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The trinuclear arene–ruthenium cluster cation [H3Ru36-C6H6)(η6-C6H4MePri-p)23-O)]+has been synthesized and crystallized as the hexa­fluoro­phosphate salt. The cation possesses a mirror plane through the (η6-benzene)­ruthenium moiety and the μ3-O atom, and is disordered over a perpendicular mirror plane that includes the three Ru atoms.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803016222/cm6054sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536803016222/cm6054Isup2.hkl
Contains datablock I

CCDC reference: 221656

Key indicators

  • Single-crystal X-ray study
  • T = 153 K
  • Mean [sigma](C-C) = 0.007 Å
  • R factor = 0.033
  • wR factor = 0.078
  • Data-to-parameter ratio = 14.1

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


Yellow Alert Alert Level C:
PLAT_710 Alert C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 48 C2 -C1 -RU1 -RU2 114.20 0.40 1.555 1.555 1.555 2.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 49 C2 -C1 -RU1 -RU2 -114.20 0.40 12.565 1.555 1.555 2.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 76 RU2 -O1 -RU2 -C4 -49.00 3.00 2.555 1.555 1.555 12.565 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 77 RU1 -O1 -RU2 -C4 42.00 3.00 1.555 1.555 1.555 12.565 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 111 C5 -C4 -RU2 -O1 108.00 3.00 1.555 1.555 1.555 2.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 112 C3 -C4 -RU2 -O1 -118.00 3.00 1.555 1.555 1.555 2.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 152 C1 -RU1 -RU2 -O1 53.00 0.20 2.555 1.555 1.555 1.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 160 C1 -RU1 -RU2 -O1 -53.00 0.20 2.555 1.555 1.555 2.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 169 C1 -RU1 -RU2 -C3 76.20 0.30 2.555 1.555 1.555 1.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 178 C1 -RU1 -RU2 -C3 -76.20 0.30 2.555 1.555 1.555 12.565 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 187 C1 -RU1 -RU2 -C4 122.64 0.16 2.555 1.555 1.555 1.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 196 C1 -RU1 -RU2 -C4 -122.64 0.16 2.555 1.555 1.555 12.565 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 205 C1 -RU1 -RU2 -C5 159.83 0.12 2.555 1.555 1.555 1.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 214 C1 -RU1 -RU2 -C5 -159.83 0.12 2.555 1.555 1.555 12.565 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 223 C1 -RU1 -RU2 -RU2 0.00 0.00 2.555 1.555 1.555 2.555 PLAT_733 Alert C Torsion Calc -102.4(4), Rep -102.42(12) ...... 3.33 su-Rat C2 -C2 -RU1 -C2 11.555 1.555 1.555 12.565 PLAT_733 Alert C Torsion Calc 62.4(5), Rep 62.3(2) ...... 2.50 su-Rat C2 -C2 -RU1 -RU2 11.555 1.555 1.555 2.555 PLAT_733 Alert C Torsion Calc 103.2(3), Rep 103.22(13) ...... 2.31 su-Rat C3 -C3 -RU2 -C5 12.565 1.555 1.555 1.555 PLAT_733 Alert C Torsion Calc -98.8(2), Rep -98.79(7) ...... 2.86 su-Rat C3 -C3 -RU2 -RU2 12.565 1.555 1.555 2.555 PLAT_733 Alert C Torsion Calc -103.2(3), Rep -103.24(13) ...... 2.31 su-Rat C5 -C5 -RU2 -C3 12.565 1.555 1.555 1.555 PLAT_733 Alert C Torsion Calc 97.6(2), Rep 97.56(6) ...... 3.33 su-Rat C5 -C5 -RU2 -RU1 12.565 1.555 1.555 1.555
0 Alert Level A = Potentially serious problem
0 Alert Level B = Potential problem
21 Alert Level C = Please check

Computing details top

Data collection: EXPOSE (Stoe IPDS Software, 2000); cell refinement: CELL (Stoe IPDS Software, 2000); data reduction: INTEGRATE (Stoe IPDS Software, 2000); program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON99 (Spek, 1990); software used to prepare material for publication: SHELXL97 (Sheldrick, 1997).

(η6-benzene)bis(η6-p-cymene)tri-µ-hydrido-µ3-oxo-triruthenium hexafluorophosphate top
Crystal data top
C26H37ORu3+·F6PF(000) = 1608
Mr = 813.74Dx = 1.892 Mg m3
Orthorhombic, ImmaMo Kα radiation, λ = 0.71073 Å
Hall symbol: -I 2b 2Cell parameters from 6951 reflections
a = 19.522 (4) Åθ = 1.8–25.9°
b = 10.738 (2) ŵ = 1.68 mm1
c = 13.628 (3) ÅT = 153 K
V = 2856.8 (10) Å3Block, red
Z = 40.40 × 0.15 × 0.15 mm
Data collection top
STOE IPDS
diffractometer
1162 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.085
Graphite monochromatorθmax = 25.9°, θmin = 1.8°
Detector resolution: 0.81Å pixels mm-1h = 2323
phi oscillation scansk = 1313
9851 measured reflectionsl = 1616
1505 independent reflections
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.033Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.078H-atom parameters constrained
S = 0.92 w = 1/[σ2(Fo2) + (0.0477P)2]
where P = (Fo2 + 2Fc2)/3
1505 reflections(Δ/σ)max < 0.001
107 parametersΔρmax = 0.82 e Å3
0 restraintsΔρmin = 0.79 e Å3
Special details top

Experimental. A crystal was mounted at 153 K on a Stoe Image Plate Diffraction System (Stoe & Cie, 2000) using Mo Kα graphite monochromated radiation. Image plate distance 70 mm, φ oscillation scans 0 - 200°, step Δφ = 1.2°, 3 minutes per frame.

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 (Å2) top
xyzUiso*/UeqOcc. (<1)
C10.0699 (4)0.25000.6123 (5)0.076 (3)
H10.11750.25000.61150.091*
C20.0351 (4)0.1395 (5)0.6129 (4)0.070 (2)
H20.05890.06460.61330.084*
C30.1177 (2)0.1841 (4)0.1767 (3)0.0305 (9)
C40.1489 (2)0.1199 (4)0.2555 (3)0.0336 (10)
H40.15050.03330.25420.040*
C50.17776 (19)0.1838 (4)0.3359 (3)0.0313 (9)
C60.2066 (5)0.1089 (10)0.4226 (6)0.043 (2)0.50
H6A0.17830.03740.43420.064*0.50
H6B0.25240.08220.40760.064*0.50
H6C0.20730.16030.48020.064*0.50
C70.0873 (4)0.1144 (9)0.0904 (6)0.035 (2)0.50
H70.04990.16580.06490.042*0.50
C80.0568 (6)0.0109 (10)0.1163 (8)0.054 (3)0.50
H8A0.09190.06410.14220.082*0.50
H8B0.02150.00000.16470.082*0.50
H8C0.03760.04820.05850.082*0.50
C90.1406 (7)0.1043 (13)0.0089 (8)0.076 (4)0.50
H9A0.15840.18560.00570.113*0.50
H9B0.17720.05100.02980.113*0.50
H9C0.11960.07000.04880.113*0.50
O10.00000.1490 (6)0.3702 (5)0.0233 (16)0.50
P10.25000.25000.25000.0487 (7)
F10.2327 (2)0.1472 (4)0.3290 (3)0.0904 (12)
F20.1717 (2)0.25000.2157 (4)0.0902 (19)
Ru10.00000.25000.48864 (4)0.02096 (17)
Ru20.07150 (2)0.25000.31447 (3)0.02620 (16)
H1H0.05200.16250.42570.050*0.50
H2H0.00000.30470.27710.050*0.50
H30.09770.14020.12520.050*0.50
H50.19670.13920.38890.050*0.50
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C10.032 (4)0.164 (12)0.032 (4)0.0000.014 (3)0.000
C20.115 (6)0.051 (3)0.044 (3)0.044 (3)0.008 (3)0.013 (2)
C30.032 (2)0.029 (2)0.031 (2)0.0003 (19)0.0098 (17)0.0025 (17)
C40.038 (2)0.026 (2)0.037 (2)0.008 (2)0.0069 (19)0.0016 (18)
C50.0176 (19)0.041 (2)0.036 (2)0.0053 (18)0.0050 (16)0.0031 (19)
C60.030 (5)0.056 (6)0.042 (5)0.013 (5)0.003 (4)0.012 (4)
C70.028 (5)0.039 (5)0.039 (5)0.002 (4)0.003 (4)0.004 (4)
C80.057 (6)0.042 (6)0.065 (7)0.009 (5)0.016 (6)0.004 (5)
C90.069 (8)0.107 (10)0.051 (7)0.023 (8)0.021 (6)0.049 (7)
O10.018 (4)0.016 (3)0.035 (4)0.0000.0000.000 (3)
P10.0295 (13)0.0731 (19)0.0436 (14)0.0000.0119 (11)0.000
F10.088 (3)0.109 (3)0.073 (2)0.013 (3)0.013 (2)0.033 (2)
F20.035 (2)0.173 (6)0.063 (3)0.0000.005 (2)0.000
Ru10.0178 (3)0.0224 (3)0.0227 (3)0.0000.0000.000
Ru20.0188 (2)0.0364 (3)0.0234 (2)0.0000.00116 (17)0.000
Geometric parameters (Å, º) top
C1—C21.368 (7)C8—H8C0.9600
C1—C2i1.368 (7)C9—H9A0.9600
C1—Ru12.168 (7)C9—H9B0.9600
C1—H10.9300C9—H9C0.9600
C2—C2ii1.369 (14)O1—Ru21.924 (5)
C2—Ru12.178 (5)O1—Ru2iii1.924 (5)
C2—H20.9300O1—Ru11.945 (7)
C3—C41.414 (6)O1—H1H1.2746
C3—C3i1.415 (8)P1—F1i1.579 (4)
C3—C71.515 (10)P1—F1iv1.579 (4)
C3—Ru22.200 (4)P1—F11.579 (4)
C3—H30.9309P1—F1v1.579 (4)
C4—C51.410 (6)P1—F2iv1.599 (5)
C4—Ru22.210 (4)P1—F21.599 (5)
C4—H40.9300Ru1—O1iii1.945 (7)
C5—C5i1.422 (9)Ru1—C1iii2.168 (7)
C5—C61.537 (9)Ru1—C2ii2.178 (5)
C5—Ru22.212 (4)Ru1—C2iii2.178 (5)
C5—H50.9426Ru1—C2i2.178 (5)
C6—H6A0.9600Ru1—Ru2iii2.7536 (8)
C6—H6B0.9600Ru1—Ru22.7536 (8)
C6—H6C0.9600Ru1—H1H1.6276
C6—H50.5950Ru2—O1iii1.924 (5)
C7—C81.514 (14)Ru2—C3i2.200 (4)
C7—C91.525 (13)Ru2—C4i2.210 (4)
C7—H70.9800Ru2—C5i2.212 (4)
C7—H30.5854Ru2—Ru2iii2.7917 (11)
C8—H8A0.9600Ru2—H1H1.8237
C8—H8B0.9600Ru2—H2H1.5979
C2—C1—C2i120.4 (8)C1iii—Ru1—C2i66.0 (2)
C2—C1—Ru172.1 (4)C2ii—Ru1—C2i77.9 (3)
C2i—C1—Ru172.1 (4)C2—Ru1—C2i66.0 (3)
C2—C1—H1119.8C2iii—Ru1—C2i36.6 (4)
C2i—C1—H1119.8O1—Ru1—Ru2iii44.32 (14)
Ru1—C1—H1128.3O1iii—Ru1—Ru2iii44.32 (14)
C1—C2—C2ii119.8 (4)C1—Ru1—Ru2iii171.5 (2)
C1—C2—Ru171.3 (4)C1iii—Ru1—Ru2iii110.6 (2)
C2ii—C2—Ru171.69 (19)C2ii—Ru1—Ru2iii120.73 (16)
C1—C2—H2120.1C2—Ru1—Ru2iii146.04 (18)
C2ii—C2—H2120.1C2iii—Ru1—Ru2iii120.73 (16)
Ru1—C2—H2129.3C2i—Ru1—Ru2iii146.04 (18)
C4—C3—C3i119.2 (2)O1—Ru1—Ru244.32 (14)
C4—C3—C7121.1 (5)O1iii—Ru1—Ru244.32 (14)
C3i—C3—C7119.6 (4)C1—Ru1—Ru2110.6 (2)
C4—C3—Ru271.7 (2)C1iii—Ru1—Ru2171.5 (2)
C3i—C3—Ru271.24 (11)C2ii—Ru1—Ru2146.04 (18)
C7—C3—Ru2131.4 (4)C2—Ru1—Ru2120.73 (16)
C4—C3—H3120.4C2iii—Ru1—Ru2146.04 (18)
C3i—C3—H3120.4C2i—Ru1—Ru2120.73 (16)
C7—C3—H32.2Ru2iii—Ru1—Ru260.92 (3)
Ru2—C3—H3129.3O1—Ru1—H1H40.6
C5—C4—C3121.6 (4)O1iii—Ru1—H1H83.4
C5—C4—Ru271.5 (2)C1—Ru1—H1H91.0
C3—C4—Ru270.9 (2)C1iii—Ru1—H1H143.3
C5—C4—H4119.2C2ii—Ru1—H1H106.9
C3—C4—H4119.2C2—Ru1—H1H84.2
Ru2—C4—H4131.3C2iii—Ru1—H1H157.0
C4—C5—C5i119.1 (2)C2i—Ru1—H1H121.9
C4—C5—C6119.3 (5)Ru2iii—Ru1—H1H82.1
C5i—C5—C6121.6 (4)Ru2—Ru1—H1H39.6
C4—C5—Ru271.3 (2)O1—Ru2—O1iii68.7 (4)
C5i—C5—Ru271.25 (11)O1—Ru2—C3116.9 (2)
C6—C5—Ru2127.9 (4)O1iii—Ru2—C3144.7 (2)
C4—C5—H5120.3O1—Ru2—C3i144.7 (2)
C5i—C5—H5120.5O1iii—Ru2—C3i116.9 (2)
C6—C5—H51.7C3—Ru2—C3i37.5 (2)
Ru2—C5—H5129.2O1—Ru2—C4106.4 (2)
C5—C6—H52.7O1iii—Ru2—C4175.1 (2)
H6A—C6—H5112.1C3—Ru2—C437.40 (15)
H6B—C6—H5107.6C3i—Ru2—C467.20 (16)
H6C—C6—H5108.7O1—Ru2—C4i175.1 (2)
C8—C7—C3114.4 (7)O1iii—Ru2—C4i106.4 (2)
C8—C7—C9112.0 (9)C3—Ru2—C4i67.20 (16)
C3—C7—C9109.5 (7)C3i—Ru2—C4i37.40 (15)
C8—C7—H7106.8C4—Ru2—C4i78.5 (2)
C3—C7—H7106.8O1—Ru2—C5116.55 (18)
C9—C7—H7106.8O1iii—Ru2—C5144.0 (2)
C8—C7—H3111.6C3—Ru2—C567.95 (15)
C3—C7—H33.5C3i—Ru2—C580.29 (15)
C9—C7—H3112.9C4—Ru2—C537.20 (16)
H7—C7—H3106.2C4i—Ru2—C567.05 (16)
Ru2—O1—Ru2iii93.0 (3)O1—Ru2—C5i144.0 (2)
Ru2—O1—Ru190.7 (2)O1iii—Ru2—C5i116.55 (18)
Ru2iii—O1—Ru190.7 (2)C3—Ru2—C5i80.29 (15)
Ru2—O1—H1H65.9C3i—Ru2—C5i67.95 (15)
Ru2iii—O1—H1H138.4C4—Ru2—C5i67.05 (16)
Ru1—O1—H1H56.2C4i—Ru2—C5i37.20 (16)
F1i—P1—F1iv91.2 (3)C5—Ru2—C5i37.5 (2)
F1i—P1—F188.8 (3)O1—Ru2—Ru144.9 (2)
F1iv—P1—F1180.0 (2)O1iii—Ru2—Ru144.9 (2)
F1i—P1—F1v180.00 (19)C3—Ru2—Ru1160.66 (11)
F1iv—P1—F1v88.8 (3)C3i—Ru2—Ru1160.66 (11)
F1—P1—F1v91.2 (3)C4—Ru2—Ru1131.32 (11)
F1i—P1—F2iv90.3 (2)C4i—Ru2—Ru1131.32 (11)
F1iv—P1—F2iv89.7 (2)C5—Ru2—Ru1111.20 (10)
F1—P1—F2iv90.3 (2)C5i—Ru2—Ru1111.20 (10)
F1v—P1—F2iv89.7 (2)O1—Ru2—Ru2iii43.49 (15)
F1i—P1—F289.7 (2)O1iii—Ru2—Ru2iii43.49 (15)
F1iv—P1—F290.3 (2)C3—Ru2—Ru2iii114.22 (11)
F1—P1—F289.7 (2)C3i—Ru2—Ru2iii114.22 (11)
F1v—P1—F290.3 (2)C4—Ru2—Ru2iii133.15 (12)
F2iv—P1—F2180.00 (10)C4i—Ru2—Ru2iii133.15 (12)
O1—Ru1—O1iii67.8 (4)C5—Ru2—Ru2iii159.67 (11)
O1—Ru1—C1130.18 (19)C5i—Ru2—Ru2iii159.67 (11)
O1iii—Ru1—C1130.18 (19)Ru1—Ru2—Ru2iii59.542 (14)
O1—Ru1—C1iii130.18 (19)O1—Ru2—H1H39.7
O1iii—Ru1—C1iii130.18 (19)O1iii—Ru2—H1H79.1
C1—Ru1—C1iii78.0 (4)C3—Ru2—H1H129.0
O1—Ru1—C2ii110.0 (2)C3i—Ru2—H1H163.9
O1iii—Ru1—C2ii161.66 (19)C4—Ru2—H1H96.9
C1—Ru1—C2ii66.0 (2)C4i—Ru2—H1H140.4
C1iii—Ru1—C2ii36.7 (2)C5—Ru2—H1H85.4
O1—Ru1—C2110.0 (2)C5i—Ru2—H1H104.6
O1iii—Ru1—C2161.66 (19)Ru1—Ru2—H1H34.7
C1—Ru1—C236.7 (2)Ru2iii—Ru2—H1H78.0
C1iii—Ru1—C266.0 (2)O1—Ru2—H2H72.5
C2ii—Ru1—C236.6 (4)O1iii—Ru2—H2H44.3
O1—Ru1—C2iii161.66 (19)C3—Ru2—H2H101.8
O1iii—Ru1—C2iii110.0 (2)C3i—Ru2—H2H88.2
C1—Ru1—C2iii66.0 (2)C4—Ru2—H2H135.5
C1iii—Ru1—C2iii36.7 (2)C4i—Ru2—H2H104.4
C2ii—Ru1—C2iii66.0 (3)C5—Ru2—H2H168.3
C2—Ru1—C2iii77.9 (3)C5i—Ru2—H2H138.0
O1—Ru1—C2i161.66 (19)Ru1—Ru2—H2H80.3
O1iii—Ru1—C2i110.0 (2)Ru2iii—Ru2—H2H29.1
C1—Ru1—C2i36.7 (2)H1H—Ru2—H2H105.8
C2i—C1—C2—C2ii0.8 (9)C3—C4—Ru2—C3i29.9 (2)
Ru1—C1—C2—C2ii54.8 (3)C5—C4—Ru2—C4i67.1 (3)
C2i—C1—C2—Ru155.6 (7)C3—C4—Ru2—C4i67.4 (3)
C3i—C3—C4—C52.4 (5)C3—C4—Ru2—C5134.5 (4)
C7—C3—C4—C5179.6 (5)C5—C4—Ru2—C5i29.9 (2)
Ru2—C3—C4—C552.6 (4)C3—C4—Ru2—C5i104.6 (3)
C3i—C3—C4—Ru255.02 (16)C5—C4—Ru2—Ru168.8 (3)
C7—C3—C4—Ru2127.8 (5)C3—C4—Ru2—Ru1156.72 (19)
C3—C4—C5—C5i2.4 (5)C5—C4—Ru2—Ru2iii152.98 (19)
Ru2—C4—C5—C5i54.77 (16)C3—C4—Ru2—Ru2iii72.5 (3)
C3—C4—C5—C6175.9 (5)C4—C5—Ru2—O182.2 (3)
Ru2—C4—C5—C6123.6 (5)C5i—C5—Ru2—O1146.6 (3)
C3—C4—C5—Ru252.3 (4)C6—C5—Ru2—O130.8 (7)
C4—C3—C7—C832.9 (9)C4—C5—Ru2—O1iii172.0 (4)
C3i—C3—C7—C8149.9 (6)C5i—C5—Ru2—O1iii56.9 (4)
Ru2—C3—C7—C859.5 (10)C6—C5—Ru2—O1iii59.0 (7)
C4—C3—C7—C993.7 (9)C4—C5—Ru2—C327.9 (2)
C3i—C3—C7—C983.4 (9)C5i—C5—Ru2—C3103.24 (13)
Ru2—C3—C7—C9173.8 (7)C6—C5—Ru2—C3140.9 (6)
Ru2—O1—Ru1—O1iii46.52 (15)C4—C5—Ru2—C3i64.8 (3)
Ru2iii—O1—Ru1—O1iii46.52 (15)C5i—C5—Ru2—C3i66.26 (12)
Ru2—O1—Ru1—C178.1 (4)C6—C5—Ru2—C3i177.9 (6)
Ru2iii—O1—Ru1—C1171.1 (2)C5i—C5—Ru2—C4131.1 (2)
Ru2—O1—Ru1—C1iii171.1 (2)C6—C5—Ru2—C4113.0 (7)
Ru2iii—O1—Ru1—C1iii78.1 (4)C4—C5—Ru2—C4i101.5 (3)
Ru2—O1—Ru1—C2ii153.0 (2)C5i—C5—Ru2—C4i29.65 (14)
Ru2iii—O1—Ru1—C2ii114.0 (3)C6—C5—Ru2—C4i145.5 (6)
Ru2—O1—Ru1—C2114.0 (3)C4—C5—Ru2—C5i131.1 (2)
Ru2iii—O1—Ru1—C2153.0 (2)C6—C5—Ru2—C5i115.9 (6)
Ru2—O1—Ru1—C2iii133.1 (7)C4—C5—Ru2—Ru1131.3 (2)
Ru2iii—O1—Ru1—C2iii40.1 (9)C5i—C5—Ru2—Ru197.56 (6)
Ru2—O1—Ru1—C2i40.1 (9)C6—C5—Ru2—Ru118.3 (6)
Ru2iii—O1—Ru1—C2i133.1 (7)C4—C5—Ru2—Ru2iii72.5 (4)
Ru2—O1—Ru1—Ru2iii93.0 (3)C5i—C5—Ru2—Ru2iii156.3 (3)
Ru2iii—O1—Ru1—Ru293.0 (3)C6—C5—Ru2—Ru2iii40.5 (7)
C2—C1—Ru1—O167.3 (5)O1iii—Ru1—Ru2—O1105.9 (4)
C2i—C1—Ru1—O1161.1 (4)C1—Ru1—Ru2—O1127.0 (2)
C2—C1—Ru1—O1iii161.1 (4)C1iii—Ru1—Ru2—O153.0 (2)
C2i—C1—Ru1—O1iii67.3 (5)C2ii—Ru1—Ru2—O149.8 (4)
C2—C1—Ru1—C1iii65.8 (4)C2—Ru1—Ru2—O187.7 (3)
C2i—C1—Ru1—C1iii65.8 (4)C2iii—Ru1—Ru2—O1155.7 (4)
C2—C1—Ru1—C2ii29.2 (4)C2i—Ru1—Ru2—O1166.4 (3)
C2i—C1—Ru1—C2ii102.4 (5)Ru2iii—Ru1—Ru2—O153.0 (2)
C2i—C1—Ru1—C2131.6 (8)O1—Ru1—Ru2—O1iii105.9 (4)
C2—C1—Ru1—C2iii102.4 (5)C1—Ru1—Ru2—O1iii127.0 (2)
C2i—C1—Ru1—C2iii29.2 (4)C1iii—Ru1—Ru2—O1iii53.0 (2)
C2—C1—Ru1—C2i131.6 (8)C2ii—Ru1—Ru2—O1iii155.7 (4)
C2—C1—Ru1—Ru2iii114.2 (4)C2—Ru1—Ru2—O1iii166.4 (3)
C2i—C1—Ru1—Ru2iii114.2 (4)C2iii—Ru1—Ru2—O1iii49.8 (4)
C2—C1—Ru1—Ru2114.2 (4)C2i—Ru1—Ru2—O1iii87.7 (3)
C2i—C1—Ru1—Ru2114.2 (4)Ru2iii—Ru1—Ru2—O1iii53.0 (2)
C1—C2—Ru1—O1131.4 (4)O1—Ru1—Ru2—C323.2 (4)
C2ii—C2—Ru1—O196.90 (12)O1iii—Ru1—Ru2—C3129.2 (4)
C1—C2—Ru1—O1iii51.9 (10)C1—Ru1—Ru2—C3103.8 (3)
C2ii—C2—Ru1—O1iii176.4 (8)C1iii—Ru1—Ru2—C376.2 (3)
C2ii—C2—Ru1—C1131.7 (4)C2ii—Ru1—Ru2—C326.6 (5)
C1—C2—Ru1—C1iii102.5 (5)C2—Ru1—Ru2—C364.5 (4)
C2ii—C2—Ru1—C1iii29.2 (2)C2iii—Ru1—Ru2—C3178.9 (4)
C1—C2—Ru1—C2ii131.7 (4)C2i—Ru1—Ru2—C3143.1 (4)
C1—C2—Ru1—C2iii65.8 (4)Ru2iii—Ru1—Ru2—C376.2 (3)
C2ii—C2—Ru1—C2iii65.9 (3)O1—Ru1—Ru2—C3i129.2 (4)
C1—C2—Ru1—C2i29.3 (5)O1iii—Ru1—Ru2—C3i23.2 (4)
C2ii—C2—Ru1—C2i102.42 (12)C1—Ru1—Ru2—C3i103.8 (3)
C1—C2—Ru1—Ru2iii166.0 (4)C1iii—Ru1—Ru2—C3i76.2 (3)
C2ii—C2—Ru1—Ru2iii62.3 (2)C2ii—Ru1—Ru2—C3i178.9 (4)
C1—C2—Ru1—Ru283.4 (4)C2—Ru1—Ru2—C3i143.1 (4)
C2ii—C2—Ru1—Ru2144.87 (16)C2iii—Ru1—Ru2—C3i26.6 (5)
Ru2iii—O1—Ru2—O1iii44.0 (3)C2i—Ru1—Ru2—C3i64.5 (4)
Ru1—O1—Ru2—O1iii46.8 (3)Ru2iii—Ru1—Ru2—C3i76.2 (3)
Ru2iii—O1—Ru2—C397.6 (2)O1—Ru1—Ru2—C469.7 (3)
Ru1—O1—Ru2—C3171.58 (14)O1iii—Ru1—Ru2—C4175.6 (3)
Ru2iii—O1—Ru2—C3i62.9 (4)C1—Ru1—Ru2—C457.36 (16)
Ru1—O1—Ru2—C3i153.7 (2)C1iii—Ru1—Ru2—C4122.64 (16)
Ru2iii—O1—Ru2—C4136.5 (2)C2ii—Ru1—Ru2—C419.9 (3)
Ru1—O1—Ru2—C4132.75 (18)C2—Ru1—Ru2—C418.0 (3)
Ru2iii—O1—Ru2—C4i49 (3)C2iii—Ru1—Ru2—C4134.6 (3)
Ru1—O1—Ru2—C4i42 (3)C2i—Ru1—Ru2—C496.7 (3)
Ru2iii—O1—Ru2—C5175.12 (17)Ru2iii—Ru1—Ru2—C4122.64 (16)
Ru1—O1—Ru2—C594.1 (2)O1—Ru1—Ru2—C4i175.6 (3)
Ru2iii—O1—Ru2—C5i150.1 (2)O1iii—Ru1—Ru2—C4i69.7 (3)
Ru1—O1—Ru2—C5i59.4 (4)C1—Ru1—Ru2—C4i57.36 (16)
Ru2iii—O1—Ru2—Ru190.8 (3)C1iii—Ru1—Ru2—C4i122.64 (16)
Ru1—O1—Ru2—Ru2iii90.8 (3)C2ii—Ru1—Ru2—C4i134.6 (3)
C4—C3—Ru2—O181.9 (3)C2—Ru1—Ru2—C4i96.7 (3)
C3i—C3—Ru2—O1147.2 (2)C2iii—Ru1—Ru2—C4i19.9 (3)
C7—C3—Ru2—O133.8 (6)C2i—Ru1—Ru2—C4i18.0 (3)
C4—C3—Ru2—O1iii172.5 (3)Ru2iii—Ru1—Ru2—C4i122.64 (16)
C3i—C3—Ru2—O1iii56.6 (3)O1—Ru1—Ru2—C5106.9 (2)
C7—C3—Ru2—O1iii56.8 (7)O1iii—Ru1—Ru2—C5147.2 (2)
C4—C3—Ru2—C3i130.9 (2)C1—Ru1—Ru2—C520.17 (12)
C7—C3—Ru2—C3i113.4 (6)C1iii—Ru1—Ru2—C5159.83 (12)
C3i—C3—Ru2—C4130.9 (2)C2ii—Ru1—Ru2—C557.1 (3)
C7—C3—Ru2—C4115.7 (6)C2—Ru1—Ru2—C519.2 (2)
C4—C3—Ru2—C4i101.1 (4)C2iii—Ru1—Ru2—C597.4 (3)
C3i—C3—Ru2—C4i29.85 (15)C2i—Ru1—Ru2—C559.5 (2)
C7—C3—Ru2—C4i143.2 (6)Ru2iii—Ru1—Ru2—C5159.83 (12)
C4—C3—Ru2—C527.7 (3)O1—Ru1—Ru2—C5i147.2 (2)
C3i—C3—Ru2—C5103.22 (13)O1iii—Ru1—Ru2—C5i106.9 (2)
C7—C3—Ru2—C5143.4 (6)C1—Ru1—Ru2—C5i20.17 (12)
C4—C3—Ru2—C5i64.7 (3)C1iii—Ru1—Ru2—C5i159.83 (12)
C3i—C3—Ru2—C5i66.27 (12)C2ii—Ru1—Ru2—C5i97.4 (3)
C7—C3—Ru2—C5i179.6 (6)C2—Ru1—Ru2—C5i59.5 (2)
C4—C3—Ru2—Ru163.7 (4)C2iii—Ru1—Ru2—C5i57.1 (3)
C3i—C3—Ru2—Ru1165.4 (4)C2i—Ru1—Ru2—C5i19.2 (2)
C7—C3—Ru2—Ru152.1 (7)Ru2iii—Ru1—Ru2—C5i159.83 (12)
C4—C3—Ru2—Ru2iii130.3 (2)O1—Ru1—Ru2—Ru2iii53.0 (2)
C3i—C3—Ru2—Ru2iii98.79 (7)O1iii—Ru1—Ru2—Ru2iii53.0 (2)
C7—C3—Ru2—Ru2iii14.6 (6)C1—Ru1—Ru2—Ru2iii180.0
C5—C4—Ru2—O1112.5 (3)C1iii—Ru1—Ru2—Ru2iii0.0
C3—C4—Ru2—O1113.0 (3)C2ii—Ru1—Ru2—Ru2iii102.8 (3)
C5—C4—Ru2—O1iii108 (3)C2—Ru1—Ru2—Ru2iii140.7 (2)
C3—C4—Ru2—O1iii118 (3)C2iii—Ru1—Ru2—Ru2iii102.8 (3)
C5—C4—Ru2—C3134.5 (4)C2i—Ru1—Ru2—Ru2iii140.7 (2)
C5—C4—Ru2—C3i104.6 (3)
Symmetry codes: (i) x, y+1/2, z; (ii) x, y, z; (iii) x, y+1/2, z; (iv) x+1/2, y+1/2, z+1/2; (v) x+1/2, y, z+1/2.
 

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