491	0.041*
C46	0.78442 (15)	1.32804 (18)	0.86213 (15)	0.0357 (6)
H46	0.8332	1.3409	0.8449	0.043*
C47	0.73958 (16)	1.2817 (2)	0.80340 (16)	0.0382 (6)
H47A	0.7576	1.2956	0.7559	0.046*
H47B	0.7399	1.2179	0.8099	0.046*
C48	0.68002 (16)	1.40735 (18)	0.83336 (16)	0.0370 (6)
C49	0.61788 (18)	1.4346 (3)	0.88111 (18)	0.0549 (8)
H49A	0.6239	1.4954	0.8953	0.066*
H49B	0.6172	1.3976	0.9231	0.066*
H49C	0.5732	1.4281	0.8551	0.066*
C50	0.6879 (2)	1.4669 (2)	0.76862 (19)	0.0510 (8)
H50A	0.6950	1.5270	0.7843	0.061*
H50B	0.6449	1.4635	0.7394	0.061*
H50C	0.7287	1.4482	0.7409	0.061*
C51	1.08808 (14)	1.00826 (19)	0.83257 (15)	0.0300 (6)
H51A	1.1235	1.0472	0.8548	0.036*
H51B	1.1082	0.9859	0.7881	0.036*
C52	1.07227 (13)	0.9307 (2)	0.88318 (12)	0.0306 (5)
H52	1.0545	0.9522	0.9295	0.037*
C53	1.02099 (16)	0.86499 (19)	0.85092 (15)	0.0362 (6)
H53A	0.9994	0.8280	0.8876	0.043*
H53B	0.9830	0.8942	0.8235	0.043*
C54	1.13543 (18)	0.8084 (2)	0.84080 (15)	0.0410 (7)
C55	1.1937 (2)	0.8196 (3)	0.7858 (2)	0.0598 (10)
H55A	1.2401	0.8156	0.8089	0.072*
H55B	1.1888	0.8765	0.7631	0.072*
H55C	1.1894	0.7738	0.7501	0.072*
C56	1.1410 (2)	0.7190 (2)	0.88039 (17)	0.0517 (8)
H56A	1.1870	0.7150	0.9045	0.062*
H56B	1.1365	0.6715	0.8463	0.062*
H56C	1.1030	0.7147	0.9151	0.062*
C57	0.73211 (13)	0.74937 (16)	0.96532 (12)	0.0222 (5)
C58	0.76776 (13)	0.66943 (17)	0.97646 (13)	0.0249 (5)
C59	0.75841 (14)	0.62213 (18)	1.04077 (14)	0.0299 (5)
H59	0.7824	0.5688	1.0485	0.036*
C60	0.71304 (15)	0.65611 (19)	1.09219 (13)	0.0326 (6)
H60	0.7071	0.6248	1.1349	0.039*
C61	0.67604 (15)	0.73482 (19)	1.08289 (13)	0.0319 (6)
H61	0.6457	0.7564	1.1185	0.038*
C62	0.68543 (13)	0.78119 (17)	1.01862 (12)	0.0251 (5)
C63	0.85663 (16)	0.56721 (18)	0.93646 (15)	0.0350 (6)
H63A	0.8281	0.5175	0.9532	0.042*
H63B	0.8922	0.5819	0.9732	0.042*
C64	0.89305 (16)	0.54426 (19)	0.86774 (16)	0.0366 (6)
H64	0.8580	0.5210	0.8327	0.044*
C65	0.94026 (17)	0.6135 (2)	0.83365 (16)	0.0414 (7)
H65A	0.9127	0.6510	0.8011	0.050*
H65B	0.9636	0.6503	0.8698	0.050*
C66	0.99778 (15)	0.4774 (2)	0.83113 (14)	0.0355 (6)
C67	0.98115 (17)	0.4029 (2)	0.77913 (16)	0.0441 (7)
H67A	1.0163	0.4027	0.7414	0.053*
H67B	0.9338	0.4114	0.7587	0.053*
H67C	0.9828	0.3473	0.8042	0.053*
C68	1.07179 (18)	0.4695 (2)	0.86531 (19)	0.0503 (8)
H68A	1.1078	0.4697	0.8284	0.060*
H68B	1.0748	0.4151	0.8920	0.060*
H68C	1.0798	0.5187	0.8972	0.060*
C69	0.61380 (15)	0.90606 (19)	1.05763 (14)	0.0363 (6)
H69A	0.5846	0.8650	1.0851	0.044*
H69B	0.5819	0.9501	1.0364	0.044*
C70	0.66775 (17)	0.9509 (2)	1.10689 (14)	0.0399 (7)
H70	0.7057	0.9091	1.1215	0.048*
C71	0.70140 (18)	1.0350 (2)	1.07491 (18)	0.0449 (7)
H71A	0.7507	1.0431	1.0917	0.054*
H71B	0.7008	1.0332	1.0227	0.054*
C72	0.63349 (17)	1.0766 (2)	1.17161 (16)	0.0398 (6)
C73	0.55921 (19)	1.1119 (3)	1.1865 (2)	0.0647 (10)
H73A	0.5447	1.0942	1.2338	0.078*
H73B	0.5257	1.0887	1.1515	0.078*
H73C	0.5598	1.1755	1.1836	0.078*
C74	0.6878 (2)	1.1033 (3)	1.2285 (2)	0.0609 (10)
H74A	0.6714	1.0839	1.2748	0.073*
H74B	0.6930	1.1666	1.2286	0.073*
H74C	0.7336	1.0763	1.2183	0.073*
C75	0.58028 (13)	0.73079 (17)	0.62228 (12)	0.0223 (5)
C76	0.60962 (14)	0.65535 (18)	0.58999 (13)	0.0265 (5)
C77	0.56599 (15)	0.5876 (2)	0.56175 (16)	0.0352 (6)
H77	0.5863	0.5373	0.5412	0.042*
C78	0.49210 (15)	0.59790 (19)	0.56529 (15)	0.0351 (6)
H78	0.4626	0.5537	0.5462	0.042*
C79	0.45997 (15)	0.67152 (19)	0.59612 (15)	0.0330 (6)
H79	0.4099	0.6768	0.5977	0.040*
C80	0.50500 (13)	0.73811 (17)	0.62493 (13)	0.0241 (5)
C81	0.71811 (15)	0.57283 (18)	0.56808 (15)	0.0306 (6)
H81A	0.7057	0.5576	0.5188	0.037*
H81B	0.7045	0.5241	0.5992	0.037*
C82	0.79772 (14)	0.59273 (18)	0.57537 (14)	0.0316 (5)
H82	0.8097	0.6464	0.5483	0.038*
C83	0.82375 (16)	0.6015 (2)	0.65288 (15)	0.0380 (6)
H83A	0.8622	0.6450	0.6571	0.046*
H83B	0.7845	0.6181	0.6844	0.046*
C84	0.88143 (16)	0.4830 (2)	0.60483 (16)	0.0349 (6)
C85	0.95815 (16)	0.5139 (3)	0.59708 (18)	0.0497 (8)
H85A	0.9776	0.4912	0.5530	0.060*
H85B	0.9865	0.4927	0.6370	0.060*
H85C	0.9594	0.5775	0.5962	0.060*
C86	0.8731 (2)	0.3832 (2)	0.6031 (2)	0.0535 (9)
H86A	0.8941	0.3604	0.5598	0.064*
H86B	0.8227	0.3682	0.6041	0.064*
H86C	0.8971	0.3578	0.6442	0.064*
C87	0.40431 (14)	0.82652 (19)	0.65648 (15)	0.0314 (6)
H87A	0.3792	0.7808	0.6832	0.038*
H87B	0.3869	0.8258	0.6071	0.038*
C88	0.39150 (13)	0.91597 (18)	0.68989 (14)	0.0328 (6)
H88	0.4129	0.9193	0.7382	0.039*
C89	0.41659 (16)	0.9933 (2)	0.64310 (18)	0.0405 (7)
H89A	0.4387	1.0394	0.6723	0.049*
H89B	0.4510	0.9736	0.6074	0.049*
C90	0.29628 (15)	1.00936 (18)	0.66027 (14)	0.0326 (6)
C91	0.29431 (18)	1.0800 (2)	0.71827 (16)	0.0461 (7)
H91A	0.2558	1.0674	0.7510	0.055*
H91B	0.2864	1.1369	0.6965	0.055*
H91C	0.3395	1.0805	0.7440	0.055*
C92	0.22475 (16)	1.0017 (2)	0.62220 (15)	0.0417 (7)
H92A	0.1874	0.9919	0.6568	0.050*
H92B	0.2261	0.9528	0.5891	0.050*
H92C	0.2150	1.0555	0.5962	0.050*
C93	0.83983 (13)	0.87185 (15)	0.70733 (11)	0.0202 (5)
C94	0.96926 (14)	0.8555 (2)	0.65743 (14)	0.0324 (6)
H94	1.0029	0.8347	0.6948	0.039*
C95	0.97579 (13)	0.79524 (19)	0.59258 (13)	0.0302 (5)
C96	1.04274 (15)	0.7584 (2)	0.57695 (15)	0.0391 (7)
H96	1.0817	0.7687	0.6078	0.047*
C97	1.05212 (16)	0.7066 (2)	0.51595 (15)	0.0434 (7)
H97	1.0972	0.6823	0.5062	0.052*
C98	0.99486 (16)	0.6913 (2)	0.46995 (15)	0.0373 (6)
H98	1.0014	0.6576	0.4286	0.045*
C99	0.92757 (15)	0.72583 (19)	0.48536 (14)	0.0338 (6)
H99	0.8885	0.7143	0.4549	0.041*
C100	0.91815 (14)	0.77820 (19)	0.54669 (14)	0.0312 (5)
H100	0.8729	0.8017	0.5567	0.037*
C101	0.98705 (19)	0.9512 (2)	0.6402 (2)	0.0522 (9)
H10A	0.9822	0.9866	0.6829	0.063*
H10B	0.9545	0.9726	0.6037	0.063*
H10C	1.0358	0.9550	0.6232	0.063*
C102	0.66865 (14)	1.00265 (17)	0.78342 (13)	0.0241 (5)
C103	0.55441 (15)	1.07346 (19)	0.83821 (15)	0.0353 (6)
H103	0.5267	1.1061	0.8017	0.042*
C104	0.50877 (15)	0.9956 (2)	0.86348 (15)	0.0335 (6)
C105	0.53375 (16)	0.9098 (2)	0.86944 (16)	0.0383 (7)
H105	0.5812	0.8970	0.8571	0.046*
C106	0.48923 (18)	0.8422 (2)	0.89358 (19)	0.0490 (8)
H106	0.5070	0.7847	0.8975	0.059*
C107	0.41818 (18)	0.8601 (2)	0.91188 (19)	0.0513 (8)
H107	0.3883	0.8148	0.9279	0.062*
C108	0.39232 (17)	0.9450 (3)	0.9062 (2)	0.0559 (9)
H108	0.3447	0.9572	0.9183	0.067*
C109	0.43711 (17)	1.0132 (2)	0.88250 (19)	0.0473 (8)
H109	0.4193	1.0708	0.8793	0.057*
C110	0.57418 (19)	1.1377 (2)	0.89899 (19)	0.0501 (8)
H11A	0.6029	1.1852	0.8801	0.060*
H11B	0.6012	1.1068	0.9355	0.060*
H11C	0.5308	1.1614	0.9195	0.060*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ru1	0.01537 (7)	0.01588 (7)	0.01646 (7)	−0.00036 (6)	−0.00208 (5)	−0.00057 (7)
O1	0.0313 (9)	0.0287 (9)	0.0200 (8)	0.0036 (7)	0.0018 (7)	−0.0025 (7)
O2	0.0332 (10)	0.0344 (10)	0.0325 (9)	−0.0033 (8)	0.0046 (8)	−0.0064 (8)
O3	0.0417 (11)	0.0411 (12)	0.0457 (11)	−0.0139 (9)	0.0183 (9)	−0.0199 (9)
O4	0.0311 (9)	0.0272 (9)	0.0231 (8)	0.0079 (7)	0.0014 (7)	0.0001 (7)
O5	0.0422 (12)	0.0671 (15)	0.0398 (11)	0.0058 (11)	0.0095 (9)	0.0042 (11)
O6	0.0340 (11)	0.0513 (14)	0.0881 (18)	0.0116 (10)	0.0162 (11)	0.0147 (13)
O7	0.0267 (9)	0.0286 (10)	0.0387 (10)	0.0017 (8)	−0.0004 (8)	−0.0070 (8)
O8	0.0385 (10)	0.0307 (10)	0.0391 (10)	0.0041 (8)	−0.0024 (8)	−0.0013 (8)
O9	0.0482 (12)	0.0296 (11)	0.0658 (14)	0.0078 (9)	−0.0116 (10)	−0.0116 (9)
O10	0.0242 (9)	0.0280 (9)	0.0294 (9)	0.0021 (7)	−0.0049 (7)	−0.0047 (7)
O11	0.0519 (12)	0.0371 (11)	0.0332 (10)	0.0070 (9)	−0.0003 (9)	−0.0058 (8)
O12	0.0411 (11)	0.0384 (11)	0.0393 (10)	0.0120 (9)	−0.0074 (8)	0.0009 (9)
O13	0.0341 (10)	0.0275 (10)	0.0299 (9)	0.0093 (8)	0.0007 (8)	0.0024 (8)
O14	0.0566 (13)	0.0395 (12)	0.0397 (11)	0.0105 (10)	0.0060 (10)	0.0083 (9)
O15	0.0508 (12)	0.0352 (11)	0.0417 (11)	0.0135 (9)	0.0116 (9)	0.0046 (9)
O16	0.0348 (10)	0.0336 (10)	0.0249 (8)	0.0075 (8)	0.0027 (7)	−0.0002 (7)
O17	0.0548 (13)	0.0387 (12)	0.0509 (13)	0.0056 (10)	0.0076 (10)	0.0047 (10)
O18	0.0892 (18)	0.0324 (12)	0.0338 (11)	−0.0029 (12)	0.0213 (11)	−0.0059 (9)
O19	0.0198 (9)	0.0281 (10)	0.0493 (12)	−0.0021 (7)	0.0011 (8)	−0.0147 (8)
O20	0.0425 (12)	0.0461 (13)	0.0376 (11)	−0.0001 (10)	−0.0064 (9)	0.0024 (9)
O21	0.0416 (11)	0.0471 (12)	0.0350 (10)	0.0196 (9)	−0.0097 (8)	−0.0109 (9)
O22	0.0163 (8)	0.0350 (10)	0.0444 (10)	0.0006 (7)	−0.0026 (7)	−0.0088 (8)
O23	0.0450 (11)	0.0380 (11)	0.0340 (10)	0.0057 (9)	0.0112 (8)	0.0056 (8)
O24	0.0264 (8)	0.0392 (10)	0.0422 (9)	0.0091 (9)	0.0078 (7)	0.0089 (10)
N1	0.0148 (7)	0.0175 (8)	0.0166 (7)	−0.0010 (11)	−0.0033 (6)	−0.0008 (10)
N2	0.0161 (9)	0.0209 (10)	0.0164 (8)	0.0005 (8)	0.0000 (7)	−0.0006 (7)
N3	0.0177 (8)	0.0172 (8)	0.0171 (7)	0.0000 (11)	−0.0006 (6)	−0.0007 (10)
N4	0.0168 (9)	0.0174 (10)	0.0205 (9)	0.0003 (8)	−0.0021 (7)	0.0003 (7)
N5	0.0274 (11)	0.0360 (12)	0.0245 (10)	0.0067 (9)	0.0017 (8)	0.0001 (9)
N6	0.0265 (11)	0.0322 (12)	0.0325 (11)	0.0087 (9)	0.0025 (9)	−0.0015 (9)
C1	0.0149 (10)	0.0200 (11)	0.0214 (10)	0.0007 (9)	−0.0026 (8)	−0.0029 (8)
C2	0.0212 (12)	0.0298 (12)	0.0215 (11)	−0.0042 (10)	−0.0048 (9)	0.0000 (9)
C3	0.0260 (12)	0.0278 (12)	0.0187 (11)	0.0008 (10)	−0.0078 (10)	0.0026 (9)
C4	0.0164 (10)	0.0210 (11)	0.0183 (10)	0.0018 (9)	−0.0019 (8)	0.0008 (8)
C5	0.0175 (10)	0.0203 (11)	0.0172 (10)	0.0009 (9)	0.0007 (8)	−0.0007 (8)
C6	0.0204 (11)	0.0190 (11)	0.0177 (10)	0.0004 (9)	0.0005 (8)	0.0003 (8)
C7	0.0249 (12)	0.0187 (11)	0.0209 (10)	−0.0057 (9)	0.0012 (9)	0.0011 (9)
C8	0.0223 (11)	0.0204 (12)	0.0215 (10)	−0.0031 (9)	−0.0010 (9)	0.0009 (9)
C9	0.0182 (11)	0.0198 (11)	0.0203 (10)	−0.0008 (9)	−0.0003 (8)	−0.0022 (9)
C10	0.0205 (11)	0.0185 (11)	0.0202 (10)	−0.0011 (9)	−0.0032 (8)	−0.0037 (8)
C11	0.0195 (11)	0.0233 (12)	0.0170 (10)	−0.0021 (9)	−0.0025 (8)	−0.0024 (9)
C12	0.0258 (12)	0.0230 (12)	0.0178 (10)	−0.0032 (10)	−0.0051 (9)	0.0000 (9)
C13	0.0259 (12)	0.0246 (11)	0.0159 (10)	−0.0001 (10)	−0.0034 (9)	0.0017 (8)
C14	0.0189 (11)	0.0207 (11)	0.0169 (10)	0.0015 (9)	−0.0009 (8)	−0.0004 (8)
C15	0.0210 (11)	0.0195 (11)	0.0209 (10)	0.0036 (9)	0.0006 (9)	0.0019 (9)
C16	0.0175 (10)	0.0173 (11)	0.0196 (10)	−0.0001 (9)	0.0007 (8)	0.0007 (8)
C17	0.0237 (12)	0.0207 (12)	0.0259 (11)	−0.0010 (10)	−0.0015 (9)	0.0044 (9)
C18	0.0222 (12)	0.0202 (12)	0.0262 (11)	−0.0041 (9)	−0.0014 (9)	−0.0023 (9)
C19	0.0189 (11)	0.0175 (11)	0.0224 (10)	0.0001 (9)	−0.0018 (8)	−0.0023 (8)
C20	0.0162 (10)	0.0206 (11)	0.0225 (10)	−0.0003 (9)	−0.0004 (8)	−0.0018 (9)
C21	0.0195 (11)	0.0238 (12)	0.0180 (10)	−0.0023 (9)	−0.0017 (8)	0.0045 (9)
C22	0.0199 (11)	0.0263 (12)	0.0219 (10)	−0.0014 (9)	−0.0031 (8)	0.0011 (9)
C23	0.0241 (12)	0.0400 (15)	0.0173 (10)	−0.0032 (11)	−0.0002 (9)	0.0035 (10)
C24	0.0233 (12)	0.0352 (14)	0.0264 (12)	−0.0002 (10)	−0.0023 (9)	0.0107 (10)
C25	0.0295 (12)	0.0249 (12)	0.0302 (12)	0.0046 (10)	−0.0026 (10)	0.0065 (10)
C26	0.0215 (11)	0.0255 (12)	0.0218 (10)	0.0008 (9)	0.0000 (9)	0.0026 (9)
C27	0.0301 (13)	0.0357 (15)	0.0251 (12)	0.0017 (11)	0.0049 (10)	−0.0041 (11)
C28	0.0276 (13)	0.0311 (14)	0.0300 (12)	−0.0013 (10)	0.0049 (10)	−0.0056 (10)
C29	0.0297 (13)	0.0327 (14)	0.0383 (14)	0.0001 (11)	0.0053 (11)	−0.0050 (11)
C30	0.0375 (14)	0.0333 (14)	0.0306 (13)	−0.0059 (12)	0.0021 (11)	−0.0071 (11)
C31	0.059 (2)	0.055 (2)	0.0394 (16)	−0.0081 (17)	−0.0052 (14)	0.0074 (15)
C32	0.0493 (17)	0.0371 (16)	0.0407 (15)	−0.0014 (13)	0.0103 (13)	−0.0079 (13)
C33	0.0338 (13)	0.0259 (12)	0.0327 (13)	0.0049 (11)	0.0041 (11)	−0.0042 (10)
C34	0.0280 (13)	0.0410 (16)	0.0436 (16)	0.0035 (12)	0.0051 (12)	−0.0011 (13)
C35	0.0456 (18)	0.0463 (19)	0.066 (2)	−0.0066 (15)	0.0190 (16)	−0.0046 (16)
C36	0.0425 (18)	0.073 (2)	0.0534 (19)	0.0156 (17)	0.0201 (15)	0.0119 (18)
C37	0.228 (8)	0.106 (5)	0.122 (5)	0.072 (6)	0.088 (5)	−0.018 (4)
C38	0.039 (2)	0.131 (5)	0.119 (4)	−0.006 (2)	−0.004 (2)	0.072 (4)
C39	0.0241 (12)	0.0208 (12)	0.0172 (10)	−0.0054 (9)	−0.0026 (9)	0.0015 (9)
C40	0.0266 (12)	0.0243 (12)	0.0237 (11)	−0.0023 (10)	−0.0038 (9)	0.0002 (9)
C41	0.0353 (14)	0.0258 (13)	0.0262 (12)	−0.0040 (11)	−0.0041 (10)	−0.0077 (10)
C42	0.0348 (14)	0.0268 (13)	0.0278 (12)	−0.0106 (11)	−0.0094 (10)	−0.0011 (10)
C43	0.0249 (12)	0.0281 (13)	0.0242 (11)	−0.0065 (10)	−0.0066 (9)	0.0039 (10)
C44	0.0217 (11)	0.0216 (11)	0.0191 (10)	−0.0028 (9)	−0.0031 (8)	0.0029 (9)
C45	0.0327 (14)	0.0325 (15)	0.0369 (14)	0.0042 (12)	−0.0012 (11)	−0.0122 (12)
C46	0.0346 (14)	0.0276 (13)	0.0450 (15)	0.0012 (11)	0.0018 (12)	−0.0052 (11)
C47	0.0417 (15)	0.0334 (15)	0.0395 (15)	0.0089 (12)	−0.0011 (12)	−0.0035 (12)
C48	0.0352 (14)	0.0303 (14)	0.0456 (15)	0.0058 (11)	−0.0001 (12)	−0.0029 (11)
C49	0.0547 (18)	0.0522 (18)	0.0580 (17)	0.007 (2)	0.0140 (15)	−0.005 (2)
C50	0.062 (2)	0.0365 (16)	0.0542 (19)	0.0113 (15)	0.0124 (16)	0.0046 (14)
C51	0.0223 (12)	0.0324 (14)	0.0354 (13)	0.0012 (11)	0.0010 (10)	−0.0023 (11)
C52	0.0339 (12)	0.0315 (12)	0.0263 (10)	0.0076 (13)	0.0002 (9)	0.0005 (13)
C53	0.0407 (15)	0.0308 (14)	0.0371 (14)	−0.0026 (12)	0.0052 (12)	−0.0011 (11)
C54	0.0574 (18)	0.0344 (15)	0.0314 (14)	0.0113 (14)	0.0085 (13)	0.0028 (11)
C55	0.067 (2)	0.055 (2)	0.058 (2)	0.0202 (18)	0.0272 (18)	0.0118 (17)
C56	0.077 (2)	0.0366 (16)	0.0416 (16)	0.0184 (16)	0.0076 (16)	0.0077 (13)
C57	0.0244 (12)	0.0208 (11)	0.0212 (10)	−0.0047 (9)	−0.0039 (9)	0.0011 (9)
C58	0.0254 (12)	0.0254 (12)	0.0238 (11)	−0.0027 (9)	−0.0030 (9)	0.0028 (9)
C59	0.0317 (13)	0.0255 (13)	0.0323 (13)	−0.0034 (10)	−0.0081 (10)	0.0073 (10)
C60	0.0337 (14)	0.0401 (15)	0.0240 (12)	−0.0110 (12)	−0.0017 (10)	0.0106 (11)
C61	0.0343 (14)	0.0388 (15)	0.0225 (11)	−0.0056 (12)	0.0021 (10)	0.0043 (11)
C62	0.0240 (11)	0.0303 (13)	0.0211 (11)	−0.0027 (10)	−0.0008 (9)	0.0019 (9)
C63	0.0397 (15)	0.0238 (13)	0.0415 (15)	0.0064 (11)	−0.0054 (12)	−0.0002 (11)
C64	0.0371 (15)	0.0305 (14)	0.0420 (15)	0.0037 (12)	−0.0049 (12)	−0.0060 (12)
C65	0.0450 (16)	0.0384 (16)	0.0406 (15)	0.0068 (13)	−0.0016 (13)	0.0030 (12)
C66	0.0375 (15)	0.0408 (15)	0.0281 (13)	0.0058 (12)	0.0016 (11)	0.0066 (11)
C67	0.0458 (17)	0.0492 (18)	0.0374 (15)	0.0079 (14)	0.0032 (13)	−0.0014 (12)
C68	0.0492 (18)	0.0528 (19)	0.0487 (18)	−0.0014 (15)	−0.0107 (15)	0.0075 (15)
C69	0.0352 (14)	0.0402 (16)	0.0336 (13)	0.0064 (11)	0.0062 (11)	−0.0028 (11)
C70	0.0471 (16)	0.044 (2)	0.0283 (12)	0.0040 (13)	0.0046 (11)	−0.0048 (12)
C71	0.0455 (17)	0.0412 (17)	0.0483 (17)	−0.0015 (14)	0.0104 (14)	−0.0015 (14)
C72	0.0437 (16)	0.0342 (15)	0.0414 (15)	0.0009 (13)	0.0032 (13)	−0.0037 (12)
C73	0.0449 (19)	0.075 (3)	0.074 (3)	0.0161 (18)	0.0067 (17)	−0.001 (2)
C74	0.052 (2)	0.073 (3)	0.058 (2)	−0.0031 (19)	−0.0014 (17)	−0.0157 (19)
C75	0.0215 (12)	0.0254 (13)	0.0200 (10)	−0.0018 (10)	−0.0046 (9)	0.0031 (9)
C76	0.0265 (12)	0.0260 (13)	0.0270 (12)	−0.0020 (10)	−0.0012 (10)	−0.0050 (10)
C77	0.0310 (14)	0.0313 (15)	0.0434 (15)	−0.0026 (11)	−0.0030 (12)	−0.0127 (12)
C78	0.0330 (14)	0.0290 (14)	0.0432 (15)	−0.0090 (11)	−0.0076 (12)	−0.0093 (12)
C79	0.0224 (13)	0.0363 (15)	0.0400 (14)	−0.0058 (11)	−0.0066 (11)	−0.0043 (12)
C80	0.0225 (12)	0.0239 (12)	0.0259 (11)	−0.0018 (10)	−0.0045 (9)	−0.0024 (9)
C81	0.0342 (14)	0.0255 (13)	0.0322 (13)	0.0050 (11)	0.0002 (11)	−0.0064 (10)
C82	0.0309 (13)	0.0314 (13)	0.0324 (13)	0.0060 (11)	−0.0007 (10)	−0.0029 (11)
C83	0.0366 (15)	0.0412 (16)	0.0363 (14)	−0.0012 (12)	−0.0031 (12)	−0.0080 (12)
C84	0.0329 (14)	0.0352 (16)	0.0366 (15)	0.0059 (12)	−0.0039 (12)	0.0017 (12)
C85	0.0354 (15)	0.063 (2)	0.0505 (18)	0.0017 (15)	−0.0027 (13)	0.0239 (16)
C86	0.057 (2)	0.0386 (18)	0.064 (2)	0.0058 (16)	−0.0085 (18)	−0.0019 (17)
C87	0.0201 (12)	0.0341 (15)	0.0399 (14)	0.0012 (11)	−0.0004 (10)	0.0003 (12)
C88	0.0254 (12)	0.0391 (17)	0.0341 (12)	0.0032 (10)	0.0027 (10)	−0.0009 (11)
C89	0.0367 (15)	0.0336 (15)	0.0513 (17)	0.0009 (12)	0.0108 (13)	0.0032 (13)
C90	0.0379 (14)	0.0333 (14)	0.0265 (12)	0.0097 (11)	0.0030 (10)	0.0023 (10)
C91	0.0482 (18)	0.052 (2)	0.0382 (15)	0.0088 (15)	−0.0015 (13)	−0.0095 (14)
C92	0.0432 (16)	0.0509 (18)	0.0311 (13)	0.0128 (14)	−0.0004 (12)	−0.0020 (12)
C93	0.0263 (12)	0.0190 (11)	0.0152 (10)	0.0030 (9)	−0.0035 (9)	−0.0014 (8)
C94	0.0219 (12)	0.0463 (17)	0.0291 (12)	0.0049 (11)	0.0027 (10)	−0.0023 (11)
C95	0.0267 (12)	0.0390 (15)	0.0250 (11)	0.0041 (11)	0.0034 (10)	0.0037 (10)
C96	0.0273 (13)	0.0589 (19)	0.0311 (13)	0.0134 (13)	0.0010 (11)	0.0015 (13)
C97	0.0346 (15)	0.059 (2)	0.0365 (14)	0.0227 (14)	0.0087 (12)	0.0039 (14)
C98	0.0426 (16)	0.0402 (16)	0.0293 (12)	0.0117 (13)	0.0069 (11)	0.0006 (11)
C99	0.0341 (14)	0.0376 (15)	0.0298 (12)	0.0042 (12)	0.0029 (11)	0.0006 (11)
C100	0.0252 (12)	0.0383 (14)	0.0301 (12)	0.0056 (11)	0.0038 (10)	0.0033 (11)
C101	0.0437 (17)	0.055 (3)	0.0577 (19)	−0.0137 (15)	0.0121 (15)	−0.0146 (16)
C102	0.0283 (13)	0.0219 (12)	0.0220 (11)	−0.0036 (10)	−0.0035 (10)	−0.0001 (9)
C103	0.0298 (13)	0.0369 (15)	0.0394 (14)	0.0138 (11)	0.0079 (11)	−0.0014 (12)
C104	0.0306 (14)	0.0393 (16)	0.0307 (13)	0.0092 (12)	0.0028 (11)	−0.0020 (11)
C105	0.0331 (14)	0.0381 (18)	0.0439 (15)	0.0090 (12)	0.0070 (12)	−0.0024 (12)
C106	0.0422 (17)	0.0408 (17)	0.064 (2)	0.0049 (14)	0.0127 (15)	0.0007 (15)
C107	0.0414 (17)	0.053 (2)	0.060 (2)	−0.0055 (15)	0.0143 (15)	0.0018 (16)
C108	0.0377 (16)	0.061 (2)	0.069 (2)	0.0084 (16)	0.0214 (15)	0.0030 (19)
C109	0.0354 (16)	0.0472 (18)	0.060 (2)	0.0114 (14)	0.0144 (14)	−0.0022 (15)
C110	0.056 (2)	0.0392 (17)	0.0551 (19)	0.0015 (15)	0.0212 (16)	−0.0136 (14)

Geometric parameters (Å, º)

Ru1—C102	1.998 (3)	C43—C44	1.392 (3)
Ru1—C93	2.006 (2)	C43—H43	0.9300
Ru1—N2	2.051 (2)	C45—C46	1.508 (4)
Ru1—N4	2.0522 (19)	C45—H45A	0.9700
Ru1—N1	2.0549 (15)	C45—H45B	0.9700
Ru1—N3	2.0581 (15)	C46—C47	1.534 (4)
O1—C22	1.363 (3)	C46—H46	0.9800
O1—C27	1.434 (3)	C47—H47A	0.9700
O2—C30	1.424 (3)	C47—H47B	0.9700
O2—C29	1.431 (3)	C48—C50	1.509 (4)
O3—C30	1.429 (3)	C48—C49	1.515 (4)
O3—C28	1.435 (3)	C49—H49A	0.9600
O4—C26	1.370 (3)	C49—H49B	0.9600
O4—C33	1.430 (3)	C49—H49C	0.9600
O5—C36	1.390 (4)	C50—H50A	0.9600
O5—C35	1.419 (4)	C50—H50B	0.9600
O6—C34	1.425 (4)	C50—H50C	0.9600
O6—C36	1.443 (4)	C51—C52	1.531 (4)
O7—C40	1.369 (3)	C51—H51A	0.9700
O7—C45	1.438 (3)	C51—H51B	0.9700
O8—C47	1.425 (3)	C52—C53	1.494 (4)
O8—C48	1.425 (3)	C52—H52	0.9800
O9—C48	1.429 (4)	C53—H53A	0.9700
O9—C46	1.436 (3)	C53—H53B	0.9700
O10—C44	1.377 (3)	C54—C55	1.502 (4)
O10—C51	1.426 (3)	C54—C56	1.538 (4)
O11—C53	1.427 (3)	C55—H55A	0.9600
O11—C54	1.427 (4)	C55—H55B	0.9600
O12—C52	1.435 (3)	C55—H55C	0.9600
O12—C54	1.441 (4)	C56—H56A	0.9600
O13—C58	1.359 (3)	C56—H56B	0.9600
O13—C63	1.444 (3)	C56—H56C	0.9600
O14—C66	1.429 (3)	C57—C58	1.389 (4)
O14—C65	1.439 (4)	C57—C62	1.404 (3)
O15—C66	1.425 (3)	C58—C59	1.404 (3)
O15—C64	1.441 (3)	C59—C60	1.376 (4)
O16—C62	1.375 (3)	C59—H59	0.9300
O16—C69	1.435 (3)	C60—C61	1.381 (4)
O17—C72	1.427 (4)	C60—H60	0.9300
O17—C71	1.434 (4)	C61—C62	1.396 (3)
O18—C72	1.418 (4)	C61—H61	0.9300
O18—C70	1.431 (3)	C63—C64	1.490 (4)
O19—C76	1.364 (3)	C63—H63A	0.9700
O19—C81	1.420 (3)	C63—H63B	0.9700
O20—C84	1.415 (4)	C64—C65	1.505 (4)
O20—C83	1.430 (4)	C64—H64	0.9800
O21—C82	1.426 (3)	C65—H65A	0.9700
O21—C84	1.435 (3)	C65—H65B	0.9700
O22—C80	1.357 (3)	C66—C68	1.510 (4)
O22—C87	1.431 (3)	C66—C67	1.512 (4)
O23—C90	1.413 (3)	C67—H67A	0.9600
O23—C89	1.426 (4)	C67—H67B	0.9600
O24—C90	1.426 (3)	C67—H67C	0.9600
O24—C88	1.440 (3)	C68—H68A	0.9600
N1—C1	1.377 (3)	C68—H68B	0.9600
N1—C4	1.380 (3)	C68—H68C	0.9600
N2—C6	1.368 (3)	C69—C70	1.509 (4)
N2—C9	1.377 (3)	C69—H69A	0.9700
N3—C14	1.364 (3)	C69—H69B	0.9700
N3—C11	1.372 (3)	C70—C71	1.536 (4)
N4—C16	1.373 (3)	C70—H70	0.9800
N4—C19	1.375 (3)	C71—H71A	0.9700
N5—C93	1.163 (3)	C71—H71B	0.9700
N5—C94	1.451 (3)	C72—C73	1.502 (5)
N6—C102	1.157 (3)	C72—C74	1.507 (5)
N6—C103	1.440 (3)	C73—H73A	0.9600
C1—C20	1.393 (3)	C73—H73B	0.9600
C1—C2	1.452 (3)	C73—H73C	0.9600
C2—C3	1.354 (4)	C74—H74A	0.9600
C2—H2	0.9300	C74—H74B	0.9600
C3—C4	1.448 (3)	C74—H74C	0.9600
C3—H3	0.9300	C75—C76	1.398 (4)
C4—C5	1.402 (3)	C75—C80	1.399 (3)
C5—C6	1.402 (3)	C76—C77	1.401 (4)
C5—C21	1.507 (3)	C77—C78	1.378 (4)
C6—C7	1.454 (3)	C77—H77	0.9300
C7—C8	1.349 (3)	C78—C79	1.386 (4)
C7—H7	0.9300	C78—H78	0.9300
C8—C9	1.446 (3)	C79—C80	1.408 (4)
C8—H8	0.9300	C79—H79	0.9300
C9—C10	1.397 (3)	C81—C82	1.509 (4)
C10—C11	1.403 (3)	C81—H81A	0.9700
C10—C39	1.504 (3)	C81—H81B	0.9700
C11—C12	1.442 (3)	C82—C83	1.520 (4)
C12—C13	1.349 (3)	C82—H82	0.9800
C12—H12	0.9300	C83—H83A	0.9700
C13—C14	1.448 (3)	C83—H83B	0.9700
C13—H13	0.9300	C84—C85	1.502 (4)
C14—C15	1.398 (3)	C84—C86	1.514 (4)
C15—C16	1.400 (3)	C85—H85A	0.9600
C15—C57	1.499 (3)	C85—H85B	0.9600
C16—C17	1.438 (3)	C85—H85C	0.9600
C17—C18	1.351 (3)	C86—H86A	0.9600
C17—H17	0.9300	C86—H86B	0.9600
C18—C19	1.438 (3)	C86—H86C	0.9600
C18—H18	0.9300	C87—C88	1.505 (4)
C19—C20	1.399 (3)	C87—H87A	0.9700
C20—C75	1.500 (3)	C87—H87B	0.9700
C21—C26	1.398 (3)	C88—C89	1.530 (4)
C21—C22	1.402 (3)	C88—H88	0.9800
C22—C23	1.399 (3)	C89—H89A	0.9700
C23—C24	1.374 (4)	C89—H89B	0.9700
C23—H23	0.9300	C90—C92	1.500 (4)
C24—C25	1.383 (4)	C90—C91	1.516 (4)
C24—H24	0.9300	C91—H91A	0.9600
C25—C26	1.402 (3)	C91—H91B	0.9600
C25—H25	0.9300	C91—H91C	0.9600
C27—C28	1.499 (4)	C92—H92A	0.9600
C27—H27A	0.9700	C92—H92B	0.9600
C27—H27B	0.9700	C92—H92C	0.9600
C28—C29	1.521 (4)	C94—C101	1.516 (5)
C28—H28	0.9800	C94—C95	1.515 (4)
C29—H29A	0.9700	C94—H94	0.9800
C29—H29B	0.9700	C95—C100	1.384 (4)
C30—C32	1.516 (4)	C95—C96	1.391 (4)
C30—C31	1.519 (4)	C96—C97	1.389 (4)
C31—H31A	0.9600	C96—H96	0.9300
C31—H31B	0.9600	C97—C98	1.375 (4)
C31—H31C	0.9600	C97—H97	0.9300
C32—H32A	0.9600	C98—C99	1.383 (4)
C32—H32B	0.9600	C98—H98	0.9300
C32—H32C	0.9600	C99—C100	1.398 (4)
C33—C34	1.518 (4)	C99—H99	0.9300
C33—H33A	0.9700	C100—H100	0.9300
C33—H33B	0.9700	C101—H10A	0.9600
C34—C35	1.512 (5)	C101—H10B	0.9600
C34—H34	0.9800	C101—H10C	0.9600
C35—H35A	0.9700	C103—C104	1.523 (4)
C35—H35B	0.9700	C103—C110	1.530 (4)
C36—C37	1.492 (7)	C103—H103	0.9800
C36—C38	1.526 (6)	C104—C105	1.379 (4)
C37—H37A	0.9600	C104—C109	1.401 (4)
C37—H37B	0.9600	C105—C106	1.388 (4)
C37—H37C	0.9600	C105—H105	0.9300
C38—H38A	0.9600	C106—C107	1.388 (5)
C38—H38B	0.9600	C106—H106	0.9300
C38—H38C	0.9600	C107—C108	1.370 (5)
C39—C40	1.395 (3)	C107—H107	0.9300
C39—C44	1.401 (3)	C108—C109	1.395 (5)
C40—C41	1.405 (3)	C108—H108	0.9300
C41—C42	1.385 (4)	C109—H109	0.9300
C41—H41	0.9300	C110—H11A	0.9600
C42—C43	1.376 (4)	C110—H11B	0.9600
C42—H42	0.9300	C110—H11C	0.9600
C102—Ru1—C93	175.02 (11)	C51—C52—H52	110.8
C102—Ru1—N2	91.39 (9)	O11—C53—C52	102.2 (2)
C93—Ru1—N2	83.69 (9)	O11—C53—H53A	111.3
C102—Ru1—N4	88.98 (9)	C52—C53—H53A	111.3
C93—Ru1—N4	95.95 (9)	O11—C53—H53B	111.3
N2—Ru1—N4	179.62 (9)	C52—C53—H53B	111.3
C102—Ru1—N1	88.81 (9)	H53A—C53—H53B	109.2
C93—Ru1—N1	91.90 (8)	O11—C54—O12	105.8 (2)
N2—Ru1—N1	90.17 (8)	O11—C54—C55	108.5 (3)
N4—Ru1—N1	89.76 (8)	O12—C54—C55	111.4 (3)
C102—Ru1—N3	90.59 (9)	O11—C54—C56	109.5 (3)
C93—Ru1—N3	88.73 (8)	O12—C54—C56	109.1 (2)
N2—Ru1—N3	90.21 (8)	C55—C54—C56	112.2 (3)
N4—Ru1—N3	89.86 (8)	C54—C55—H55A	109.5
N1—Ru1—N3	179.29 (7)	C54—C55—H55B	109.5
C22—O1—C27	116.84 (19)	H55A—C55—H55B	109.5
C30—O2—C29	106.3 (2)	C54—C55—H55C	109.5
C30—O3—C28	109.5 (2)	H55A—C55—H55C	109.5
C26—O4—C33	118.55 (19)	H55B—C55—H55C	109.5
C36—O5—C35	106.5 (3)	C54—C56—H56A	109.5
C34—O6—C36	107.8 (2)	C54—C56—H56B	109.5
C40—O7—C45	118.9 (2)	H56A—C56—H56B	109.5
C47—O8—C48	105.2 (2)	C54—C56—H56C	109.5
C48—O9—C46	108.9 (2)	H56A—C56—H56C	109.5
C44—O10—C51	119.17 (19)	H56B—C56—H56C	109.5
C53—O11—C54	106.9 (2)	C58—C57—C62	119.1 (2)
C52—O12—C54	107.9 (2)	C58—C57—C15	121.7 (2)
C58—O13—C63	116.0 (2)	C62—C57—C15	119.2 (2)
C66—O14—C65	107.6 (2)	O13—C58—C57	115.3 (2)
C66—O15—C64	106.3 (2)	O13—C58—C59	124.3 (2)
C62—O16—C69	118.76 (19)	C57—C58—C59	120.4 (2)
C72—O17—C71	106.3 (2)	C60—C59—C58	118.8 (2)
C72—O18—C70	110.2 (2)	C60—C59—H59	120.6
C76—O19—C81	119.2 (2)	C58—C59—H59	120.6
C84—O20—C83	105.7 (2)	C59—C60—C61	122.6 (2)
C82—O21—C84	109.0 (2)	C59—C60—H60	118.7
C80—O22—C87	116.4 (2)	C61—C60—H60	118.7
C90—O23—C89	105.8 (2)	C60—C61—C62	118.2 (2)
C90—O24—C88	108.0 (2)	C60—C61—H61	120.9
C1—N1—C4	107.26 (17)	C62—C61—H61	120.9
C1—N1—Ru1	126.32 (16)	O16—C62—C61	124.2 (2)
C4—N1—Ru1	126.27 (16)	O16—C62—C57	114.9 (2)
C6—N2—C9	107.54 (19)	C61—C62—C57	120.9 (2)
C6—N2—Ru1	126.23 (15)	O13—C63—C64	106.8 (2)
C9—N2—Ru1	126.16 (15)	O13—C63—H63A	110.4
C14—N3—C11	107.50 (17)	C64—C63—H63A	110.4
C14—N3—Ru1	126.30 (16)	O13—C63—H63B	110.4
C11—N3—Ru1	126.15 (16)	C64—C63—H63B	110.4
C16—N4—C19	106.83 (19)	H63A—C63—H63B	108.6
C16—N4—Ru1	126.41 (15)	O15—C64—C63	105.0 (2)
C19—N4—Ru1	126.70 (15)	O15—C64—C65	101.5 (2)
C93—N5—C94	163.9 (3)	C63—C64—C65	117.9 (2)
C102—N6—C103	169.3 (3)	O15—C64—H64	110.6
N1—C1—C20	125.7 (2)	C63—C64—H64	110.6
N1—C1—C2	109.1 (2)	C65—C64—H64	110.6
C20—C1—C2	125.2 (2)	O14—C65—C64	102.6 (2)
C3—C2—C1	107.1 (2)	O14—C65—H65A	111.2
C3—C2—H2	126.4	C64—C65—H65A	111.2
C1—C2—H2	126.4	O14—C65—H65B	111.2
C2—C3—C4	107.6 (2)	C64—C65—H65B	111.2
C2—C3—H3	126.2	H65A—C65—H65B	109.2
C4—C3—H3	126.2	O15—C66—O14	107.0 (2)
N1—C4—C5	125.2 (2)	O15—C66—C68	108.4 (2)
N1—C4—C3	108.9 (2)	O14—C66—C68	109.1 (3)
C5—C4—C3	125.9 (2)	O15—C66—C67	109.1 (2)
C6—C5—C4	125.9 (2)	O14—C66—C67	110.2 (2)
C6—C5—C21	116.7 (2)	C68—C66—C67	112.9 (3)
C4—C5—C21	117.29 (19)	C66—C67—H67A	109.5
N2—C6—C5	125.9 (2)	C66—C67—H67B	109.5
N2—C6—C7	108.88 (19)	H67A—C67—H67B	109.5
C5—C6—C7	125.2 (2)	C66—C67—H67C	109.5
C8—C7—C6	107.2 (2)	H67A—C67—H67C	109.5
C8—C7—H7	126.4	H67B—C67—H67C	109.5
C6—C7—H7	126.4	C66—C68—H68A	109.5
C7—C8—C9	107.5 (2)	C66—C68—H68B	109.5
C7—C8—H8	126.3	H68A—C68—H68B	109.5
C9—C8—H8	126.3	C66—C68—H68C	109.5
N2—C9—C10	125.7 (2)	H68A—C68—H68C	109.5
N2—C9—C8	108.86 (19)	H68B—C68—H68C	109.5
C10—C9—C8	125.4 (2)	O16—C69—C70	110.1 (2)
C9—C10—C11	126.0 (2)	O16—C69—H69A	109.6
C9—C10—C39	117.2 (2)	C70—C69—H69A	109.6
C11—C10—C39	116.66 (19)	O16—C69—H69B	109.6
N3—C11—C10	125.6 (2)	C70—C69—H69B	109.6
N3—C11—C12	109.0 (2)	H69A—C69—H69B	108.2
C10—C11—C12	125.4 (2)	O18—C70—C69	108.2 (2)
C13—C12—C11	107.3 (2)	O18—C70—C71	103.6 (2)
C13—C12—H12	126.3	C69—C70—C71	113.9 (3)
C11—C12—H12	126.3	O18—C70—H70	110.3
C12—C13—C14	107.2 (2)	C69—C70—H70	110.3
C12—C13—H13	126.4	C71—C70—H70	110.3
C14—C13—H13	126.4	O17—C71—C70	102.6 (2)
N3—C14—C15	126.0 (2)	O17—C71—H71A	111.2
N3—C14—C13	109.0 (2)	C70—C71—H71A	111.2
C15—C14—C13	125.0 (2)	O17—C71—H71B	111.2
C14—C15—C16	125.8 (2)	C70—C71—H71B	111.2
C14—C15—C57	117.4 (2)	H71A—C71—H71B	109.2
C16—C15—C57	116.7 (2)	O18—C72—O17	105.3 (2)
N4—C16—C15	125.5 (2)	O18—C72—C73	108.7 (3)
N4—C16—C17	109.43 (19)	O17—C72—C73	109.3 (3)
C15—C16—C17	125.0 (2)	O18—C72—C74	108.8 (3)
C18—C17—C16	107.1 (2)	O17—C72—C74	111.9 (3)
C18—C17—H17	126.4	C73—C72—C74	112.5 (3)
C16—C17—H17	126.4	C72—C73—H73A	109.5
C17—C18—C19	107.5 (2)	C72—C73—H73B	109.5
C17—C18—H18	126.2	H73A—C73—H73B	109.5
C19—C18—H18	126.2	C72—C73—H73C	109.5
N4—C19—C20	125.4 (2)	H73A—C73—H73C	109.5
N4—C19—C18	109.10 (19)	H73B—C73—H73C	109.5
C20—C19—C18	125.4 (2)	C72—C74—H74A	109.5
C1—C20—C19	126.0 (2)	C72—C74—H74B	109.5
C1—C20—C75	118.9 (2)	H74A—C74—H74B	109.5
C19—C20—C75	115.1 (2)	C72—C74—H74C	109.5
C26—C21—C22	117.9 (2)	H74A—C74—H74C	109.5
C26—C21—C5	119.6 (2)	H74B—C74—H74C	109.5
C22—C21—C5	122.5 (2)	C76—C75—C80	118.0 (2)
O1—C22—C23	123.3 (2)	C76—C75—C20	119.4 (2)
O1—C22—C21	116.0 (2)	C80—C75—C20	122.2 (2)
C23—C22—C21	120.7 (2)	O19—C76—C75	115.0 (2)
C24—C23—C22	119.9 (2)	O19—C76—C77	123.0 (2)
C24—C23—H23	120.1	C75—C76—C77	121.9 (2)
C22—C23—H23	120.1	C78—C77—C76	118.0 (3)
C23—C24—C25	121.2 (2)	C78—C77—H77	121.0
C23—C24—H24	119.4	C76—C77—H77	121.0
C25—C24—H24	119.4	C77—C78—C79	122.6 (2)
C24—C25—C26	118.8 (2)	C77—C78—H78	118.7
C24—C25—H25	120.6	C79—C78—H78	118.7
C26—C25—H25	120.6	C78—C79—C80	118.3 (2)
O4—C26—C21	115.9 (2)	C78—C79—H79	120.9
O4—C26—C25	122.5 (2)	C80—C79—H79	120.9
C21—C26—C25	121.5 (2)	O22—C80—C75	114.6 (2)
O1—C27—C28	105.1 (2)	O22—C80—C79	124.2 (2)
O1—C27—H27A	110.7	C75—C80—C79	121.1 (2)
C28—C27—H27A	110.7	O19—C81—C82	104.7 (2)
O1—C27—H27B	110.7	O19—C81—H81A	110.8
C28—C27—H27B	110.7	C82—C81—H81A	110.8
H27A—C27—H27B	108.8	O19—C81—H81B	110.8
O3—C28—C27	108.5 (2)	C82—C81—H81B	110.8
O3—C28—C29	103.7 (2)	H81A—C81—H81B	108.9
C27—C28—C29	114.1 (2)	O21—C82—C81	108.4 (2)
O3—C28—H28	110.1	O21—C82—C83	104.2 (2)
C27—C28—H28	110.1	C81—C82—C83	113.8 (2)
C29—C28—H28	110.1	O21—C82—H82	110.1
O2—C29—C28	103.6 (2)	C81—C82—H82	110.1
O2—C29—H29A	111.0	C83—C82—H82	110.1
C28—C29—H29A	111.0	O20—C83—C82	102.7 (2)
O2—C29—H29B	111.0	O20—C83—H83A	111.2
C28—C29—H29B	111.0	C82—C83—H83A	111.2
H29A—C29—H29B	109.0	O20—C83—H83B	111.2
O2—C30—O3	106.1 (2)	C82—C83—H83B	111.2
O2—C30—C32	108.7 (2)	H83A—C83—H83B	109.1
O3—C30—C32	108.9 (2)	O20—C84—O21	104.6 (2)
O2—C30—C31	110.7 (2)	O20—C84—C85	112.3 (3)
O3—C30—C31	109.0 (3)	O21—C84—C85	110.3 (3)
C32—C30—C31	113.2 (2)	O20—C84—C86	107.8 (3)
C30—C31—H31A	109.5	O21—C84—C86	107.6 (3)
C30—C31—H31B	109.5	C85—C84—C86	113.7 (3)
H31A—C31—H31B	109.5	C84—C85—H85A	109.5
C30—C31—H31C	109.5	C84—C85—H85B	109.5
H31A—C31—H31C	109.5	H85A—C85—H85B	109.5
H31B—C31—H31C	109.5	C84—C85—H85C	109.5
C30—C32—H32A	109.5	H85A—C85—H85C	109.5
C30—C32—H32B	109.5	H85B—C85—H85C	109.5
H32A—C32—H32B	109.5	C84—C86—H86A	109.5
C30—C32—H32C	109.5	C84—C86—H86B	109.5
H32A—C32—H32C	109.5	H86A—C86—H86B	109.5
H32B—C32—H32C	109.5	C84—C86—H86C	109.5
O4—C33—C34	110.6 (2)	H86A—C86—H86C	109.5
O4—C33—H33A	109.5	H86B—C86—H86C	109.5
C34—C33—H33A	109.5	O22—C87—C88	106.6 (2)
O4—C33—H33B	109.5	O22—C87—H87A	110.4
C34—C33—H33B	109.5	C88—C87—H87A	110.4
H33A—C33—H33B	108.1	O22—C87—H87B	110.4
O6—C34—C35	104.4 (2)	C88—C87—H87B	110.4
O6—C34—C33	108.0 (2)	H87A—C87—H87B	108.6
C35—C34—C33	114.3 (3)	O24—C88—C87	105.7 (2)
O6—C34—H34	110.0	O24—C88—C89	104.1 (2)
C35—C34—H34	110.0	C87—C88—C89	113.6 (2)
C33—C34—H34	110.0	O24—C88—H88	111.1
O5—C35—C34	103.6 (3)	C87—C88—H88	111.1
O5—C35—H35A	111.0	C89—C88—H88	111.1
C34—C35—H35A	111.0	O23—C89—C88	103.7 (2)
O5—C35—H35B	111.0	O23—C89—H89A	111.0
C34—C35—H35B	111.0	C88—C89—H89A	111.0
H35A—C35—H35B	109.0	O23—C89—H89B	111.0
O5—C36—O6	107.1 (2)	C88—C89—H89B	111.0
O5—C36—C37	109.5 (4)	H89A—C89—H89B	109.0
O6—C36—C37	107.0 (4)	O23—C90—O24	104.5 (2)
O5—C36—C38	110.0 (4)	O23—C90—C92	109.9 (2)
O6—C36—C38	107.2 (3)	O24—C90—C92	109.3 (2)
C37—C36—C38	115.7 (5)	O23—C90—C91	112.5 (3)
C36—C37—H37A	109.5	O24—C90—C91	109.1 (2)
C36—C37—H37B	109.5	C92—C90—C91	111.3 (2)
H37A—C37—H37B	109.5	C90—C91—H91A	109.5
C36—C37—H37C	109.5	C90—C91—H91B	109.5
H37A—C37—H37C	109.5	H91A—C91—H91B	109.5
H37B—C37—H37C	109.5	C90—C91—H91C	109.5
C36—C38—H38A	109.5	H91A—C91—H91C	109.5
C36—C38—H38B	109.5	H91B—C91—H91C	109.5
H38A—C38—H38B	109.5	C90—C92—H92A	109.5
C36—C38—H38C	109.5	C90—C92—H92B	109.5
H38A—C38—H38C	109.5	H92A—C92—H92B	109.5
H38B—C38—H38C	109.5	C90—C92—H92C	109.5
C40—C39—C44	118.8 (2)	H92A—C92—H92C	109.5
C40—C39—C10	119.9 (2)	H92B—C92—H92C	109.5
C44—C39—C10	121.3 (2)	N5—C93—Ru1	167.0 (2)
O7—C40—C39	115.3 (2)	N5—C94—C101	108.0 (2)
O7—C40—C41	123.9 (2)	N5—C94—C95	110.8 (2)
C39—C40—C41	120.7 (2)	C101—C94—C95	112.6 (2)
C42—C41—C40	118.7 (2)	N5—C94—H94	108.4
C42—C41—H41	120.6	C101—C94—H94	108.4
C40—C41—H41	120.6	C95—C94—H94	108.4
C43—C42—C41	121.7 (2)	C100—C95—C96	118.7 (3)
C43—C42—H42	119.2	C100—C95—C94	122.3 (2)
C41—C42—H42	119.2	C96—C95—C94	118.9 (2)
C42—C43—C44	119.4 (2)	C97—C96—C95	120.9 (3)
C42—C43—H43	120.3	C97—C96—H96	119.6
C44—C43—H43	120.3	C95—C96—H96	119.6
O10—C44—C43	123.9 (2)	C98—C97—C96	120.1 (3)
O10—C44—C39	115.2 (2)	C98—C97—H97	120.0
C43—C44—C39	120.7 (2)	C96—C97—H97	120.0
O7—C45—C46	110.3 (2)	C97—C98—C99	119.9 (3)
O7—C45—H45A	109.6	C97—C98—H98	120.0
C46—C45—H45A	109.6	C99—C98—H98	120.0
O7—C45—H45B	109.6	C98—C99—C100	120.0 (3)
C46—C45—H45B	109.6	C98—C99—H99	120.0
H45A—C45—H45B	108.1	C100—C99—H99	120.0
O9—C46—C45	107.3 (2)	C95—C100—C99	120.4 (2)
O9—C46—C47	103.5 (2)	C95—C100—H100	119.8
C45—C46—C47	113.8 (2)	C99—C100—H100	119.8
O9—C46—H46	110.6	C94—C101—H10A	109.5
C45—C46—H46	110.6	C94—C101—H10B	109.5
C47—C46—H46	110.6	H10A—C101—H10B	109.5
O8—C47—C46	103.1 (2)	C94—C101—H10C	109.5
O8—C47—H47A	111.1	H10A—C101—H10C	109.5
C46—C47—H47A	111.1	H10B—C101—H10C	109.5
O8—C47—H47B	111.1	N6—C102—Ru1	178.2 (2)
C46—C47—H47B	111.1	N6—C103—C104	109.8 (2)
H47A—C47—H47B	109.1	N6—C103—C110	109.2 (2)
O8—C48—O9	105.8 (2)	C104—C103—C110	113.0 (2)
O8—C48—C50	112.1 (3)	N6—C103—H103	108.2
O9—C48—C50	109.5 (3)	C104—C103—H103	108.2
O8—C48—C49	107.7 (3)	C110—C103—H103	108.2
O9—C48—C49	108.9 (3)	C105—C104—C109	118.4 (3)
C50—C48—C49	112.6 (3)	C105—C104—C103	124.2 (2)
C48—C49—H49A	109.5	C109—C104—C103	117.4 (3)
C48—C49—H49B	109.5	C104—C105—C106	121.1 (3)
H49A—C49—H49B	109.5	C104—C105—H105	119.5
C48—C49—H49C	109.5	C106—C105—H105	119.5
H49A—C49—H49C	109.5	C105—C106—C107	120.1 (3)
H49B—C49—H49C	109.5	C105—C106—H106	119.9
C48—C50—H50A	109.5	C107—C106—H106	119.9
C48—C50—H50B	109.5	C108—C107—C106	119.7 (3)
H50A—C50—H50B	109.5	C108—C107—H107	120.2
C48—C50—H50C	109.5	C106—C107—H107	120.2
H50A—C50—H50C	109.5	C107—C108—C109	120.3 (3)
H50B—C50—H50C	109.5	C107—C108—H108	119.8
O10—C51—C52	110.6 (2)	C109—C108—H108	119.8
O10—C51—H51A	109.5	C108—C109—C104	120.4 (3)
C52—C51—H51A	109.5	C108—C109—H109	119.8
O10—C51—H51B	109.5	C104—C109—H109	119.8
C52—C51—H51B	109.5	C103—C110—H11A	109.5
H51A—C51—H51B	108.1	C103—C110—H11B	109.5
O12—C52—C53	102.5 (2)	H11A—C110—H11B	109.5
O12—C52—C51	109.1 (2)	C103—C110—H11C	109.5
C53—C52—C51	112.6 (2)	H11A—C110—H11C	109.5
O12—C52—H52	110.8	H11B—C110—H11C	109.5
C53—C52—H52	110.8