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The title ruthenium complex, [RuCl2(C10H14)(C16H19P)], contains a monodentate (C4H9)PPh2 ligand coordinated by the P atom. Coordination about the metal centre is completed by a [eta]6-p-cymene ligand and two Cl atoms.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270100011896/qd0018sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270100011896/qd0018Isup2.hkl
Contains datablock I

CCDC reference: 152646

Comment top

The η6-arene complexes of RuII have shown promising results in catalytic hydrogenation of olefins. Furthermore, complexes of this type have been successfully employed in asymmetric olefin hydrogenation. The structure of (n-butyldiphenylphosphine)dichloro(η6-p-cymeme)ruthenium(II), (I), is presented here.

Refinement top

The H atoms were located on idealized positions and allowed to ride on the their parent C atoms, with a common isotropic displacement parameter (Uiso = 0.08 Å2).

Computing details top

Data collection: P3/V (Siemens, 1989); cell refinement: P3/V; data reduction: XDISK (Siemens, 1990); program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); software used to prepare material for publication: locally modified PARST95 (Nardelli, 1995) and SHELXL97.

(n-butyldiphenylphosphine)dichloro(η6-p-cymeme)ruthenium(II) top
Crystal data top
[RuCl2(C10H14)(C16H19P)]F(000) = 1128
Mr = 548.46Dx = 1.421 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
a = 10.574 (3) ÅCell parameters from 30 reflections
b = 12.983 (4) Åθ = 13.0–30.0°
c = 19.239 (6) ŵ = 0.89 mm1
β = 103.99 (2)°T = 293 K
V = 2562.8 (13) Å3Regular prismatic, red
Z = 40.5 × 0.2 × 0.14 mm
Data collection top
Siemens R3m/V
diffractometer
Rint = 0.017
Radiation source: fine-focus sealed tubeθmax = 25.0°, θmin = 1.9°
Graphite monochromatorh = 212
ω–2θ scansk = 015
4878 measured reflectionsl = 2222
4530 independent reflections3 standard reflections every 197 reflections
2393 reflections with I > 2σ(I) intensity decay: 2.3%
Refinement top
Refinement on F2Primary atom site location: Patterson
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.057Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.159H-atom parameters constrained
S = 0.86 w = 1/[σ2(Fo2) + (0.088P)2]
where P = (Fo2 + 2Fc2)/3
4530 reflections(Δ/σ)max < 0.001
265 parametersΔρmax = 1.38 e Å3
1 restraintΔρmin = 0.87 e Å3
Crystal data top
[RuCl2(C10H14)(C16H19P)]V = 2562.8 (13) Å3
Mr = 548.46Z = 4
Monoclinic, P21/nMo Kα radiation
a = 10.574 (3) ŵ = 0.89 mm1
b = 12.983 (4) ÅT = 293 K
c = 19.239 (6) Å0.5 × 0.2 × 0.14 mm
β = 103.99 (2)°
Data collection top
Siemens R3m/V
diffractometer
Rint = 0.017
4878 measured reflections3 standard reflections every 197 reflections
4530 independent reflections intensity decay: 2.3%
2393 reflections with I > 2σ(I)
Refinement top
R[F2 > 2σ(F2)] = 0.0571 restraint
wR(F2) = 0.159H-atom parameters constrained
S = 0.86Δρmax = 1.38 e Å3
4530 reflectionsΔρmin = 0.87 e Å3
265 parameters
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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Ru0.36886 (6)0.14112 (5)0.07271 (3)0.0397 (2)
Cl10.2865 (2)0.02495 (18)0.09697 (12)0.0593 (6)
Cl20.58256 (18)0.08679 (19)0.13848 (11)0.0561 (6)
C10.3060 (8)0.1089 (7)0.0442 (4)0.051 (2)
H10.28880.04610.06780.080*
C20.4300 (8)0.1490 (7)0.0308 (4)0.052 (2)
H20.49430.11350.04650.080*
C30.4616 (8)0.2434 (7)0.0064 (4)0.053 (2)
C40.3616 (8)0.2959 (7)0.0285 (4)0.049 (2)
H40.37940.35830.05270.080*
C50.2325 (8)0.2539 (7)0.0140 (4)0.052 (2)
H50.16760.28920.02930.080*
C60.2028 (7)0.1614 (7)0.0225 (4)0.051 (2)
C70.5983 (9)0.2839 (9)0.0186 (5)0.072 (3)
H70.65830.22690.03630.080*
C80.6274 (11)0.3690 (10)0.0727 (6)0.107 (4)
H8A0.71560.39180.07810.080*
H8B0.61630.34440.11790.080*
H8C0.56890.42550.05670.080*
C90.6214 (12)0.3190 (11)0.0530 (6)0.116 (5)
H9A0.60210.26340.08680.080*
H9B0.71080.33930.04660.080*
H9C0.56570.37650.07070.080*
C100.0655 (8)0.1153 (8)0.0400 (5)0.076 (3)
H10A0.06550.05150.06520.080*
H10B0.00590.16250.06950.080*
H10C0.03900.10310.00360.080*
P0.34635 (19)0.19204 (18)0.18645 (11)0.0422 (5)
C110.3936 (9)0.0960 (7)0.2563 (4)0.057 (2)
H11A0.33760.03640.24290.080*
H11B0.48190.07420.25760.080*
C120.3885 (11)0.1285 (9)0.3335 (5)0.084 (3)
H12A0.29920.14510.33360.080*
H12B0.44020.19040.34640.080*
C130.4395 (12)0.0441 (14)0.3917 (7)0.164 (5)
H13A0.42020.06330.43670.080*
H13B0.39850.02170.37650.080*
C140.5863 (12)0.0371 (14)0.4001 (7)0.164 (5)
H14A0.62220.01350.43580.080*
H14B0.62530.10290.41460.080*
H14C0.60380.01760.35520.080*
C150.4457 (7)0.3046 (7)0.2196 (4)0.048 (2)
C160.4017 (8)0.4034 (8)0.2023 (5)0.059 (2)
H160.31560.41280.17710.080*
C170.4802 (9)0.4894 (8)0.2210 (5)0.066 (3)
H170.44710.55510.20920.080*
C180.6089 (9)0.4753 (9)0.2575 (6)0.073 (3)
H180.66350.53180.27080.080*
C190.6548 (9)0.3788 (9)0.2736 (5)0.072 (3)
H190.74170.37010.29760.080*
C200.5765 (8)0.2921 (8)0.2556 (4)0.055 (2)
H200.61070.22670.26740.080*
C210.1812 (7)0.2253 (6)0.1924 (4)0.0425 (19)
C220.1550 (8)0.2904 (7)0.2448 (5)0.055 (2)
H220.22350.32250.27690.080*
C230.0273 (8)0.3079 (7)0.2495 (5)0.057 (2)
H230.01040.35210.28420.080*
C240.0722 (8)0.2598 (8)0.2030 (6)0.067 (3)
H240.15720.27120.20670.080*
C250.0508 (8)0.1940 (8)0.1501 (5)0.063 (3)
H250.12030.16190.11860.080*
C260.0773 (7)0.1770 (7)0.1450 (5)0.052 (2)
H260.09340.13330.10980.080*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ru0.0304 (3)0.0478 (4)0.0416 (4)0.0073 (3)0.0103 (2)0.0013 (4)
Cl10.0600 (14)0.0513 (13)0.0676 (15)0.0009 (11)0.0176 (11)0.0044 (12)
Cl20.0352 (11)0.0783 (16)0.0536 (13)0.0184 (11)0.0083 (9)0.0025 (12)
C10.050 (5)0.062 (6)0.040 (5)0.005 (4)0.010 (4)0.001 (4)
C20.051 (5)0.067 (6)0.039 (4)0.011 (5)0.014 (4)0.002 (5)
C30.050 (5)0.065 (6)0.045 (5)0.006 (5)0.017 (4)0.017 (5)
C40.042 (5)0.054 (5)0.051 (5)0.005 (4)0.013 (4)0.005 (4)
C50.038 (5)0.065 (6)0.053 (5)0.015 (4)0.012 (4)0.012 (5)
C60.036 (4)0.075 (7)0.039 (4)0.003 (4)0.006 (3)0.008 (5)
C70.051 (6)0.100 (9)0.067 (7)0.021 (6)0.019 (5)0.002 (6)
C80.079 (8)0.163 (13)0.080 (8)0.046 (9)0.019 (6)0.010 (9)
C90.097 (9)0.161 (13)0.101 (10)0.052 (9)0.048 (8)0.012 (9)
C100.039 (5)0.116 (9)0.066 (6)0.004 (5)0.000 (4)0.017 (6)
P0.0308 (10)0.0506 (13)0.0458 (12)0.0063 (10)0.0104 (9)0.0003 (11)
C110.058 (5)0.059 (6)0.060 (6)0.008 (5)0.024 (5)0.003 (5)
C120.077 (7)0.112 (9)0.065 (6)0.020 (7)0.022 (5)0.009 (7)
C130.172 (11)0.225 (13)0.075 (6)0.037 (13)0.011 (8)0.010 (8)
C140.172 (11)0.225 (13)0.075 (6)0.037 (13)0.011 (8)0.010 (8)
C150.037 (5)0.062 (6)0.047 (5)0.003 (4)0.014 (4)0.011 (4)
C160.043 (5)0.070 (6)0.066 (6)0.003 (5)0.019 (4)0.000 (5)
C170.052 (6)0.057 (6)0.086 (7)0.004 (5)0.014 (5)0.009 (5)
C180.053 (6)0.081 (8)0.089 (8)0.014 (6)0.025 (6)0.031 (7)
C190.031 (5)0.119 (10)0.066 (6)0.008 (6)0.011 (4)0.034 (7)
C200.040 (5)0.079 (7)0.045 (5)0.007 (5)0.012 (4)0.008 (5)
C210.037 (4)0.049 (5)0.046 (5)0.000 (4)0.019 (4)0.000 (4)
C220.048 (5)0.061 (6)0.060 (6)0.000 (4)0.021 (4)0.007 (5)
C230.049 (5)0.058 (6)0.070 (6)0.013 (5)0.029 (5)0.000 (5)
C240.035 (5)0.081 (7)0.092 (8)0.010 (5)0.031 (5)0.013 (6)
C250.025 (4)0.076 (6)0.086 (7)0.002 (4)0.010 (4)0.001 (6)
C260.032 (4)0.057 (6)0.069 (6)0.003 (4)0.016 (4)0.004 (4)
Geometric parameters (Å, º) top
Ru—C52.170 (8)P—C111.813 (9)
Ru—C42.176 (8)P—C151.822 (9)
Ru—C12.225 (8)P—C211.829 (7)
Ru—C62.225 (8)C11—C121.557 (12)
Ru—C32.228 (8)C12—C131.565 (17)
Ru—C22.241 (8)C13—C141.524 (5)
Ru—P2.352 (2)C15—C161.378 (12)
Ru—Cl12.413 (2)C15—C201.399 (11)
Ru—Cl22.413 (2)C16—C171.386 (12)
C1—C21.376 (11)C17—C181.385 (12)
C1—C61.432 (11)C18—C191.352 (14)
C2—C31.418 (12)C19—C201.390 (12)
C3—C41.408 (11)C21—C221.394 (10)
C3—C71.502 (12)C21—C261.394 (11)
C4—C51.433 (11)C22—C231.394 (11)
C5—C61.388 (12)C23—C241.357 (13)
C6—C101.530 (11)C24—C251.389 (12)
C7—C81.498 (13)C25—C261.399 (10)
C7—C91.526 (13)
C5—Ru—C438.5 (3)C2—C3—C7118.8 (8)
C5—Ru—C166.6 (3)C4—C3—Ru69.4 (5)
C4—Ru—C178.8 (3)C2—C3—Ru72.0 (5)
C5—Ru—C636.8 (3)C7—C3—Ru131.2 (6)
C4—Ru—C667.9 (3)C3—C4—C5120.4 (8)
C1—Ru—C637.5 (3)C3—C4—Ru73.3 (5)
C5—Ru—C368.2 (3)C5—C4—Ru70.5 (5)
C4—Ru—C337.3 (3)C6—C5—C4121.1 (8)
C1—Ru—C366.3 (3)C6—C5—Ru73.7 (5)
C6—Ru—C380.0 (3)C4—C5—Ru71.0 (5)
C5—Ru—C278.7 (3)C5—C6—C1117.6 (8)
C4—Ru—C266.5 (3)C5—C6—C10122.5 (8)
C1—Ru—C235.9 (3)C1—C6—C10119.9 (8)
C6—Ru—C266.6 (3)C5—C6—Ru69.5 (5)
C3—Ru—C237.0 (3)C1—C6—Ru71.2 (4)
C5—Ru—P95.2 (2)C10—C6—Ru130.8 (6)
C4—Ru—P95.8 (2)C8—C7—C3113.3 (8)
C1—Ru—P157.0 (2)C8—C7—C9110.8 (9)
C6—Ru—P119.7 (2)C3—C7—C9108.7 (8)
C3—Ru—P121.5 (3)C11—P—C15105.1 (4)
C2—Ru—P158.4 (3)C11—P—C21102.3 (4)
C5—Ru—Cl1118.6 (2)C15—P—C21105.5 (4)
C4—Ru—Cl1157.0 (2)C11—P—Ru115.1 (3)
C1—Ru—Cl189.6 (2)C15—P—Ru111.8 (3)
C6—Ru—Cl190.9 (2)C21—P—Ru115.9 (3)
C3—Ru—Cl1150.8 (3)C12—C11—P117.0 (7)
C2—Ru—Cl1114.1 (3)C11—C12—C13114.0 (10)
P—Ru—Cl187.06 (8)C14—C13—C12106.5 (12)
C5—Ru—Cl2152.9 (2)C16—C15—C20117.6 (8)
C4—Ru—Cl2114.5 (2)C16—C15—P122.0 (6)
C1—Ru—Cl2119.2 (2)C20—C15—P119.9 (7)
C6—Ru—Cl2156.7 (2)C15—C16—C17122.8 (9)
C3—Ru—Cl289.3 (2)C18—C17—C16118.6 (10)
C2—Ru—Cl292.6 (2)C19—C18—C17119.5 (10)
P—Ru—Cl283.51 (7)C18—C19—C20122.2 (9)
Cl1—Ru—Cl288.47 (8)C19—C20—C15119.2 (9)
C2—C1—C6121.7 (8)C22—C21—C26118.8 (7)
C2—C1—Ru72.7 (5)C22—C21—P123.2 (6)
C6—C1—Ru71.2 (4)C26—C21—P117.8 (6)
C1—C2—C3121.3 (8)C21—C22—C23120.8 (8)
C1—C2—Ru71.4 (5)C24—C23—C22119.3 (9)
C3—C2—Ru71.0 (4)C23—C24—C25121.9 (8)
C4—C3—C2117.9 (8)C24—C25—C26118.7 (8)
C4—C3—C7123.3 (9)C21—C26—C25120.4 (8)
C5—Ru—C1—C2103.6 (6)Ru—C5—C6—C154.3 (7)
C4—Ru—C1—C265.2 (5)C4—C5—C6—C10178.9 (8)
C6—Ru—C1—C2133.3 (8)Ru—C5—C6—C10126.0 (8)
C3—Ru—C1—C228.2 (5)C4—C5—C6—Ru55.1 (7)
P—Ru—C1—C2143.6 (5)C2—C1—C6—C51.2 (12)
Cl1—Ru—C1—C2134.8 (5)Ru—C1—C6—C553.4 (7)
Cl2—Ru—C1—C246.7 (6)C2—C1—C6—C10178.5 (8)
C5—Ru—C1—C629.7 (5)Ru—C1—C6—C10126.9 (7)
C4—Ru—C1—C668.1 (5)C2—C1—C6—Ru54.6 (7)
C3—Ru—C1—C6105.1 (6)C4—Ru—C6—C529.9 (5)
C2—Ru—C1—C6133.3 (8)C1—Ru—C6—C5130.6 (7)
P—Ru—C1—C610.2 (9)C3—Ru—C6—C566.7 (5)
Cl1—Ru—C1—C691.9 (5)C2—Ru—C6—C5102.9 (5)
Cl2—Ru—C1—C6179.9 (4)P—Ru—C6—C554.0 (5)
C6—C1—C2—C31.3 (12)Cl1—Ru—C6—C5141.1 (5)
Ru—C1—C2—C352.7 (7)Cl2—Ru—C6—C5130.7 (6)
C6—C1—C2—Ru54.0 (7)C5—Ru—C6—C1130.6 (7)
C5—Ru—C2—C165.4 (5)C4—Ru—C6—C1100.6 (5)
C4—Ru—C2—C1103.8 (6)C3—Ru—C6—C163.8 (5)
C6—Ru—C2—C128.9 (5)C2—Ru—C6—C127.7 (5)
C3—Ru—C2—C1134.0 (8)P—Ru—C6—C1175.4 (4)
P—Ru—C2—C1140.8 (5)Cl1—Ru—C6—C188.3 (5)
Cl1—Ru—C2—C151.0 (5)Cl2—Ru—C6—C10.2 (9)
Cl2—Ru—C2—C1140.5 (5)C5—Ru—C6—C10115.7 (10)
C5—Ru—C2—C368.6 (5)C4—Ru—C6—C10145.6 (9)
C4—Ru—C2—C330.2 (5)C1—Ru—C6—C10113.7 (11)
C1—Ru—C2—C3134.0 (8)C3—Ru—C6—C10177.6 (9)
C6—Ru—C2—C3105.1 (6)C2—Ru—C6—C10141.4 (10)
P—Ru—C2—C36.8 (9)P—Ru—C6—C1061.7 (9)
Cl1—Ru—C2—C3175.0 (4)Cl1—Ru—C6—C1025.4 (8)
Cl2—Ru—C2—C385.5 (5)Cl2—Ru—C6—C10113.5 (8)
C1—C2—C3—C40.9 (12)C4—C3—C7—C815.4 (13)
Ru—C2—C3—C453.8 (6)C2—C3—C7—C8166.2 (9)
C1—C2—C3—C7179.3 (8)Ru—C3—C7—C875.5 (12)
Ru—C2—C3—C7127.8 (8)C4—C3—C7—C9108.3 (11)
C1—C2—C3—Ru52.9 (7)C2—C3—C7—C970.1 (12)
C5—Ru—C3—C430.0 (5)Ru—C3—C7—C9160.9 (8)
C1—Ru—C3—C4103.0 (5)C5—Ru—P—C11158.8 (4)
C6—Ru—C3—C466.3 (5)C4—Ru—P—C11162.5 (4)
C2—Ru—C3—C4130.4 (7)C1—Ru—P—C11122.6 (7)
P—Ru—C3—C452.5 (5)C6—Ru—P—C11129.7 (4)
Cl1—Ru—C3—C4139.9 (5)C3—Ru—P—C11133.6 (4)
Cl2—Ru—C3—C4134.5 (5)C2—Ru—P—C11128.9 (7)
C5—Ru—C3—C2100.4 (5)Cl1—Ru—P—C1140.4 (3)
C4—Ru—C3—C2130.4 (7)Cl2—Ru—P—C1148.4 (3)
C1—Ru—C3—C227.4 (5)C5—Ru—P—C1581.4 (4)
C6—Ru—C3—C264.1 (5)C4—Ru—P—C1542.7 (4)
P—Ru—C3—C2177.1 (4)C1—Ru—P—C15117.7 (7)
Cl1—Ru—C3—C29.4 (8)C6—Ru—P—C15110.5 (4)
Cl2—Ru—C3—C295.1 (5)C3—Ru—P—C1513.8 (4)
C5—Ru—C3—C7146.7 (10)C2—Ru—P—C159.1 (7)
C4—Ru—C3—C7116.7 (11)Cl1—Ru—P—C15160.2 (3)
C1—Ru—C3—C7140.3 (10)Cl2—Ru—P—C1571.4 (3)
C6—Ru—C3—C7177.0 (10)C5—Ru—P—C2139.6 (4)
C2—Ru—C3—C7112.9 (11)C4—Ru—P—C2178.3 (4)
P—Ru—C3—C764.2 (10)C1—Ru—P—C213.3 (7)
Cl1—Ru—C3—C7103.4 (9)C6—Ru—P—C2110.5 (4)
Cl2—Ru—C3—C717.8 (9)C3—Ru—P—C21107.1 (4)
C2—C3—C4—C50.4 (12)C2—Ru—P—C21111.9 (6)
C7—C3—C4—C5178.8 (8)Cl1—Ru—P—C2178.9 (3)
Ru—C3—C4—C554.6 (7)Cl2—Ru—P—C21167.7 (3)
C2—C3—C4—Ru55.0 (7)C15—P—C11—C1252.9 (8)
C7—C3—C4—Ru126.6 (8)C21—P—C11—C1257.1 (8)
C5—Ru—C4—C3131.8 (8)Ru—P—C11—C12176.3 (6)
C1—Ru—C4—C365.5 (5)P—C11—C12—C13176.1 (8)
C6—Ru—C4—C3103.1 (5)C11—C12—C13—C1470.0 (15)
C2—Ru—C4—C330.0 (5)C11—P—C15—C16148.5 (7)
P—Ru—C4—C3137.2 (5)C21—P—C15—C1640.9 (8)
Cl1—Ru—C4—C3126.5 (6)Ru—P—C15—C1686.0 (7)
Cl2—Ru—C4—C351.7 (5)C11—P—C15—C2040.3 (7)
C1—Ru—C4—C566.3 (5)C21—P—C15—C20147.9 (6)
C6—Ru—C4—C528.7 (5)Ru—P—C15—C2085.2 (7)
C3—Ru—C4—C5131.8 (8)C20—C15—C16—C171.9 (13)
C2—Ru—C4—C5101.8 (5)P—C15—C16—C17173.3 (7)
P—Ru—C4—C591.0 (5)C15—C16—C17—C181.1 (14)
Cl1—Ru—C4—C55.3 (9)C16—C17—C18—C190.3 (15)
Cl2—Ru—C4—C5176.5 (4)C17—C18—C19—C200.8 (15)
C3—C4—C5—C60.4 (12)C18—C19—C20—C150.0 (14)
Ru—C4—C5—C656.4 (7)C16—C15—C20—C191.4 (12)
C3—C4—C5—Ru55.9 (7)P—C15—C20—C19172.9 (6)
C4—Ru—C5—C6132.0 (7)C11—P—C21—C2278.1 (8)
C1—Ru—C5—C630.3 (5)C15—P—C21—C2231.5 (8)
C3—Ru—C5—C6103.0 (5)Ru—P—C21—C22155.8 (6)
C2—Ru—C5—C665.8 (5)C11—P—C21—C2697.2 (7)
P—Ru—C5—C6135.1 (4)C15—P—C21—C26153.1 (7)
Cl1—Ru—C5—C645.6 (5)Ru—P—C21—C2628.8 (7)
Cl2—Ru—C5—C6139.0 (5)C26—C21—C22—C230.6 (13)
C1—Ru—C5—C4101.8 (5)P—C21—C22—C23175.9 (7)
C6—Ru—C5—C4132.0 (7)C21—C22—C23—C240.8 (14)
C3—Ru—C5—C429.1 (5)C22—C23—C24—C250.6 (15)
C2—Ru—C5—C466.2 (5)C23—C24—C25—C260.2 (15)
P—Ru—C5—C492.9 (5)C22—C21—C26—C250.1 (13)
Cl1—Ru—C5—C4177.7 (4)P—C21—C26—C25175.7 (7)
Cl2—Ru—C5—C46.9 (8)C24—C25—C26—C210.1 (14)
C4—C5—C6—C10.8 (12)

Experimental details

Crystal data
Chemical formula[RuCl2(C10H14)(C16H19P)]
Mr548.46
Crystal system, space groupMonoclinic, P21/n
Temperature (K)293
a, b, c (Å)10.574 (3), 12.983 (4), 19.239 (6)
β (°) 103.99 (2)
V3)2562.8 (13)
Z4
Radiation typeMo Kα
µ (mm1)0.89
Crystal size (mm)0.5 × 0.2 × 0.14
Data collection
DiffractometerSiemens R3m/V
diffractometer
Absorption correction
No. of measured, independent and
observed [I > 2σ(I)] reflections
4878, 4530, 2393
Rint0.017
(sin θ/λ)max1)0.596
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.057, 0.159, 0.86
No. of reflections4530
No. of parameters265
No. of restraints1
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)1.38, 0.87

Computer programs: P3/V (Siemens, 1989), P3/V, XDISK (Siemens, 1990), SHELXS97 (Sheldrick, 1990), SHELXL97 (Sheldrick, 1997), locally modified PARST95 (Nardelli, 1995) and SHELXL97.

Selected geometric parameters (Å, º) top
Ru—C52.170 (8)Ru—C22.241 (8)
Ru—C42.176 (8)Ru—P2.352 (2)
Ru—C12.225 (8)Ru—Cl12.413 (2)
Ru—C62.225 (8)Ru—Cl22.413 (2)
Ru—C32.228 (8)
P—Ru—Cl187.06 (8)Cl1—Ru—Cl288.47 (8)
P—Ru—Cl283.51 (7)
 

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