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The title complex, [Ru(C12H8N3)(C10H8N2)2]ClO4·CH3CN·H2O, was grown by diethyl ether diffusion into an acetonitrile solutionfrom acetonitrile at room temperature. The RuII ion is in a distorted octa­hedral environment coordinated by two 2,2'-bipyridine (bpy) and one deprotonated 2-(2-pyrid­yl)benz­imidazole (PIB) ligand. Charge is balanced by a perchlorate counter-ion. The free water mol­ecule links an O atom of the perchlorate ion and the uncoordinated N atom of the ligand PIB by hydrogen bond.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806005459/om6290sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806005459/om6290Isup2.hkl
Contains datablock I

CCDC reference: 601229

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.004 Å
  • R factor = 0.033
  • wR factor = 0.096
  • Data-to-parameter ratio = 16.1

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature . 293 K PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for C34 PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 2
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 5 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1999); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1998); software used to prepare material for publication: SHELXTL.

Bis(2,2'-bipyridine)[2-(2-pyridyl)-1H-benzimidazol-1-yl]ruthenium(II) perchlorate acetonitrile solvate monohydrate top
Crystal data top
[Ru(C12H8N3)(C10H8N2)2]ClO4·C2H3N·H2OF(000) = 1560
Mr = 766.18Dx = 1.528 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 724 reflections
a = 9.5382 (16) Åθ = 1.7–27°
b = 13.749 (2) ŵ = 0.61 mm1
c = 25.434 (4) ÅT = 293 K
β = 93.214 (3)°Block, red
V = 3330.2 (9) Å30.50 × 0.30 × 0.26 mm
Z = 4
Data collection top
Bruker SMART APEX CCD area-detector
diffractometer
7254 independent reflections
Radiation source: fine-focus sealed tube6251 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.017
φ and ω scansθmax = 27.0°, θmin = 1.7°
Absorption correction: multi-scan
ψ scan (North et al., 1968)
h = 129
Tmin = 0.752, Tmax = 0.858k = 1716
21799 measured reflectionsl = 2932
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) = 0.096H atoms treated by a mixture of independent and constrained refinement
S = 1.02 w = 1/[σ2(Fo2) + (0.0555P)2 + 1.9135P]
where P = (Fo2 + 2Fc2)/3
7254 reflections(Δ/σ)max = 0.002
451 parametersΔρmax = 0.88 e Å3
0 restraintsΔρmin = 0.56 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
Ru10.285412 (18)0.351170 (13)0.381816 (7)0.03549 (7)
N10.1964 (2)0.44237 (15)0.32507 (8)0.0431 (4)
N20.21976 (19)0.46337 (14)0.42680 (8)0.0393 (4)
N30.1137 (2)0.27042 (14)0.40042 (7)0.0397 (4)
N40.3702 (2)0.26537 (14)0.44151 (7)0.0386 (4)
N50.3598 (2)0.24974 (15)0.32929 (7)0.0428 (4)
N60.4741 (2)0.41308 (14)0.36343 (7)0.0383 (4)
N70.6683 (2)0.40060 (17)0.31545 (8)0.0485 (5)
N80.6034 (6)1.0414 (4)0.38414 (19)0.1382 (19)
C10.1846 (3)0.4255 (2)0.27299 (10)0.0565 (7)
H10.20340.36330.26080.068*
C20.1456 (3)0.4971 (3)0.23685 (12)0.0705 (9)
H20.13750.48310.20100.085*
C30.1189 (3)0.5891 (3)0.25464 (13)0.0707 (9)
H30.09510.63860.23090.085*
C40.1277 (3)0.6077 (2)0.30788 (13)0.0600 (7)
H40.10940.66960.32050.072*
C50.1641 (2)0.53277 (19)0.34257 (10)0.0463 (6)
C60.1697 (2)0.54279 (18)0.40009 (10)0.0439 (5)
C70.1249 (3)0.6244 (2)0.42669 (13)0.0599 (7)
H70.09160.67860.40800.072*
C80.1301 (3)0.6246 (2)0.48075 (14)0.0653 (8)
H80.10070.67890.49890.078*
C90.1791 (3)0.5440 (2)0.50768 (12)0.0597 (7)
H90.18290.54290.54430.072*
C100.2224 (3)0.4654 (2)0.47986 (10)0.0487 (6)
H100.25500.41080.49840.058*
C110.0168 (3)0.2786 (2)0.37807 (11)0.0501 (6)
H110.03420.32560.35230.060*
C120.1258 (3)0.2198 (2)0.39198 (12)0.0584 (7)
H120.21450.22620.37520.070*
C130.1018 (3)0.1519 (2)0.43079 (13)0.0591 (7)
H130.17420.11190.44090.071*
C140.0306 (3)0.14337 (18)0.45475 (12)0.0521 (6)
H140.04810.09830.48160.062*
C150.1374 (3)0.20231 (16)0.43863 (9)0.0398 (5)
C160.2833 (3)0.19682 (17)0.46024 (9)0.0410 (5)
C170.3334 (3)0.12798 (19)0.49652 (11)0.0545 (7)
H170.27340.08100.50900.065*
C180.4732 (3)0.1297 (2)0.51402 (12)0.0595 (7)
H180.50870.08300.53760.071*
C190.5586 (3)0.2009 (2)0.49633 (11)0.0559 (7)
H190.65220.20460.50860.067*
C200.5046 (3)0.2671 (2)0.46014 (10)0.0493 (6)
H200.56350.31510.44810.059*
C210.2961 (3)0.1660 (2)0.31373 (11)0.0542 (6)
H210.21220.14910.32830.065*
C220.3498 (4)0.1048 (2)0.27743 (12)0.0646 (8)
H220.30200.04830.26720.077*
C230.4754 (4)0.1278 (2)0.25625 (13)0.0678 (8)
H230.51300.08730.23140.081*
C240.5448 (3)0.2116 (2)0.27234 (11)0.0568 (7)
H240.63050.22790.25890.068*
C250.4844 (3)0.27110 (18)0.30886 (9)0.0431 (5)
C260.5466 (3)0.36212 (17)0.32839 (9)0.0412 (5)
C270.6756 (3)0.48499 (19)0.34430 (10)0.0449 (5)
C280.7784 (3)0.5583 (2)0.34614 (12)0.0587 (7)
H280.85870.55260.32720.070*
C290.7567 (3)0.6387 (2)0.37671 (13)0.0624 (8)
H290.82300.68830.37820.075*
C300.6369 (3)0.6475 (2)0.40573 (13)0.0578 (7)
H300.62560.70300.42600.069*
C310.5352 (3)0.57618 (18)0.40497 (10)0.0479 (6)
H310.45610.58240.42450.057*
C320.5551 (2)0.49457 (17)0.37391 (9)0.0402 (5)
C330.5278 (9)0.8889 (4)0.3328 (3)0.152 (3)
H33A0.44580.86210.34750.229*
H33B0.60200.84160.33490.229*
H33C0.50650.90570.29660.229*
C340.5717 (6)0.9748 (5)0.36177 (19)0.1027 (14)
Cl10.11068 (15)0.90459 (7)0.39178 (4)0.0921 (3)
O10.1614 (6)0.9146 (4)0.44105 (15)0.180 (2)
O20.1137 (5)0.9863 (2)0.36069 (13)0.1294 (13)
O30.0178 (8)0.8739 (7)0.3936 (4)0.358 (7)
O40.1813 (13)0.8336 (3)0.3695 (3)0.311 (6)
O1W0.8817 (3)0.3278 (2)0.25351 (13)0.0860 (8)
H1WA0.878 (5)0.345 (3)0.2259 (19)0.092 (17)*
H1WB0.801 (10)0.365 (5)0.265 (3)0.23 (4)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ru10.03638 (11)0.03708 (11)0.03294 (11)0.00400 (7)0.00132 (7)0.00221 (7)
N10.0399 (10)0.0502 (11)0.0387 (10)0.0101 (9)0.0020 (8)0.0103 (9)
N20.0344 (9)0.0410 (10)0.0426 (10)0.0032 (8)0.0015 (8)0.0010 (8)
N30.0406 (10)0.0409 (10)0.0377 (10)0.0052 (8)0.0028 (8)0.0006 (8)
N40.0417 (10)0.0383 (10)0.0356 (9)0.0006 (8)0.0018 (8)0.0000 (7)
N50.0514 (12)0.0408 (10)0.0362 (10)0.0054 (9)0.0012 (8)0.0016 (8)
N60.0377 (10)0.0398 (10)0.0376 (10)0.0045 (8)0.0030 (8)0.0013 (8)
N70.0420 (11)0.0573 (13)0.0471 (12)0.0043 (9)0.0087 (9)0.0005 (10)
N80.144 (4)0.167 (5)0.102 (3)0.054 (4)0.010 (3)0.002 (3)
C10.0587 (16)0.0686 (18)0.0417 (13)0.0129 (13)0.0033 (12)0.0074 (12)
C20.0647 (19)0.100 (3)0.0450 (15)0.0166 (18)0.0073 (13)0.0246 (16)
C30.0576 (18)0.082 (2)0.071 (2)0.0082 (16)0.0045 (15)0.0403 (18)
C40.0512 (15)0.0577 (16)0.0708 (19)0.0035 (13)0.0002 (13)0.0254 (14)
C50.0349 (11)0.0485 (14)0.0553 (14)0.0064 (10)0.0008 (10)0.0148 (11)
C60.0341 (11)0.0419 (12)0.0557 (14)0.0021 (9)0.0019 (10)0.0058 (10)
C70.0559 (17)0.0429 (14)0.080 (2)0.0037 (12)0.0003 (14)0.0003 (13)
C80.0625 (18)0.0565 (17)0.077 (2)0.0058 (14)0.0060 (15)0.0196 (15)
C90.0602 (17)0.0662 (18)0.0528 (16)0.0016 (14)0.0044 (13)0.0130 (13)
C100.0504 (14)0.0534 (15)0.0423 (13)0.0002 (11)0.0024 (11)0.0015 (11)
C110.0432 (13)0.0560 (15)0.0504 (14)0.0058 (11)0.0023 (11)0.0045 (11)
C120.0421 (14)0.0674 (18)0.0654 (18)0.0096 (12)0.0013 (12)0.0052 (14)
C130.0513 (16)0.0551 (16)0.0724 (19)0.0170 (12)0.0164 (14)0.0028 (13)
C140.0585 (16)0.0421 (13)0.0568 (16)0.0067 (11)0.0133 (13)0.0041 (11)
C150.0469 (13)0.0333 (11)0.0396 (11)0.0024 (9)0.0073 (10)0.0032 (9)
C160.0486 (13)0.0347 (11)0.0396 (12)0.0015 (10)0.0034 (10)0.0011 (9)
C170.0717 (19)0.0402 (13)0.0513 (15)0.0005 (12)0.0001 (13)0.0084 (11)
C180.0706 (19)0.0520 (16)0.0546 (16)0.0167 (13)0.0075 (14)0.0082 (12)
C190.0520 (15)0.0656 (17)0.0493 (15)0.0115 (13)0.0050 (12)0.0028 (13)
C200.0434 (13)0.0549 (15)0.0494 (14)0.0008 (11)0.0001 (11)0.0038 (11)
C210.0613 (17)0.0522 (15)0.0494 (15)0.0136 (12)0.0055 (12)0.0065 (12)
C220.082 (2)0.0522 (16)0.0593 (17)0.0108 (15)0.0038 (15)0.0161 (13)
C230.081 (2)0.0649 (18)0.0579 (18)0.0020 (16)0.0111 (16)0.0226 (14)
C240.0614 (17)0.0600 (17)0.0499 (15)0.0001 (13)0.0102 (12)0.0108 (12)
C250.0480 (13)0.0436 (13)0.0377 (12)0.0008 (10)0.0024 (10)0.0007 (9)
C260.0422 (12)0.0450 (13)0.0363 (11)0.0001 (10)0.0024 (9)0.0018 (9)
C270.0406 (12)0.0518 (14)0.0422 (12)0.0063 (10)0.0003 (10)0.0054 (10)
C280.0412 (14)0.0723 (19)0.0626 (17)0.0147 (13)0.0035 (12)0.0078 (14)
C290.0553 (16)0.0602 (18)0.071 (2)0.0227 (13)0.0062 (14)0.0067 (14)
C300.0604 (17)0.0498 (15)0.0620 (17)0.0108 (12)0.0087 (14)0.0028 (12)
C310.0461 (13)0.0480 (14)0.0493 (14)0.0058 (11)0.0003 (11)0.0035 (11)
C320.0390 (12)0.0426 (12)0.0385 (11)0.0055 (9)0.0037 (9)0.0059 (9)
C330.233 (8)0.100 (4)0.126 (5)0.005 (5)0.022 (5)0.009 (4)
C340.115 (4)0.124 (4)0.069 (3)0.012 (3)0.009 (2)0.012 (3)
Cl10.1599 (11)0.0578 (5)0.0584 (5)0.0160 (5)0.0032 (5)0.0038 (4)
O10.219 (5)0.237 (5)0.079 (2)0.078 (4)0.019 (3)0.019 (3)
O20.193 (4)0.089 (2)0.105 (2)0.030 (2)0.000 (2)0.0360 (18)
O30.186 (6)0.437 (12)0.435 (12)0.189 (7)0.128 (7)0.285 (11)
O40.660 (17)0.078 (3)0.221 (6)0.002 (6)0.240 (9)0.022 (3)
O1W0.0808 (18)0.105 (2)0.0742 (19)0.0063 (15)0.0240 (15)0.0007 (17)
Geometric parameters (Å, º) top
Ru1—N22.040 (2)C13—C141.376 (4)
Ru1—N42.0524 (19)C13—H130.9300
Ru1—N32.0554 (19)C14—C151.381 (3)
Ru1—N12.059 (2)C14—H140.9300
Ru1—N62.0680 (19)C15—C161.469 (3)
Ru1—N52.083 (2)C16—C171.388 (3)
N1—C11.343 (3)C17—C181.382 (4)
N1—C51.361 (3)C17—H170.9300
N2—C101.349 (3)C18—C191.366 (4)
N2—C61.359 (3)C18—H180.9300
N3—C111.344 (3)C19—C201.374 (4)
N3—C151.359 (3)C19—H190.9300
N4—C201.342 (3)C20—H200.9300
N4—C161.359 (3)C21—C221.369 (4)
N5—C211.351 (3)C21—H210.9300
N5—C251.356 (3)C22—C231.377 (5)
N6—C261.354 (3)C22—H220.9300
N6—C321.378 (3)C23—C241.380 (4)
N7—C261.334 (3)C23—H230.9300
N7—C271.372 (3)C24—C251.387 (4)
N8—C341.111 (6)C24—H240.9300
C1—C21.384 (4)C25—C261.460 (3)
C1—H10.9300C27—C281.405 (4)
C2—C31.373 (5)C27—C321.416 (3)
C2—H20.9300C28—C291.373 (4)
C3—C41.376 (5)C28—H280.9300
C3—H30.9300C29—C301.400 (5)
C4—C51.388 (4)C29—H290.9300
C4—H40.9300C30—C311.379 (4)
C5—C61.468 (4)C30—H300.9300
C6—C71.390 (4)C31—C321.391 (3)
C7—C81.373 (5)C31—H310.9300
C7—H70.9300C33—C341.443 (8)
C8—C91.371 (5)C33—H33A0.9600
C8—H80.9300C33—H33B0.9600
C9—C101.369 (4)C33—H33C0.9600
C9—H90.9300Cl1—O31.299 (6)
C10—H100.9300Cl1—O11.325 (4)
C11—C121.379 (4)Cl1—O41.331 (6)
C11—H110.9300Cl1—O21.375 (3)
C12—C131.369 (4)O1W—H1WA0.74 (5)
C12—H120.9300O1W—H1WB0.99 (9)
N2—Ru1—N498.07 (8)C14—C13—H13120.3
N2—Ru1—N390.33 (8)C13—C14—C15119.5 (3)
N4—Ru1—N378.76 (8)C13—C14—H14120.3
N2—Ru1—N178.77 (8)C15—C14—H14120.3
N4—Ru1—N1176.82 (8)N3—C15—C14121.4 (2)
N3—Ru1—N1100.84 (8)N3—C15—C16114.7 (2)
N2—Ru1—N696.54 (8)C14—C15—C16123.9 (2)
N4—Ru1—N695.29 (8)N4—C16—C17120.8 (2)
N3—Ru1—N6171.51 (8)N4—C16—C15114.6 (2)
N1—Ru1—N685.44 (8)C17—C16—C15124.6 (2)
N2—Ru1—N5172.88 (8)C18—C17—C16119.5 (3)
N4—Ru1—N587.44 (8)C18—C17—H17120.3
N3—Ru1—N595.19 (8)C16—C17—H17120.3
N1—Ru1—N595.74 (8)C19—C18—C17119.3 (3)
N6—Ru1—N578.37 (8)C19—C18—H18120.4
C1—N1—C5118.2 (2)C17—C18—H18120.4
C1—N1—Ru1126.5 (2)C18—C19—C20119.1 (3)
C5—N1—Ru1114.76 (16)C18—C19—H19120.4
C10—N2—C6118.1 (2)C20—C19—H19120.4
C10—N2—Ru1125.98 (17)N4—C20—C19122.7 (3)
C6—N2—Ru1115.96 (16)N4—C20—H20118.6
C11—N3—C15118.2 (2)C19—C20—H20118.6
C11—N3—Ru1126.05 (17)N5—C21—C22122.8 (3)
C15—N3—Ru1115.75 (15)N5—C21—H21118.6
C20—N4—C16118.5 (2)C22—C21—H21118.6
C20—N4—Ru1125.45 (17)C21—C22—C23119.2 (3)
C16—N4—Ru1115.81 (15)C21—C22—H22120.4
C21—N5—C25117.5 (2)C23—C22—H22120.4
C21—N5—Ru1126.50 (18)C22—C23—C24119.3 (3)
C25—N5—Ru1115.99 (16)C22—C23—H23120.3
C26—N6—C32104.28 (19)C24—C23—H23120.3
C26—N6—Ru1114.77 (15)C23—C24—C25118.7 (3)
C32—N6—Ru1140.91 (16)C23—C24—H24120.6
C26—N7—C27102.8 (2)C25—C24—H24120.6
N1—C1—C2122.4 (3)N5—C25—C24122.3 (2)
N1—C1—H1118.8N5—C25—C26113.8 (2)
C2—C1—H1118.8C24—C25—C26123.9 (2)
C3—C2—C1119.0 (3)N7—C26—N6116.2 (2)
C3—C2—H2120.5N7—C26—C25126.8 (2)
C1—C2—H2120.5N6—C26—C25117.1 (2)
C2—C3—C4119.5 (3)N7—C27—C28129.7 (2)
C2—C3—H3120.2N7—C27—C32110.2 (2)
C4—C3—H3120.2C28—C27—C32120.1 (3)
C3—C4—C5119.2 (3)C29—C28—C27118.0 (3)
C3—C4—H4120.4C29—C28—H28121.0
C5—C4—H4120.4C27—C28—H28121.0
N1—C5—C4121.5 (3)C28—C29—C30121.5 (3)
N1—C5—C6114.6 (2)C28—C29—H29119.3
C4—C5—C6123.9 (3)C30—C29—H29119.3
N2—C6—C7121.0 (2)C31—C30—C29121.7 (3)
N2—C6—C5114.5 (2)C31—C30—H30119.2
C7—C6—C5124.5 (2)C29—C30—H30119.2
C8—C7—C6119.6 (3)C30—C31—C32117.6 (3)
C8—C7—H7120.2C30—C31—H31121.2
C6—C7—H7120.2C32—C31—H31121.2
C9—C8—C7119.4 (3)N6—C32—C31132.3 (2)
C9—C8—H8120.3N6—C32—C27106.5 (2)
C7—C8—H8120.3C31—C32—C27121.2 (2)
C10—C9—C8119.0 (3)C34—C33—H33A109.5
C10—C9—H9120.5C34—C33—H33B109.5
C8—C9—H9120.5H33A—C33—H33B109.5
N2—C10—C9123.0 (3)C34—C33—H33C109.5
N2—C10—H10118.5H33A—C33—H33C109.5
C9—C10—H10118.5H33B—C33—H33C109.5
N3—C11—C12122.5 (3)N8—C34—C33178.9 (7)
N3—C11—H11118.8O3—Cl1—O1107.2 (5)
C12—C11—H11118.8O3—Cl1—O4106.1 (6)
C13—C12—C11119.1 (3)O1—Cl1—O4108.2 (5)
C13—C12—H12120.4O3—Cl1—O2109.6 (4)
C11—C12—H12120.4O1—Cl1—O2116.2 (3)
C12—C13—C14119.3 (3)O4—Cl1—O2109.1 (3)
C12—C13—H13120.3H1WA—O1W—H1WB97 (6)
N2—Ru1—N1—C1178.0 (2)C7—C8—C9—C100.3 (5)
N3—Ru1—N1—C189.9 (2)C6—N2—C10—C91.1 (4)
N6—Ru1—N1—C184.4 (2)Ru1—N2—C10—C9178.7 (2)
N5—Ru1—N1—C16.6 (2)C8—C9—C10—N20.3 (4)
N2—Ru1—N1—C510.95 (16)C15—N3—C11—C120.9 (4)
N3—Ru1—N1—C599.11 (16)Ru1—N3—C11—C12178.4 (2)
N6—Ru1—N1—C586.66 (16)N3—C11—C12—C131.5 (4)
N5—Ru1—N1—C5164.46 (16)C11—C12—C13—C140.4 (4)
N4—Ru1—N2—C106.9 (2)C12—C13—C14—C151.1 (4)
N3—Ru1—N2—C1071.8 (2)C11—N3—C15—C140.7 (3)
N1—Ru1—N2—C10172.8 (2)Ru1—N3—C15—C14179.95 (18)
N6—Ru1—N2—C10103.2 (2)C11—N3—C15—C16178.8 (2)
N4—Ru1—N2—C6172.86 (16)Ru1—N3—C15—C160.6 (2)
N3—Ru1—N2—C6108.45 (17)C13—C14—C15—N31.7 (4)
N1—Ru1—N2—C67.47 (16)C13—C14—C15—C16177.8 (2)
N2—Ru1—N3—C1180.4 (2)C20—N4—C16—C172.2 (3)
N4—Ru1—N3—C11178.5 (2)Ru1—N4—C16—C17173.00 (19)
N1—Ru1—N3—C111.7 (2)C20—N4—C16—C15178.4 (2)
N5—Ru1—N3—C1195.1 (2)Ru1—N4—C16—C156.4 (2)
N2—Ru1—N3—C15100.32 (16)N3—C15—C16—N44.6 (3)
N4—Ru1—N3—C152.16 (15)C14—C15—C16—N4175.9 (2)
N1—Ru1—N3—C15178.94 (16)N3—C15—C16—C17174.8 (2)
N5—Ru1—N3—C1584.19 (16)C14—C15—C16—C174.6 (4)
N2—Ru1—N4—C2091.7 (2)N4—C16—C17—C180.5 (4)
N3—Ru1—N4—C20179.5 (2)C15—C16—C17—C18179.8 (3)
N6—Ru1—N4—C205.7 (2)C16—C17—C18—C191.8 (4)
N5—Ru1—N4—C2083.7 (2)C17—C18—C19—C202.2 (4)
N2—Ru1—N4—C1693.49 (16)C16—N4—C20—C191.7 (4)
N3—Ru1—N4—C164.77 (16)Ru1—N4—C20—C19172.9 (2)
N6—Ru1—N4—C16169.11 (16)C18—C19—C20—N40.5 (4)
N5—Ru1—N4—C1691.04 (16)C25—N5—C21—C222.2 (4)
N4—Ru1—N5—C2183.2 (2)Ru1—N5—C21—C22177.5 (2)
N3—Ru1—N5—C214.7 (2)N5—C21—C22—C231.2 (5)
N1—Ru1—N5—C2196.7 (2)C21—C22—C23—C240.5 (5)
N6—Ru1—N5—C21179.1 (2)C22—C23—C24—C251.1 (5)
N4—Ru1—N5—C2597.05 (18)C21—N5—C25—C241.6 (4)
N3—Ru1—N5—C25175.51 (17)Ru1—N5—C25—C24178.2 (2)
N1—Ru1—N5—C2583.02 (18)C21—N5—C25—C26179.1 (2)
N6—Ru1—N5—C251.11 (17)Ru1—N5—C25—C261.1 (3)
N2—Ru1—N6—C26174.01 (16)C23—C24—C25—N50.1 (4)
N4—Ru1—N6—C2687.22 (17)C23—C24—C25—C26179.2 (3)
N1—Ru1—N6—C2695.89 (17)C27—N7—C26—N60.6 (3)
N5—Ru1—N6—C260.94 (16)C27—N7—C26—C25179.6 (2)
N2—Ru1—N6—C323.3 (3)C32—N6—C26—N71.3 (3)
N4—Ru1—N6—C3295.4 (2)Ru1—N6—C26—N7179.53 (17)
N1—Ru1—N6—C3281.4 (3)C32—N6—C26—C25178.9 (2)
N5—Ru1—N6—C32178.3 (3)Ru1—N6—C26—C250.7 (3)
C5—N1—C1—C22.1 (4)N5—C25—C26—N7179.5 (2)
Ru1—N1—C1—C2168.6 (2)C24—C25—C26—N71.2 (4)
N1—C1—C2—C30.6 (5)N5—C25—C26—N60.3 (3)
C1—C2—C3—C41.8 (5)C24—C25—C26—N6179.0 (2)
C2—C3—C4—C50.3 (4)C26—N7—C27—C28178.1 (3)
C1—N1—C5—C43.7 (4)C26—N7—C27—C320.3 (3)
Ru1—N1—C5—C4168.14 (19)N7—C27—C28—C29176.7 (3)
C1—N1—C5—C6175.6 (2)C32—C27—C28—C290.8 (4)
Ru1—N1—C5—C612.6 (3)C27—C28—C29—C300.6 (5)
C3—C4—C5—N12.5 (4)C28—C29—C30—C310.0 (5)
C3—C4—C5—C6176.8 (3)C29—C30—C31—C320.4 (4)
C10—N2—C6—C71.2 (3)C26—N6—C32—C31177.1 (3)
Ru1—N2—C6—C7178.59 (19)Ru1—N6—C32—C310.4 (4)
C10—N2—C6—C5177.2 (2)C26—N6—C32—C271.3 (2)
Ru1—N2—C6—C53.1 (3)Ru1—N6—C32—C27178.84 (19)
N1—C5—C6—N26.3 (3)C30—C31—C32—N6178.1 (3)
C4—C5—C6—N2174.4 (2)C30—C31—C32—C270.2 (4)
N1—C5—C6—C7172.0 (2)N7—C27—C32—N61.1 (3)
C4—C5—C6—C77.3 (4)C28—C27—C32—N6179.1 (2)
N2—C6—C7—C80.6 (4)N7—C27—C32—C31177.6 (2)
C5—C6—C7—C8177.6 (3)C28—C27—C32—C310.4 (4)
C6—C7—C8—C90.2 (5)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1W—H1WA···O4i0.74 (5)2.47 (5)3.153 (8)155 (4)
O1W—H1WB···N70.98 (9)1.92 (9)2.826 (4)153 (6)
Symmetry code: (i) x+1, y1/2, z+1/2.
 

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