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In the title compound, [RuCl2(C27H33O3P)(C6H6)]·CH2Cl2, the Ru—P bond distance is 2.2790 (4) Å, and the Ru—Cl bond distances are 2.4052 (4) and 2.4046 (4) Å. The title compound is the first reported structure containing tris(2-isopropyl­phenyl)phosphite as a ligand. The effective cone angle (θE) for the tris(2-isopropyl­phenyl) phosphite was calculated to be 160°.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806025256/hg2055sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806025256/hg2055Isup2.hkl
Contains datablock I

CCDC reference: 618213

Key indicators

  • Single-crystal X-ray study
  • T = 150 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.023
  • wR factor = 0.058
  • Data-to-parameter ratio = 21.8

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.03 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.28 Ratio PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Ru - Cl1 .. 5.07 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Ru - Cl2 .. 5.57 su 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 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 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 1 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: APEX2 (Bruker, 2005); cell refinement: SAINT-Plus (Bruker, 2004); data reduction: SAINT-Plus and XPREP (Bruker, 2004); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg & Putz, 2005); software used to prepare material for publication: WinGX (Farrugia, 1999).

(η6-Benzene)dichloro[tris(2-isopropylphenyl)phosphite]ruthenium(II) dichloromethane solvate top
Crystal data top
[RuCl2(C27H33O3P)(C6H6)]·CH2Cl2F(000) = 1584
Mr = 771.51Dx = 1.483 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 8690 reflections
a = 10.7593 (6) Åθ = 2.3–28.3°
b = 18.6163 (11) ŵ = 0.84 mm1
c = 17.5744 (10) ÅT = 150 K
β = 101.029 (2)°Cuboid, red
V = 3455.1 (3) Å30.3 × 0.28 × 0.19 mm
Z = 4
Data collection top
Bruker X8 APEX-II 4K Kappa-CCD
diffractometer
8585 independent reflections
Radiation source: fine-focus sealed tube7855 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.038
Detector resolution: 512 pixels mm-1θmax = 28.3°, θmin = 2.1°
ω and φ scansh = 1414
Absorption correction: multi-scan
(SADABS; Bruker, 2004)
k = 2424
Tmin = 0.786, Tmax = 0.856l = 2323
80414 measured reflections
Refinement top
Refinement on F20 restraints
Least-squares matrix: fullH-atom parameters constrained
R[F2 > 2σ(F2)] = 0.023 w = 1/[σ2(Fo2) + (0.021P)2 + 2.6184P]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.058(Δ/σ)max = 0.001
S = 1.06Δρmax = 0.78 e Å3
8585 reflectionsΔρmin = 0.88 e Å3
394 parameters
Special details top

Experimental. The intensity data was collected on a Bruker X8 Apex II 4 K Kappa CCD diffractometer using an exposure time of 10 s/frame. A total of 2539 frames were collected with a frame width of 0.5° covering up to θ = 28.28° with 100% completeness accomplished.

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Ru0.934199 (10)0.133029 (6)0.564731 (6)0.01389 (4)
P0.98307 (3)0.239182 (19)0.62799 (2)0.01357 (7)
Cl11.09269 (3)0.15674 (2)0.48827 (2)0.02059 (7)
Cl21.09729 (3)0.084531 (19)0.66431 (2)0.02110 (7)
O10.99838 (9)0.24282 (6)0.71995 (6)0.0170 (2)
C110.90528 (14)0.22618 (9)0.76374 (8)0.0202 (3)
C120.85013 (15)0.28331 (10)0.79695 (9)0.0254 (3)
C130.76432 (17)0.26453 (12)0.84406 (11)0.0376 (4)
H130.72390.30150.86750.045*
C140.73660 (19)0.19381 (14)0.85751 (11)0.0434 (5)
H140.67710.18290.88940.052*
C150.79477 (18)0.13866 (12)0.82485 (11)0.0363 (4)
H150.77580.090.83440.044*
C160.88143 (15)0.15512 (10)0.77787 (9)0.0254 (3)
H160.92360.11790.75580.03*
C10.89036 (17)0.35978 (10)0.78590 (10)0.0295 (4)
H10.89750.36570.73030.035*
C21.02144 (19)0.37333 (11)0.83578 (12)0.0396 (5)
H2A1.01770.36610.89050.059*
H2B1.04780.42280.8280.059*
H2C1.08270.33980.82070.059*
C30.7972 (2)0.41618 (12)0.80429 (13)0.0474 (5)
H3A0.71230.40570.77460.071*
H3B0.82390.46390.79020.071*
H3C0.79560.41510.85980.071*
O20.88195 (10)0.30373 (6)0.60637 (6)0.0183 (2)
C210.82545 (14)0.32286 (8)0.53041 (8)0.0181 (3)
C220.69948 (15)0.34536 (9)0.51827 (9)0.0234 (3)
C230.64245 (17)0.36115 (10)0.44172 (10)0.0301 (4)
H230.55630.37590.43090.036*
C240.70761 (18)0.35598 (10)0.38132 (10)0.0303 (4)
H240.66580.36610.32980.036*
C250.83365 (17)0.33608 (9)0.39616 (9)0.0262 (3)
H250.87940.33430.3550.031*
C260.89349 (15)0.31871 (8)0.47105 (9)0.0209 (3)
H260.97970.30420.48150.025*
C40.62668 (17)0.35303 (11)0.58369 (11)0.0317 (4)
H40.67890.33110.63120.038*
C50.4999 (2)0.31347 (15)0.56651 (15)0.0545 (6)
H5A0.44460.3360.52220.082*
H5B0.45970.31590.6120.082*
H5C0.51410.26310.55440.082*
C60.6079 (3)0.43192 (13)0.60049 (15)0.0548 (6)
H6A0.69040.45590.61260.082*
H6B0.56510.43620.64480.082*
H6C0.55590.45460.55490.082*
O31.11496 (9)0.27235 (5)0.61885 (6)0.0177 (2)
C311.20406 (14)0.31106 (8)0.67276 (9)0.0188 (3)
C321.21043 (16)0.38543 (9)0.66742 (10)0.0254 (3)
C331.30984 (18)0.41875 (10)0.71862 (11)0.0321 (4)
H331.31760.46950.71710.039*
C341.39626 (18)0.38061 (11)0.77075 (11)0.0345 (4)
H341.46270.40490.80430.041*
C351.38648 (16)0.30669 (11)0.77430 (10)0.0323 (4)
H351.44620.28010.81030.039*
C361.28938 (15)0.27160 (9)0.72526 (9)0.0239 (3)
H361.28150.22090.72770.029*
C71.12060 (19)0.42982 (9)0.60906 (12)0.0348 (4)
H71.05250.39720.58180.042*
C81.1902 (2)0.46085 (12)0.54837 (13)0.0469 (5)
H8A1.26330.48890.57430.07*
H8B1.13270.4920.51290.07*
H8C1.21930.42160.5190.07*
C91.0576 (2)0.48884 (11)0.64923 (15)0.0489 (5)
H9A1.00760.46690.68420.073*
H9B1.0020.51760.61010.073*
H9C1.1230.51980.67910.073*
C410.83491 (16)0.02524 (9)0.55413 (12)0.0333 (4)
H410.86280.02160.57080.04*
C420.84169 (15)0.04785 (10)0.48025 (11)0.0317 (4)
H420.87480.01690.4460.038*
C430.79892 (16)0.11759 (11)0.45596 (10)0.0311 (4)
H430.80920.13480.40670.037*
C440.74158 (15)0.16136 (9)0.50399 (12)0.0325 (4)
H440.70540.20610.48560.039*
C450.73806 (15)0.13846 (10)0.57974 (12)0.0336 (4)
H450.70260.16860.61360.04*
C460.78659 (17)0.07160 (10)0.60504 (11)0.0336 (4)
H460.78730.0570.65690.04*
C0.3830 (2)0.11900 (17)0.61087 (14)0.0572 (7)
H0A0.30780.09350.62220.069*
H0B0.35650.16810.59320.069*
Cl30.43873 (5)0.07392 (5)0.53697 (4)0.0675 (2)
Cl40.49854 (5)0.12445 (4)0.69600 (3)0.05209 (15)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ru0.01353 (6)0.01347 (6)0.01503 (6)0.00173 (4)0.00364 (4)0.00194 (4)
P0.01402 (16)0.01393 (16)0.01270 (16)0.00022 (12)0.00244 (12)0.00133 (12)
Cl10.02048 (16)0.02381 (17)0.01954 (17)0.00274 (13)0.00902 (13)0.00287 (13)
Cl20.02145 (16)0.02124 (17)0.02025 (17)0.00425 (13)0.00304 (13)0.00159 (13)
O10.0165 (5)0.0220 (5)0.0128 (5)0.0012 (4)0.0033 (4)0.0022 (4)
C110.0165 (6)0.0321 (8)0.0120 (6)0.0022 (6)0.0029 (5)0.0003 (6)
C120.0202 (7)0.0398 (9)0.0156 (7)0.0069 (6)0.0016 (6)0.0043 (6)
C130.0285 (9)0.0624 (13)0.0244 (9)0.0114 (9)0.0113 (7)0.0038 (9)
C140.0307 (9)0.0761 (16)0.0275 (9)0.0008 (10)0.0156 (8)0.0089 (10)
C150.0313 (9)0.0505 (12)0.0276 (9)0.0070 (8)0.0065 (7)0.0115 (8)
C160.0237 (8)0.0334 (9)0.0188 (7)0.0003 (6)0.0034 (6)0.0032 (6)
C10.0318 (9)0.0328 (9)0.0226 (8)0.0104 (7)0.0017 (7)0.0103 (7)
C20.0380 (10)0.0422 (11)0.0346 (10)0.0044 (8)0.0032 (8)0.0170 (8)
C30.0517 (13)0.0484 (12)0.0410 (11)0.0246 (10)0.0060 (9)0.0148 (10)
O20.0214 (5)0.0181 (5)0.0146 (5)0.0051 (4)0.0013 (4)0.0006 (4)
C210.0216 (7)0.0148 (6)0.0164 (7)0.0004 (5)0.0004 (5)0.0003 (5)
C220.0222 (7)0.0239 (7)0.0230 (8)0.0035 (6)0.0013 (6)0.0017 (6)
C230.0255 (8)0.0342 (9)0.0278 (9)0.0051 (7)0.0019 (7)0.0050 (7)
C240.0365 (9)0.0318 (9)0.0194 (8)0.0004 (7)0.0030 (7)0.0041 (7)
C250.0364 (9)0.0240 (8)0.0182 (7)0.0020 (7)0.0053 (6)0.0005 (6)
C260.0233 (7)0.0184 (7)0.0205 (7)0.0014 (6)0.0034 (6)0.0003 (6)
C40.0250 (8)0.0435 (10)0.0270 (9)0.0124 (7)0.0062 (7)0.0064 (7)
C50.0382 (11)0.0728 (17)0.0582 (15)0.0049 (11)0.0234 (11)0.0021 (13)
C60.0721 (16)0.0494 (13)0.0493 (13)0.0107 (12)0.0278 (12)0.0086 (11)
O30.0182 (5)0.0185 (5)0.0166 (5)0.0056 (4)0.0036 (4)0.0038 (4)
C310.0172 (6)0.0213 (7)0.0182 (7)0.0053 (5)0.0042 (5)0.0052 (6)
C320.0276 (8)0.0210 (7)0.0275 (8)0.0048 (6)0.0051 (6)0.0044 (6)
C330.0368 (9)0.0264 (8)0.0332 (9)0.0132 (7)0.0068 (8)0.0087 (7)
C340.0308 (9)0.0455 (11)0.0261 (9)0.0180 (8)0.0027 (7)0.0088 (8)
C350.0247 (8)0.0447 (10)0.0250 (9)0.0062 (7)0.0017 (7)0.0029 (8)
C360.0216 (7)0.0260 (8)0.0241 (8)0.0019 (6)0.0043 (6)0.0011 (6)
C70.0385 (10)0.0197 (8)0.0422 (11)0.0034 (7)0.0021 (8)0.0022 (7)
C80.0638 (14)0.0379 (11)0.0374 (11)0.0002 (10)0.0056 (10)0.0064 (9)
C90.0524 (13)0.0309 (10)0.0657 (15)0.0081 (9)0.0174 (11)0.0096 (10)
C410.0249 (8)0.0188 (8)0.0526 (12)0.0090 (6)0.0020 (8)0.0011 (7)
C420.0193 (7)0.0348 (9)0.0407 (10)0.0080 (7)0.0052 (7)0.0241 (8)
C430.0227 (8)0.0460 (10)0.0216 (8)0.0137 (7)0.0034 (6)0.0003 (7)
C440.0166 (7)0.0216 (8)0.0538 (12)0.0028 (6)0.0069 (7)0.0024 (8)
C450.0158 (7)0.0386 (10)0.0490 (11)0.0094 (7)0.0125 (7)0.0229 (8)
C460.0322 (9)0.0414 (10)0.0283 (9)0.0218 (8)0.0085 (7)0.0005 (8)
C0.0263 (10)0.101 (2)0.0446 (13)0.0016 (11)0.0074 (9)0.0114 (13)
Cl30.0337 (3)0.1178 (6)0.0528 (3)0.0203 (3)0.0128 (2)0.0360 (4)
Cl40.0398 (3)0.0828 (4)0.0343 (3)0.0159 (3)0.0085 (2)0.0005 (3)
Geometric parameters (Å, º) top
Ru—P2.2790 (4)C5—H5B0.98
Ru—Cl12.4052 (4)C5—H5C0.98
Ru—Cl22.4046 (4)C6—H6A0.98
P—O11.5942 (10)C6—H6B0.98
P—O31.5837 (10)C6—H6C0.98
P—O21.6167 (10)O3—C311.4101 (17)
O1—C111.4095 (17)C31—C361.382 (2)
C11—C161.379 (2)C31—C321.390 (2)
C11—C121.399 (2)C32—C331.404 (2)
C12—C131.397 (2)C32—C71.513 (2)
C12—C11.511 (3)C33—C341.372 (3)
C13—C141.380 (3)C33—H330.95
C13—H130.95C34—C351.382 (3)
C14—C151.383 (3)C34—H340.95
C14—H140.95C35—C361.384 (2)
C15—C161.393 (2)C35—H350.95
C15—H150.95C36—H360.95
C16—H160.95C7—C81.529 (3)
C1—C31.528 (2)C7—C91.532 (3)
C1—C21.532 (3)C7—H71
C1—H11C8—H8A0.98
C2—H2A0.98C8—H8B0.98
C2—H2B0.98C8—H8C0.98
C2—H2C0.98C9—H9A0.98
C3—H3A0.98C9—H9B0.98
C3—H3B0.98C9—H9C0.98
C3—H3C0.98C41—C421.380 (3)
O2—C211.4028 (17)C41—C461.412 (3)
C21—C261.386 (2)C41—H410.95
C21—C221.396 (2)C42—C431.416 (3)
C22—C231.399 (2)C42—H420.95
C22—C41.517 (2)C43—C441.399 (3)
C23—C241.383 (3)C43—H430.95
C23—H230.95C44—C451.405 (3)
C24—C251.382 (3)C44—H440.95
C24—H240.95C45—C461.389 (3)
C25—C261.388 (2)C45—H450.95
C25—H250.95C46—H460.95
C26—H260.95C—Cl31.746 (2)
C4—C61.519 (3)C—Cl41.755 (2)
C4—C51.529 (3)C—H0A0.99
C4—H41C—H0B0.99
C5—H5A0.98
P—Ru—Cl284.400 (13)C4—C5—H5B109.5
P—Ru—Cl189.504 (13)H5A—C5—H5B109.5
Cl2—Ru—Cl188.787 (14)C4—C5—H5C109.5
O3—P—O199.52 (5)H5A—C5—H5C109.5
O3—P—O2105.19 (6)H5B—C5—H5C109.5
O1—P—O298.11 (5)C4—C6—H6A109.5
O3—P—Ru114.60 (4)C4—C6—H6B109.5
O1—P—Ru120.05 (4)H6A—C6—H6B109.5
O2—P—Ru116.60 (4)C4—C6—H6C109.5
C11—O1—P126.71 (9)H6A—C6—H6C109.5
C16—C11—C12123.08 (15)H6B—C6—H6C109.5
C16—C11—O1119.03 (14)C31—O3—P129.67 (9)
C12—C11—O1117.61 (14)C36—C31—C32122.65 (14)
C13—C12—C11115.99 (17)C36—C31—O3117.15 (13)
C13—C12—C1123.35 (16)C32—C31—O3119.97 (14)
C11—C12—C1120.52 (14)C31—C32—C33115.98 (16)
C14—C13—C12121.94 (18)C31—C32—C7123.80 (15)
C14—C13—H13119C33—C32—C7120.18 (15)
C12—C13—H13119C34—C33—C32122.38 (17)
C13—C14—C15120.48 (17)C34—C33—H33118.8
C13—C14—H14119.8C32—C33—H33118.8
C15—C14—H14119.8C33—C34—C35119.84 (16)
C14—C15—C16119.35 (19)C33—C34—H34120.1
C14—C15—H15120.3C35—C34—H34120.1
C16—C15—H15120.3C34—C35—C36119.77 (17)
C11—C16—C15119.11 (17)C34—C35—H35120.1
C11—C16—H16120.4C36—C35—H35120.1
C15—C16—H16120.4C31—C36—C35119.37 (16)
C12—C1—C3113.85 (17)C31—C36—H36120.3
C12—C1—C2109.66 (15)C35—C36—H36120.3
C3—C1—C2109.58 (15)C32—C7—C8110.16 (17)
C12—C1—H1107.8C32—C7—C9111.14 (17)
C3—C1—H1107.8C8—C7—C9111.67 (16)
C2—C1—H1107.8C32—C7—H7107.9
C1—C2—H2A109.5C8—C7—H7107.9
C1—C2—H2B109.5C9—C7—H7107.9
H2A—C2—H2B109.5C7—C8—H8A109.5
C1—C2—H2C109.5C7—C8—H8B109.5
H2A—C2—H2C109.5H8A—C8—H8B109.5
H2B—C2—H2C109.5C7—C8—H8C109.5
C1—C3—H3A109.5H8A—C8—H8C109.5
C1—C3—H3B109.5H8B—C8—H8C109.5
H3A—C3—H3B109.5C7—C9—H9A109.5
C1—C3—H3C109.5C7—C9—H9B109.5
H3A—C3—H3C109.5H9A—C9—H9B109.5
H3B—C3—H3C109.5C7—C9—H9C109.5
C21—O2—P124.19 (9)H9A—C9—H9C109.5
C26—C21—C22122.61 (14)H9B—C9—H9C109.5
C26—C21—O2120.46 (13)C42—C41—C46120.13 (17)
C22—C21—O2116.94 (13)C42—C41—H41119.9
C21—C22—C23116.39 (15)C46—C41—H41119.9
C21—C22—C4122.66 (14)C41—C42—C43119.39 (16)
C23—C22—C4120.94 (15)C41—C42—H42120.3
C24—C23—C22122.01 (16)C43—C42—H42120.3
C24—C23—H23119C44—C43—C42120.51 (17)
C22—C23—H23119C44—C43—H43119.7
C25—C24—C23119.82 (16)C42—C43—H43119.7
C25—C24—H24120.1C43—C44—C45119.33 (16)
C23—C24—H24120.1C43—C44—H44120.3
C24—C25—C26120.12 (16)C45—C44—H44120.3
C24—C25—H25119.9C46—C45—C44119.90 (16)
C26—C25—H25119.9C46—C45—H45120.1
C21—C26—C25118.99 (15)C44—C45—H45120.1
C21—C26—H26120.5C45—C46—C41120.40 (17)
C25—C26—H26120.5C45—C46—H46119.8
C22—C4—C6110.22 (16)C41—C46—H46119.8
C22—C4—C5112.07 (17)Cl3—C—Cl4111.97 (13)
C6—C4—C5110.91 (18)Cl3—C—H0A109.2
C22—C4—H4107.8Cl4—C—H0A109.2
C6—C4—H4107.8Cl3—C—H0B109.2
C5—C4—H4107.8Cl4—C—H0B109.2
C4—C5—H5A109.5H0A—C—H0B107.9
Cl2—Ru—P—O371.81 (5)C4—C22—C23—C24178.66 (17)
Cl1—Ru—P—O317.02 (5)C22—C23—C24—C251.3 (3)
Cl2—Ru—P—O146.54 (5)C23—C24—C25—C262.4 (3)
Cl1—Ru—P—O1135.37 (5)C22—C21—C26—C251.4 (2)
Cl2—Ru—P—O2164.71 (5)O2—C21—C26—C25178.18 (13)
Cl1—Ru—P—O2106.46 (5)C24—C25—C26—C211.1 (2)
O3—P—O1—C11174.06 (12)C21—C22—C4—C6107.4 (2)
O2—P—O1—C1167.07 (12)C23—C22—C4—C672.3 (2)
Ru—P—O1—C1160.16 (13)C21—C22—C4—C5128.61 (19)
P—O1—C11—C1678.90 (17)C23—C22—C4—C551.7 (2)
P—O1—C11—C12107.07 (14)O1—P—O3—C3114.94 (13)
C16—C11—C12—C132.2 (2)O2—P—O3—C3186.24 (13)
O1—C11—C12—C13175.99 (14)Ru—P—O3—C31144.37 (11)
C16—C11—C12—C1173.58 (15)P—O3—C31—C3683.91 (16)
O1—C11—C12—C10.2 (2)P—O3—C31—C32101.50 (16)
C11—C12—C13—C140.6 (3)C36—C31—C32—C330.3 (2)
C1—C12—C13—C14175.11 (17)O3—C31—C32—C33173.97 (14)
C12—C13—C14—C150.6 (3)C36—C31—C32—C7178.24 (16)
C13—C14—C15—C160.3 (3)O3—C31—C32—C74.0 (2)
C12—C11—C16—C152.6 (2)C31—C32—C33—C340.3 (3)
O1—C11—C16—C15176.32 (14)C7—C32—C33—C34177.74 (18)
C14—C15—C16—C111.3 (3)C32—C33—C34—C350.4 (3)
C13—C12—C1—C321.6 (2)C33—C34—C35—C360.1 (3)
C11—C12—C1—C3162.90 (16)C32—C31—C36—C350.8 (2)
C13—C12—C1—C2101.54 (19)O3—C31—C36—C35173.67 (14)
C11—C12—C1—C273.93 (19)C34—C35—C36—C310.6 (3)
O3—P—O2—C2182.13 (12)C31—C32—C7—C8110.15 (19)
O1—P—O2—C21175.64 (11)C33—C32—C7—C867.7 (2)
Ru—P—O2—C2146.06 (12)C31—C32—C7—C9125.54 (19)
P—O2—C21—C2635.88 (18)C33—C32—C7—C956.6 (2)
P—O2—C21—C22143.75 (12)C46—C41—C42—C430.5 (2)
C26—C21—C22—C232.4 (2)C41—C42—C43—C444.8 (2)
O2—C21—C22—C23177.18 (14)C42—C43—C44—C456.3 (2)
C26—C21—C22—C4177.27 (16)C43—C44—C45—C462.7 (2)
O2—C21—C22—C43.1 (2)C44—C45—C46—C412.5 (2)
C21—C22—C23—C241.0 (3)C42—C41—C46—C454.1 (2)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C1—H1···O212.443.308 (2)145
C2—H2C···O10.982.573.149 (2)118
C4—H4···O212.362.851 (2)109
C7—H7···O312.472.938 (2)108
C16—H16···Cl20.952.763.5885 (17)146
C41—H41···Cl1i0.952.83.5863 (19)141
C42—H42···Cl2i0.952.763.6875 (17)164
C—H0A···Cl2ii0.992.523.442 (2)155
Symmetry codes: (i) x+2, y, z+1; (ii) x1, y, z.
Comparative geometrical parameters for selected [(η6-C6H6)RuCl2(L)] (L = ligand) complexes. top
LRu-L (Å)Ru-Cl1 (Å)Ru-Cl2 (Å)notes
P(2-iPr-C6H4)32.2790 (4)2.4052 (4)2.4046 (4)TW
Me2HPz2.122 (7)2.423 (1)2.410 (2)(i)
Me2HPz2.125 (7)2.417 (2)2.412 (2)(i)
PPh32.364 (1)2.412 (1)2.406 (2)(ii)
pta2.237 (4)2.4155 (18)s(iii)
PPh2MeIm2.3529 (10)2.4085 (11)2.4055 (10)(iv)
PPh2MeIm+2.3404 (14)2.4221 (15)2.398 (13)(iv)
Notes: TW = this work; Pz = pyrazole; pta = 1,3,5-triaza-7-phophaadamantane; s = generated by symmetry; MeIm = 1-methylimidazol-2-yl; MeIm+ = 1-methylimidazol-3-ium-2-yl. (i) Małecki et al. (2004). (ii) Elsegood & Tochner (1995). (iii) Horváth or Hórvath et al. (2004). (iv) Caballero et al. (2004).
 

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