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The asymmetric unit of the title mixed-valence complex, [Ru2(C2H4NO)4(H2O)2](C24H20B)·H2O, comprises half each of two centrosymmetric cations, with Ru—Ru bond distances of 2.2823 (5) and 2.2742 (5) Å, a tetra­phenyl­borate anion and a water mol­ecule. N—H...O and O—H...O hydrogen bonds connect the diruthenium units into a chain.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806039560/kp2036sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806039560/kp2036Isup2.hkl
Contains datablock I

CCDC reference: 627964

Key indicators

  • Single-crystal X-ray study
  • T = 123 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.027
  • wR factor = 0.059
  • Data-to-parameter ratio = 17.3

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT420_ALERT_2_B D-H Without Acceptor O6 - H8 ... ? PLAT420_ALERT_2_B D-H Without Acceptor O7 - H41 ... ? PLAT420_ALERT_2_B D-H Without Acceptor O7 - H42 ... ?
Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Ru2 - O6 .. 5.94 su PLAT354_ALERT_3_C Short O-H Bond (0.82A) O7 - H42 ... 0.70 Ang. PLAT420_ALERT_2_C D-H Without Acceptor N2 - H2 ... ? PLAT420_ALERT_2_C D-H Without Acceptor N4 - H4 ... ?
0 ALERT level A = In general: serious problem 3 ALERT level B = Potentially serious problem 5 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: CrystalClear (Molecular Structure Corporation & Rigaku, 2001); cell refinement: CrystalClear; data reduction: TEXSAN (Rigaku/MSC, 2004); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97 and TEXSAN.

Tetra-µ-acetamidato-κ4N,O;κ4O,N-bis[aquaruthenium(II,III)](Ru—Ru) tetraphenylborate monohydrate top
Crystal data top
[Ru2(C2H4NO)4(H2O)2]C24H20B·H2OZ = 2
Mr = 807.65F(000) = 822
Triclinic, P1Dx = 1.585 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71069 Å
a = 9.562 (2) ÅCell parameters from 5667 reflections
b = 13.554 (3) Åθ = 3.0–27.5°
c = 13.848 (3) ŵ = 0.94 mm1
α = 77.739 (6)°T = 123 K
β = 84.236 (8)°Block, brown
γ = 75.068 (7)°0.45 × 0.35 × 0.35 mm
V = 1692.6 (6) Å3
Data collection top
Rigaku/MSC Mercury CCD area-detector
diffractometer
7680 independent reflections
Graphite monochromator6970 reflections with I > 2σ(I)
Detector resolution: 14.62 pixels mm-1Rint = 0.024
ω scansθmax = 27.5°, θmin = 3.0°
Absorption correction: integration
(NUMABS; Higashi, 1999)
h = 1112
Tmin = 0.676, Tmax = 0.734k = 1712
13834 measured reflectionsl = 1617
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)] = 0.027Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.059H atoms treated by a mixture of independent and constrained refinement
S = 1.07 w = 1/[σ2(Fo2) + (0.0182P)2 + 1.827P]
where P = (Fo2 + 2Fc2)/3
7680 reflections(Δ/σ)max = 0.002
443 parametersΔρmax = 0.62 e Å3
0 restraintsΔρmin = 0.52 e Å3
Special details top

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*/Ueq
Ru10.547048 (17)0.454408 (13)0.073517 (12)0.01090 (5)
Ru20.428019 (17)0.507846 (13)0.436870 (12)0.00979 (5)
N10.55817 (19)0.32355 (14)0.02148 (13)0.0147 (4)
H10.59060.26290.06020.018*
O10.46844 (16)0.41227 (12)0.12486 (11)0.0157 (3)
N20.25397 (18)0.53846 (14)0.01114 (13)0.0145 (4)
H20.17790.56680.04720.017*
O20.34425 (15)0.45274 (12)0.13580 (11)0.0153 (3)
N30.58033 (19)0.55981 (14)0.34216 (13)0.0134 (4)
H30.56770.57400.27810.016*
O30.72264 (15)0.54834 (12)0.46671 (11)0.0140 (3)
N40.66468 (19)0.34460 (14)0.54395 (13)0.0141 (4)
H40.73500.30660.58210.017*
O40.52500 (15)0.35925 (11)0.41747 (11)0.0127 (3)
O50.64117 (18)0.35875 (14)0.21999 (12)0.0176 (3)
H50.603 (3)0.363 (2)0.274 (3)0.034 (9)*
H60.666 (3)0.296 (3)0.221 (2)0.038 (9)*
O60.26932 (18)0.51407 (14)0.31764 (13)0.0182 (3)
H70.302 (3)0.496 (2)0.264 (3)0.036 (9)*
H80.221 (3)0.470 (3)0.344 (2)0.039 (9)*
C10.5199 (2)0.32461 (17)0.06606 (16)0.0147 (4)
C20.5302 (3)0.22760 (18)0.10425 (18)0.0219 (5)
H90.57340.23480.17180.033*
H100.43300.21630.10430.033*
H110.59090.16810.06160.033*
C30.2346 (2)0.49359 (16)0.08032 (16)0.0136 (4)
C40.0896 (2)0.48476 (18)0.12778 (17)0.0192 (5)
H120.01460.51850.07990.029*
H130.07000.51890.18510.029*
H140.08930.41110.14940.029*
C50.6971 (2)0.57267 (16)0.37420 (15)0.0129 (4)
C60.8056 (2)0.61811 (19)0.30548 (17)0.0203 (5)
H150.90350.58290.32730.030*
H160.78710.69260.30590.030*
H170.79710.60850.23830.030*
C70.6245 (2)0.30406 (16)0.47774 (15)0.0129 (4)
C80.6882 (2)0.19384 (17)0.46593 (17)0.0181 (5)
H180.60990.15960.46470.027*
H190.74910.15660.52150.027*
H200.74710.19320.40380.027*
B10.2034 (3)0.08923 (19)0.23457 (18)0.0141 (5)
C90.1470 (2)0.14078 (16)0.12274 (16)0.0144 (4)
C100.0512 (2)0.10692 (18)0.07426 (17)0.0183 (5)
H210.01650.04820.10730.022*
C110.0047 (3)0.15576 (19)0.02036 (18)0.0214 (5)
H220.06100.13070.05020.026*
C120.0544 (3)0.24067 (19)0.07046 (18)0.0225 (5)
H230.02330.27450.13480.027*
C130.1506 (2)0.27601 (18)0.02550 (18)0.0206 (5)
H240.18620.33390.05950.025*
C140.1948 (2)0.22712 (17)0.06871 (17)0.0168 (4)
H250.26010.25300.09800.020*
C150.1243 (2)0.00530 (16)0.28536 (16)0.0141 (4)
C160.1623 (2)0.09801 (18)0.24843 (17)0.0181 (5)
H260.23200.10320.19470.022*
C170.1031 (3)0.18215 (18)0.28657 (18)0.0214 (5)
H270.13180.24310.25880.026*
C180.0016 (3)0.17720 (19)0.36558 (18)0.0230 (5)
H280.03900.23470.39270.028*
C190.0395 (3)0.0875 (2)0.40436 (18)0.0225 (5)
H290.10930.08310.45820.027*
C200.0209 (2)0.00309 (18)0.36475 (17)0.0171 (4)
H300.00910.05780.39250.021*
C210.1611 (2)0.18331 (17)0.29803 (16)0.0147 (4)
C220.0189 (2)0.24657 (17)0.29723 (17)0.0174 (4)
H310.04850.23490.25760.021*
C230.0278 (2)0.32530 (17)0.35158 (18)0.0195 (5)
H320.12510.36580.34860.023*
C240.0678 (3)0.34476 (18)0.41026 (18)0.0217 (5)
H330.03670.39780.44830.026*
C250.2098 (3)0.28512 (19)0.41228 (18)0.0237 (5)
H340.27670.29740.45200.028*
C260.2547 (2)0.20699 (19)0.35604 (17)0.0199 (5)
H350.35300.16850.35740.024*
C270.3790 (2)0.03495 (17)0.22952 (17)0.0151 (4)
C280.4644 (2)0.02999 (17)0.14138 (17)0.0163 (4)
H360.42120.06390.08040.020*
C290.6113 (2)0.02314 (18)0.13986 (18)0.0196 (5)
H370.66530.02550.07860.024*
C300.6776 (2)0.07215 (19)0.22785 (19)0.0231 (5)
H380.77720.10780.22730.028*
C310.5969 (3)0.0686 (2)0.31667 (19)0.0252 (5)
H390.64130.10140.37750.030*
C320.4506 (2)0.01678 (18)0.31639 (18)0.0209 (5)
H400.39680.01650.37790.025*
O70.7267 (3)0.16188 (17)0.1909 (2)0.0380 (5)
H410.692 (4)0.118 (3)0.210 (3)0.057 (14)*
H420.801 (6)0.140 (4)0.184 (4)0.09 (2)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ru10.01145 (8)0.01374 (9)0.00713 (8)0.00183 (6)0.00078 (6)0.00255 (6)
Ru20.01091 (8)0.01144 (8)0.00635 (8)0.00144 (6)0.00127 (6)0.00143 (6)
N10.0169 (9)0.0137 (9)0.0129 (9)0.0026 (7)0.0004 (7)0.0031 (7)
O10.0196 (7)0.0160 (8)0.0118 (7)0.0024 (6)0.0025 (6)0.0049 (6)
N20.0114 (8)0.0179 (9)0.0135 (9)0.0022 (7)0.0032 (7)0.0022 (7)
O20.0133 (7)0.0207 (8)0.0105 (7)0.0028 (6)0.0003 (6)0.0022 (6)
N30.0170 (9)0.0157 (9)0.0068 (8)0.0040 (7)0.0002 (7)0.0011 (7)
O30.0137 (7)0.0172 (8)0.0114 (7)0.0043 (6)0.0002 (6)0.0029 (6)
N40.0142 (8)0.0136 (9)0.0120 (9)0.0006 (7)0.0030 (7)0.0012 (7)
O40.0149 (7)0.0118 (7)0.0104 (7)0.0010 (6)0.0026 (5)0.0021 (6)
O50.0216 (8)0.0178 (9)0.0102 (8)0.0004 (7)0.0016 (6)0.0020 (6)
O60.0189 (8)0.0249 (9)0.0119 (8)0.0052 (7)0.0019 (6)0.0054 (7)
C10.0133 (10)0.0169 (11)0.0141 (11)0.0037 (8)0.0009 (8)0.0044 (8)
C20.0262 (12)0.0199 (12)0.0210 (12)0.0037 (10)0.0015 (9)0.0094 (10)
C30.0141 (10)0.0142 (10)0.0132 (10)0.0035 (8)0.0006 (8)0.0045 (8)
C40.0142 (10)0.0226 (12)0.0186 (12)0.0037 (9)0.0026 (8)0.0020 (9)
C50.0157 (10)0.0099 (10)0.0116 (10)0.0012 (8)0.0023 (8)0.0027 (8)
C60.0219 (11)0.0236 (12)0.0161 (11)0.0104 (9)0.0045 (9)0.0018 (9)
C70.0132 (9)0.0133 (10)0.0105 (10)0.0039 (8)0.0029 (7)0.0007 (8)
C80.0221 (11)0.0115 (10)0.0193 (12)0.0011 (9)0.0023 (9)0.0030 (9)
B10.0143 (11)0.0138 (11)0.0142 (12)0.0040 (9)0.0009 (9)0.0019 (9)
C90.0122 (9)0.0127 (10)0.0164 (11)0.0011 (8)0.0000 (8)0.0044 (8)
C100.0195 (11)0.0161 (11)0.0190 (12)0.0045 (9)0.0003 (9)0.0029 (9)
C110.0235 (11)0.0232 (12)0.0200 (12)0.0054 (10)0.0060 (9)0.0075 (10)
C120.0265 (12)0.0221 (12)0.0165 (12)0.0021 (10)0.0037 (9)0.0022 (9)
C130.0219 (11)0.0170 (11)0.0197 (12)0.0025 (9)0.0003 (9)0.0004 (9)
C140.0152 (10)0.0150 (11)0.0201 (12)0.0028 (8)0.0018 (8)0.0036 (9)
C150.0144 (10)0.0137 (10)0.0131 (10)0.0022 (8)0.0051 (8)0.0005 (8)
C160.0187 (10)0.0176 (11)0.0174 (11)0.0029 (9)0.0014 (9)0.0037 (9)
C170.0261 (12)0.0137 (11)0.0244 (13)0.0030 (9)0.0121 (10)0.0008 (9)
C180.0263 (12)0.0240 (12)0.0218 (12)0.0156 (10)0.0109 (10)0.0054 (10)
C190.0210 (11)0.0317 (13)0.0166 (12)0.0123 (10)0.0030 (9)0.0007 (10)
C200.0158 (10)0.0196 (11)0.0171 (11)0.0058 (9)0.0020 (8)0.0035 (9)
C210.0152 (10)0.0141 (10)0.0153 (11)0.0064 (8)0.0008 (8)0.0015 (8)
C220.0171 (10)0.0184 (11)0.0176 (11)0.0052 (9)0.0000 (8)0.0043 (9)
C230.0208 (11)0.0142 (11)0.0229 (12)0.0049 (9)0.0051 (9)0.0046 (9)
C240.0345 (13)0.0156 (11)0.0166 (12)0.0104 (10)0.0060 (9)0.0050 (9)
C250.0310 (13)0.0248 (13)0.0218 (13)0.0148 (10)0.0026 (10)0.0081 (10)
C260.0183 (11)0.0223 (12)0.0207 (12)0.0060 (9)0.0009 (9)0.0059 (9)
C270.0152 (10)0.0131 (10)0.0176 (11)0.0039 (8)0.0015 (8)0.0038 (8)
C280.0150 (10)0.0161 (11)0.0188 (11)0.0040 (8)0.0016 (8)0.0047 (9)
C290.0173 (11)0.0186 (11)0.0244 (12)0.0047 (9)0.0021 (9)0.0083 (9)
C300.0141 (10)0.0189 (12)0.0348 (14)0.0002 (9)0.0050 (9)0.0046 (10)
C310.0221 (12)0.0228 (12)0.0270 (13)0.0025 (10)0.0076 (10)0.0026 (10)
C320.0188 (11)0.0222 (12)0.0197 (12)0.0040 (9)0.0008 (9)0.0012 (9)
O70.0340 (12)0.0217 (11)0.0604 (16)0.0027 (10)0.0099 (11)0.0142 (10)
Geometric parameters (Å, º) top
Ru1—Ru1i2.2823 (5)B1—C271.651 (3)
Ru1—O1i2.0444 (16)C9—C101.404 (3)
Ru1—O22.0451 (15)C9—C141.405 (3)
Ru1—O52.2921 (16)C10—C111.396 (3)
Ru1—N12.0266 (19)C10—H210.9500
Ru1—N2i2.0259 (18)C11—C121.382 (4)
Ru2—Ru2ii2.2742 (5)C11—H220.9500
Ru2—O3ii2.0457 (15)C12—C131.389 (3)
Ru2—O42.0509 (15)C12—H230.9500
Ru2—O62.3267 (16)C13—C141.385 (3)
Ru2—N32.0223 (18)C13—H240.9500
Ru2—N4ii2.0299 (18)C14—H250.9500
N1—C11.297 (3)C15—C201.403 (3)
N1—H10.8800C15—C161.405 (3)
O1—C11.298 (3)C16—C171.385 (3)
N2—C31.301 (3)C16—H260.9500
N2—H20.8800C17—C181.388 (4)
O2—C31.296 (2)C17—H270.9500
N3—C51.306 (3)C18—C191.382 (4)
N3—H30.8800C18—H280.9500
O3—C51.285 (3)C19—C201.397 (3)
N4—C71.297 (3)C19—H290.9500
N4—H40.8800C20—H300.9500
O4—C71.300 (2)C21—C261.397 (3)
O5—H50.80 (3)C21—C221.408 (3)
O5—H60.82 (3)C22—C231.390 (3)
O6—H70.84 (3)C22—H310.9500
O6—H80.85 (4)C23—C241.390 (3)
C1—C21.496 (3)C23—H320.9500
C2—H90.9800C24—C251.389 (3)
C2—H100.9800C24—H330.9500
C2—H110.9800C25—C261.400 (3)
C3—C41.495 (3)C25—H340.9500
C4—H120.9800C26—H350.9500
C4—H130.9800C27—C321.403 (3)
C4—H140.9800C27—C281.403 (3)
C5—C61.498 (3)C28—C291.404 (3)
C6—H150.9800C28—H360.9500
C6—H160.9800C29—C301.387 (3)
C6—H170.9800C29—H370.9500
C7—C81.498 (3)C30—C311.388 (4)
C8—H180.9800C30—H380.9500
C8—H190.9800C31—C321.395 (3)
C8—H200.9800C31—H390.9500
B1—C91.640 (3)C32—H400.9500
B1—C211.643 (3)O7—H410.74 (4)
B1—C151.649 (3)O7—H420.70 (5)
N2i—Ru1—N190.70 (7)H18—C8—H19109.5
N2i—Ru1—O1i90.10 (7)C7—C8—H20109.5
N1—Ru1—O1i178.79 (6)H18—C8—H20109.5
N2i—Ru1—O2178.01 (7)H19—C8—H20109.5
N1—Ru1—O291.02 (7)C9—B1—C21106.72 (17)
O1i—Ru1—O288.17 (6)C9—B1—C15110.11 (18)
N2i—Ru1—Ru1i87.89 (5)C21—B1—C15110.96 (18)
N1—Ru1—Ru1i86.95 (5)C9—B1—C27110.13 (18)
O1i—Ru1—Ru1i92.16 (4)C21—B1—C27112.88 (18)
O2—Ru1—Ru1i91.19 (4)C15—B1—C27106.08 (17)
N2i—Ru1—O592.34 (7)C10—C9—C14115.2 (2)
N1—Ru1—O591.51 (7)C10—C9—B1125.6 (2)
O1i—Ru1—O589.38 (6)C14—C9—B1119.17 (19)
O2—Ru1—O588.63 (6)C11—C10—C9122.9 (2)
Ru1i—Ru1—O5178.45 (5)C11—C10—H21118.6
N3—Ru2—N4ii90.04 (7)C9—C10—H21118.6
N3—Ru2—O3ii178.57 (6)C12—C11—C10119.8 (2)
N4ii—Ru2—O3ii91.29 (7)C12—C11—H22120.1
N3—Ru2—O489.23 (7)C10—C11—H22120.1
N4ii—Ru2—O4179.05 (7)C11—C12—C13119.2 (2)
O3ii—Ru2—O489.44 (6)C11—C12—H23120.4
N3—Ru2—Ru2ii88.42 (5)C13—C12—H23120.4
N4ii—Ru2—Ru2ii87.66 (5)C14—C13—C12120.3 (2)
O3ii—Ru2—Ru2ii91.10 (4)C14—C13—H24119.9
O4—Ru2—Ru2ii91.72 (4)C12—C13—H24119.9
N3—Ru2—O696.60 (7)C13—C14—C9122.7 (2)
N4ii—Ru2—O693.83 (7)C13—C14—H25118.7
O3ii—Ru2—O683.85 (6)C9—C14—H25118.7
O4—Ru2—O686.84 (6)C20—C15—C16115.3 (2)
Ru2ii—Ru2—O6174.76 (5)C20—C15—B1125.9 (2)
C1—N1—Ru1123.34 (15)C16—C15—B1118.83 (19)
C1—N1—H1118.3C17—C16—C15123.2 (2)
Ru1—N1—H1118.3C17—C16—H26118.4
C1—O1—Ru1i117.14 (13)C15—C16—H26118.4
C3—N2—Ru1i122.41 (14)C16—C17—C18119.8 (2)
C3—N2—H2118.8C16—C17—H27120.1
Ru1i—N2—H2118.8C18—C17—H27120.1
C3—O2—Ru1118.19 (13)C19—C18—C17119.1 (2)
C5—N3—Ru2121.24 (15)C19—C18—H28120.4
C5—N3—H3119.4C17—C18—H28120.4
Ru2—N3—H3119.4C18—C19—C20120.3 (2)
C5—O3—Ru2ii117.91 (13)C18—C19—H29119.8
C7—N4—Ru2ii122.72 (14)C20—C19—H29119.8
C7—N4—H4118.6C19—C20—C15122.2 (2)
Ru2ii—N4—H4118.6C19—C20—H30118.9
C7—O4—Ru2117.48 (13)C15—C20—H30118.9
Ru1—O5—H5125 (2)C26—C21—C22115.0 (2)
Ru1—O5—H6114 (2)C26—C21—B1125.65 (19)
H5—O5—H6103 (3)C22—C21—B1119.36 (19)
Ru2—O6—H7120 (2)C23—C22—C21123.3 (2)
Ru2—O6—H8105 (2)C23—C22—H31118.4
H7—O6—H8104 (3)C21—C22—H31118.4
N1—C1—O1120.4 (2)C24—C23—C22120.0 (2)
N1—C1—C2122.9 (2)C24—C23—H32120.0
O1—C1—C2116.67 (19)C22—C23—H32120.0
C1—C2—H9109.5C25—C24—C23118.7 (2)
C1—C2—H10109.5C25—C24—H33120.6
H9—C2—H10109.5C23—C24—H33120.6
C1—C2—H11109.5C24—C25—C26120.2 (2)
H9—C2—H11109.5C24—C25—H34119.9
H10—C2—H11109.5C26—C25—H34119.9
O2—C3—N2120.23 (19)C21—C26—C25122.8 (2)
O2—C3—C4116.07 (19)C21—C26—H35118.6
N2—C3—C4123.70 (19)C25—C26—H35118.6
C3—C4—H12109.5C32—C27—C28115.34 (19)
C3—C4—H13109.5C32—C27—B1120.3 (2)
H12—C4—H13109.5C28—C27—B1124.22 (19)
C3—C4—H14109.5C27—C28—C29122.5 (2)
H12—C4—H14109.5C27—C28—H36118.7
H13—C4—H14109.5C29—C28—H36118.7
O3—C5—N3121.26 (19)C30—C29—C28120.0 (2)
O3—C5—C6116.99 (19)C30—C29—H37120.0
N3—C5—C6121.74 (19)C28—C29—H37120.0
C5—C6—H15109.5C29—C30—C31119.3 (2)
C5—C6—H16109.5C29—C30—H38120.4
H15—C6—H16109.5C31—C30—H38120.4
C5—C6—H17109.5C30—C31—C32119.8 (2)
H15—C6—H17109.5C30—C31—H39120.1
H16—C6—H17109.5C32—C31—H39120.1
N4—C7—O4120.34 (19)C31—C32—C27123.1 (2)
N4—C7—C8123.02 (19)C31—C32—H40118.5
O4—C7—C8116.64 (19)C27—C32—H40118.5
C7—C8—H18109.5H41—O7—H42107 (5)
C7—C8—H19109.5
N2i—Ru1—N1—C186.34 (18)C10—C9—C14—C130.3 (3)
O2—Ru1—N1—C192.65 (17)B1—C9—C14—C13179.0 (2)
Ru1i—Ru1—N1—C11.51 (17)C9—B1—C15—C20110.7 (2)
O5—Ru1—N1—C1178.70 (17)C21—B1—C15—C207.2 (3)
N1—Ru1—O2—C383.83 (16)C27—B1—C15—C20130.2 (2)
O1i—Ru1—O2—C395.27 (15)C9—B1—C15—C1670.0 (2)
Ru1i—Ru1—O2—C33.15 (15)C21—B1—C15—C16172.09 (18)
O5—Ru1—O2—C3175.31 (16)C27—B1—C15—C1649.2 (2)
N4ii—Ru2—N3—C584.89 (17)C20—C15—C16—C170.0 (3)
O4—Ru2—N3—C594.51 (16)B1—C15—C16—C17179.4 (2)
Ru2ii—Ru2—N3—C52.77 (16)C15—C16—C17—C180.4 (3)
O6—Ru2—N3—C5178.75 (16)C16—C17—C18—C190.6 (3)
N3—Ru2—O4—C790.74 (15)C17—C18—C19—C200.3 (3)
O3ii—Ru2—O4—C788.74 (15)C18—C19—C20—C150.1 (3)
Ru2ii—Ru2—O4—C72.34 (14)C16—C15—C20—C190.2 (3)
O6—Ru2—O4—C7172.61 (15)B1—C15—C20—C19179.1 (2)
Ru1—N1—C1—O11.5 (3)C9—B1—C21—C26131.0 (2)
Ru1—N1—C1—C2179.24 (16)C15—B1—C21—C26109.0 (2)
Ru1i—O1—C1—N10.5 (3)C27—B1—C21—C269.9 (3)
Ru1i—O1—C1—C2179.77 (15)C9—B1—C21—C2250.0 (3)
Ru1—O2—C3—N23.1 (3)C15—B1—C21—C2270.0 (2)
Ru1—O2—C3—C4176.50 (14)C27—B1—C21—C22171.10 (19)
Ru1i—N2—C3—O21.1 (3)C26—C21—C22—C231.6 (3)
Ru1i—N2—C3—C4178.46 (16)B1—C21—C22—C23177.5 (2)
Ru2ii—O3—C5—N31.6 (3)C21—C22—C23—C240.1 (4)
Ru2ii—O3—C5—C6177.33 (14)C22—C23—C24—C250.7 (3)
Ru2—N3—C5—O33.2 (3)C23—C24—C25—C260.0 (4)
Ru2—N3—C5—C6175.65 (15)C22—C21—C26—C252.3 (3)
Ru2ii—N4—C7—O42.7 (3)B1—C21—C26—C25176.7 (2)
Ru2ii—N4—C7—C8177.39 (15)C24—C25—C26—C211.6 (4)
Ru2—O4—C7—N43.4 (3)C9—B1—C27—C32178.2 (2)
Ru2—O4—C7—C8176.71 (14)C21—B1—C27—C3262.6 (3)
C21—B1—C9—C10123.5 (2)C15—B1—C27—C3259.1 (3)
C15—B1—C9—C103.0 (3)C9—B1—C27—C282.8 (3)
C27—B1—C9—C10113.6 (2)C21—B1—C27—C28122.0 (2)
C21—B1—C9—C1455.7 (2)C15—B1—C27—C28116.3 (2)
C15—B1—C9—C14176.19 (18)C32—C27—C28—C290.1 (3)
C27—B1—C9—C1467.2 (2)B1—C27—C28—C29175.5 (2)
C14—C9—C10—C110.8 (3)C27—C28—C29—C300.8 (4)
B1—C9—C10—C11178.5 (2)C28—C29—C30—C310.5 (4)
C9—C10—C11—C120.6 (4)C29—C30—C31—C320.5 (4)
C10—C11—C12—C130.1 (4)C30—C31—C32—C271.3 (4)
C11—C12—C13—C140.6 (3)C28—C27—C32—C310.9 (3)
C12—C13—C14—C90.4 (3)B1—C27—C32—C31176.7 (2)
Symmetry codes: (i) x+1, y+1, z; (ii) x+1, y+1, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O5—H5···O40.80 (3)2.05 (3)2.847 (2)174 (3)
O5—H6···O70.82 (3)1.88 (4)2.687 (3)166 (3)
O6—H7···O20.84 (3)1.95 (3)2.787 (2)170 (3)
N1—H1···O70.882.313.108 (3)151
N3—H3···O1i0.882.153.021 (2)172
Symmetry code: (i) x+1, y+1, z.
 

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