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The title compound, [Re2(μ-PEt2)2(CO)7{ax–C(Ph)OEt}] or [Re2(C9H10O)(C4H10P)2(CO)7], contains a carbene ligand with a Z configuration and a non-planar central Re2P2 ring.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536802002258/cf6148sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536802002258/cf6148Isup2.hkl
Contains datablock I

CCDC reference: 182575

Key indicators

  • Single-crystal X-ray study
  • T = 200 K
  • Mean [sigma](C-C) = 0.011 Å
  • R factor = 0.038
  • wR factor = 0.096
  • Data-to-parameter ratio = 20.2

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry








Comment top

The reaction of Re2(µ-PR2)2(CO)8 with nucleophilic lithium organyls LiR' leads to the salts Li(Re2(µ-PR2)2(CO)7{ax-C(R')O} which then can be converted to Fischer-type carbene complexes (Haupt et al., 1998a). The title compound, (I), with R = ethyl and E, R' = phenyl, is an axial monocarbene complex with a Re2P2 ring and slightly distorted octahedral coordination at both Re atoms. The C(Ph)OEt carbene group with a Z configuration is axially attached to Re2 with a ReC double-bond length of 2.098 (7) Å. The orientation of the ReCOEt group is parallel to the Re···Re vector with a Re···Re—C8—O8 torsion angle of -3.2 (6)°. The Re1—P bonds of 2.5154 (17) and 2.5122 (19) Å for P1 and P2, respectively, are slightly longer than those for Re2–P of 2.5024 (18) and 2.5023 (17) Å, and reflect the unsymmetrical monosubstitution of this compound. These distances are, on average, slightly shorter than the Re—P bonds of the related mono- and dicarbene complexes which have µ-PPh2-bridging ligands instead (Haupt et al., 1998b). The average values for the enclosed ring angles are Re—P—Re = 104.35 (6)° and P–Re–P = 75.43 (6)°. The Re2P2 ring is folded, with an ReP2/P2Re dihedral angle of 6.2 (1)°. This is a well known effect due to an intramolecular balance of unsymmetrical or sterically unfavourable substituted carbonyl complexes of this type (Haupt et al., 1998a,b; Flörke & Petters, 2001). The C—Re—Re—C torsion angles range from 0.2 (4) to 8.8 (4)° (absolute values), in accordance with the ecliptic carbonyl-ligand arrangements.

Experimental top

The title compound was obtained by reaction of Li(Re2(µ-PEt2)2(CO)7{C(Ph)O)} with OEt3BF4 in CHCl3 solution at room temperature. The synthesis of the precursor Li salt has been described earlier (Haupt et al., 1998a).

Refinement top

H atoms were placed at calculated positions, riding on the attached C atoms, with isotropic displacement parameters Uiso(H) = 1.2Ueq(C) [1.5Ueq(C) for methyl groups].

Computing details top

Data collection: XSCANS (Bruker, 1996); cell refinement: XSCANS; data reduction: SHELXTL (Bruker, 1998); program(s) used to solve structure: SHELXTL; program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Figures top
[Figure 1] Fig. 1. The molecular structure of (I) with H atoms omitted. Displacement ellipsoids are drawn at the 50% probability level.
Bis(µ-diethylphosphido)heptacarbonyl- α-ethoxybenzylidene-di-rhenium top
Crystal data top
[Re2(C9H10O)(C4H10P)2(CO)7]Z = 2
Mr = 880.82F(000) = 836
Triclinic, P1Dx = 1.994 Mg m3
a = 8.425 (2) ÅMo Kα radiation, λ = 0.71073 Å
b = 10.504 (1) ÅCell parameters from 29 reflections
c = 17.674 (4) Åθ = 7.8–23.7°
α = 73.04 (1)°µ = 8.40 mm1
β = 78.82 (1)°T = 200 K
γ = 88.59 (1)°Needle, colourless
V = 1466.8 (5) Å30.38 × 0.15 × 0.06 mm
Data collection top
Bruker P4
diffractometer
5086 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.023
Graphite monochromatorθmax = 27.5°, θmin = 2.5°
ω scansh = 101
Absorption correction: ψ scan
(North et al., 1968)
k = 1313
Tmin = 0.083, Tmax = 0.608l = 2222
8026 measured reflections3 standard reflections every 397 reflections
6665 independent reflections intensity decay: 1%
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)] = 0.038Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.096H-atom parameters constrained
S = 0.98 w = 1/[σ2(Fo2) + (0.0575P)2]
where P = (Fo2 + 2Fc2)/3
6665 reflections(Δ/σ)max < 0.001
330 parametersΔρmax = 0.94 e Å3
0 restraintsΔρmin = 0.82 e Å3
Crystal data top
[Re2(C9H10O)(C4H10P)2(CO)7]γ = 88.59 (1)°
Mr = 880.82V = 1466.8 (5) Å3
Triclinic, P1Z = 2
a = 8.425 (2) ÅMo Kα radiation
b = 10.504 (1) ŵ = 8.40 mm1
c = 17.674 (4) ÅT = 200 K
α = 73.04 (1)°0.38 × 0.15 × 0.06 mm
β = 78.82 (1)°
Data collection top
Bruker P4
diffractometer
5086 reflections with I > 2σ(I)
Absorption correction: ψ scan
(North et al., 1968)
Rint = 0.023
Tmin = 0.083, Tmax = 0.6083 standard reflections every 397 reflections
8026 measured reflections intensity decay: 1%
6665 independent reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0380 restraints
wR(F2) = 0.096H-atom parameters constrained
S = 0.98Δρmax = 0.94 e Å3
6665 reflectionsΔρmin = 0.82 e Å3
330 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.

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
Re10.00177 (3)0.37089 (3)0.358736 (14)0.02719 (10)
Re20.29648 (3)0.26519 (2)0.186324 (13)0.02267 (9)
P10.0457 (2)0.39188 (17)0.21057 (9)0.0229 (3)
P20.2345 (2)0.22693 (18)0.33571 (10)0.0265 (4)
C10.1543 (10)0.5263 (8)0.3305 (5)0.0409 (18)
O10.2431 (8)0.6143 (6)0.3136 (4)0.0615 (18)
C20.0091 (10)0.3383 (8)0.4742 (5)0.0415 (19)
O20.0171 (8)0.3213 (7)0.5422 (3)0.0628 (19)
C30.1901 (10)0.4838 (8)0.3595 (5)0.045 (2)
O30.3029 (8)0.5454 (7)0.3635 (5)0.073 (2)
C40.1455 (9)0.2136 (7)0.3829 (4)0.0339 (16)
O40.2281 (6)0.1207 (6)0.3990 (3)0.0450 (14)
C50.4216 (8)0.4263 (7)0.1823 (4)0.0291 (15)
O50.4946 (6)0.5173 (5)0.1794 (3)0.0405 (13)
C60.4908 (8)0.1617 (7)0.1847 (4)0.0292 (15)
O60.6060 (6)0.0997 (6)0.1838 (3)0.0462 (14)
C70.3244 (9)0.3250 (7)0.0684 (4)0.0335 (16)
O70.3471 (8)0.3634 (6)0.0003 (3)0.0541 (16)
C80.1666 (8)0.0945 (7)0.1907 (4)0.0265 (14)
O80.0338 (6)0.0492 (5)0.2426 (3)0.0371 (12)
C90.0559 (10)0.0722 (8)0.2430 (5)0.050 (2)
H9A0.10040.05450.19320.060*
H9B0.01850.14700.24500.060*
C100.1868 (11)0.1067 (9)0.3133 (5)0.053 (2)
H10A0.24260.18900.31590.080*
H10B0.26350.03450.30920.080*
H10C0.14230.11980.36220.080*
C110.2245 (8)0.0148 (7)0.1321 (4)0.0296 (15)
C120.1800 (10)0.0474 (8)0.0582 (4)0.0400 (18)
H120.10970.11880.04400.048*
C130.2379 (10)0.0239 (9)0.0043 (5)0.046 (2)
H130.20570.00240.04640.055*
C140.3422 (10)0.1259 (8)0.0244 (5)0.043 (2)
H140.38350.17360.01290.051*
C150.3859 (10)0.1583 (8)0.0976 (5)0.0416 (19)
H150.45690.22930.11120.050*
C160.3277 (9)0.0883 (7)0.1530 (4)0.0380 (17)
H160.35860.11120.20410.046*
C170.0751 (9)0.5669 (7)0.1445 (4)0.0317 (15)
H17A0.16750.60800.15700.038*
H17B0.10610.56490.08790.038*
C180.0674 (11)0.6565 (7)0.1501 (5)0.047 (2)
H18A0.15420.62610.12920.070*
H18B0.03340.74810.11820.070*
H18C0.10670.65330.20660.070*
C190.1352 (8)0.3378 (7)0.1830 (4)0.0313 (15)
H19A0.15990.24290.21360.038*
H19B0.22760.38950.20040.038*
C200.1223 (9)0.3529 (8)0.0934 (4)0.0398 (18)
H20A0.22110.31580.08520.060*
H20B0.02870.30510.07460.060*
H20C0.10900.44750.06280.060*
C210.4149 (8)0.2711 (9)0.3697 (4)0.0372 (18)
H21A0.50530.21650.35360.045*
H21B0.44630.36540.34040.045*
C220.3971 (11)0.2533 (10)0.4593 (4)0.056 (2)
H22A0.49980.27800.47040.084*
H22B0.36800.16000.48950.084*
H22C0.31200.31040.47600.084*
C230.1916 (9)0.0525 (7)0.3982 (4)0.0346 (16)
H23A0.16420.05090.45560.042*
H23B0.09490.01880.38500.042*
C240.3292 (10)0.0431 (8)0.3886 (5)0.049 (2)
H24A0.29550.13260.42440.074*
H24B0.42530.01240.40270.074*
H24C0.35480.04560.33260.074*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Re10.02897 (16)0.02844 (16)0.02476 (14)0.00114 (12)0.00087 (11)0.01157 (11)
Re20.02382 (14)0.02338 (15)0.02012 (13)0.00128 (10)0.00226 (10)0.00667 (10)
P10.0237 (8)0.0229 (8)0.0220 (7)0.0013 (7)0.0046 (6)0.0066 (6)
P20.0268 (8)0.0310 (9)0.0214 (7)0.0013 (7)0.0059 (7)0.0066 (7)
C10.044 (4)0.036 (4)0.041 (4)0.003 (4)0.004 (4)0.016 (3)
O10.071 (4)0.051 (4)0.060 (4)0.024 (4)0.006 (3)0.023 (3)
C20.044 (4)0.044 (5)0.037 (4)0.009 (4)0.000 (3)0.017 (3)
O20.079 (5)0.084 (5)0.027 (3)0.009 (4)0.002 (3)0.023 (3)
C30.039 (4)0.036 (4)0.056 (5)0.004 (4)0.001 (4)0.012 (4)
O30.046 (4)0.050 (4)0.111 (6)0.014 (3)0.012 (4)0.021 (4)
C40.029 (4)0.035 (4)0.032 (3)0.009 (3)0.000 (3)0.005 (3)
O40.037 (3)0.041 (3)0.052 (3)0.007 (3)0.003 (3)0.008 (3)
C50.022 (3)0.036 (4)0.029 (3)0.005 (3)0.006 (3)0.008 (3)
O50.038 (3)0.029 (3)0.051 (3)0.007 (2)0.005 (2)0.009 (2)
C60.028 (3)0.034 (4)0.025 (3)0.000 (3)0.006 (3)0.008 (3)
O60.031 (3)0.042 (3)0.063 (4)0.010 (3)0.006 (3)0.015 (3)
C70.037 (4)0.038 (4)0.025 (3)0.008 (3)0.003 (3)0.009 (3)
O70.073 (4)0.055 (4)0.026 (3)0.010 (3)0.005 (3)0.003 (2)
C80.031 (3)0.025 (3)0.024 (3)0.005 (3)0.008 (3)0.007 (2)
O80.037 (3)0.033 (3)0.041 (3)0.007 (2)0.003 (2)0.016 (2)
C90.040 (4)0.042 (5)0.069 (6)0.018 (4)0.001 (4)0.023 (4)
C100.055 (5)0.039 (5)0.060 (5)0.010 (4)0.002 (4)0.011 (4)
C110.030 (3)0.027 (3)0.033 (3)0.001 (3)0.002 (3)0.013 (3)
C120.046 (4)0.045 (5)0.040 (4)0.006 (4)0.014 (3)0.026 (3)
C130.047 (5)0.060 (5)0.038 (4)0.001 (4)0.003 (4)0.030 (4)
C140.046 (5)0.038 (4)0.047 (4)0.002 (4)0.010 (4)0.030 (4)
C150.046 (5)0.027 (4)0.054 (5)0.002 (3)0.001 (4)0.021 (3)
C160.046 (4)0.032 (4)0.037 (4)0.004 (3)0.006 (3)0.012 (3)
C170.039 (4)0.023 (3)0.031 (3)0.002 (3)0.011 (3)0.001 (3)
C180.060 (5)0.025 (4)0.054 (5)0.012 (4)0.011 (4)0.012 (3)
C190.027 (3)0.035 (4)0.033 (3)0.001 (3)0.006 (3)0.013 (3)
C200.037 (4)0.043 (4)0.043 (4)0.005 (4)0.014 (3)0.014 (3)
C210.028 (4)0.059 (5)0.031 (3)0.005 (4)0.012 (3)0.017 (3)
C220.051 (5)0.088 (7)0.034 (4)0.007 (5)0.015 (4)0.021 (4)
C230.041 (4)0.030 (4)0.027 (3)0.002 (3)0.005 (3)0.000 (3)
C240.052 (5)0.040 (5)0.045 (4)0.017 (4)0.007 (4)0.001 (4)
Geometric parameters (Å, º) top
Re1—C21.956 (8)C12—C131.387 (10)
Re1—C31.958 (9)C12—H120.950
Re1—C41.966 (8)C13—C141.377 (12)
Re1—C12.004 (8)C13—H130.950
Re1—P22.5122 (19)C14—C151.358 (11)
Re1—P12.5154 (17)C14—H140.950
Re2—C61.943 (7)C15—C161.399 (10)
Re2—C71.962 (7)C15—H150.950
Re2—C51.993 (7)C16—H160.950
Re2—C82.098 (7)C17—C181.513 (11)
Re2—P22.5023 (17)C17—H17A0.990
Re2—P12.5024 (18)C17—H17B0.990
P1—C191.837 (7)C18—H18A0.980
P1—C171.861 (6)C18—H18B0.980
P2—C231.846 (7)C18—H18C0.980
P2—C211.854 (7)C19—C201.529 (9)
C1—O11.136 (9)C19—H19A0.990
C2—O21.152 (9)C19—H19B0.990
C3—O31.139 (10)C20—H20A0.980
C4—O41.145 (9)C20—H20B0.980
C5—O51.132 (8)C20—H20C0.980
C6—O61.155 (8)C21—C221.518 (9)
C7—O71.130 (8)C21—H21A0.990
C8—O81.300 (8)C21—H21B0.990
C8—C111.517 (9)C22—H22A0.980
O8—C91.495 (9)C22—H22B0.980
C9—C101.455 (11)C22—H22C0.980
C9—H9A0.990C23—C241.532 (10)
C9—H9B0.990C23—H23A0.990
C10—H10A0.980C23—H23B0.990
C10—H10B0.980C24—H24A0.980
C10—H10C0.980C24—H24B0.980
C11—C121.374 (10)C24—H24C0.980
C11—C161.382 (10)
C2—Re1—C392.9 (4)C12—C11—C8120.7 (7)
C2—Re1—C489.8 (3)C16—C11—C8119.0 (6)
C3—Re1—C489.9 (3)C11—C12—C13120.0 (8)
C2—Re1—C191.8 (3)C11—C12—H12120.0
C3—Re1—C192.8 (3)C13—C12—H12120.0
C4—Re1—C1176.8 (3)C14—C13—C12120.0 (8)
C2—Re1—P296.0 (3)C14—C13—H13120.0
C3—Re1—P2170.9 (3)C12—C13—H13120.0
C4—Re1—P288.3 (2)C15—C14—C13120.1 (7)
C1—Re1—P288.7 (2)C15—C14—H14120.0
C2—Re1—P1171.2 (3)C13—C14—H14120.0
C3—Re1—P195.9 (3)C14—C15—C16120.8 (8)
C4—Re1—P190.6 (2)C14—C15—H15119.6
C1—Re1—P187.4 (2)C16—C15—H15119.6
P2—Re1—P175.23 (5)C11—C16—C15118.9 (7)
C6—Re2—C793.4 (3)C11—C16—H16120.6
C6—Re2—C591.4 (3)C15—C16—H16120.6
C7—Re2—C589.8 (3)C18—C17—P1117.0 (5)
C6—Re2—C888.1 (3)C18—C17—H17A108.1
C7—Re2—C890.3 (3)P1—C17—H17A108.1
C5—Re2—C8179.5 (3)C18—C17—H17B108.1
C6—Re2—P295.78 (19)P1—C17—H17B108.1
C7—Re2—P2169.7 (2)H17A—C17—H17B107.3
C5—Re2—P285.28 (19)C17—C18—H18A109.5
C8—Re2—P294.66 (17)C17—C18—H18B109.5
C6—Re2—P1171.38 (19)H18A—C18—H18B109.5
C7—Re2—P195.1 (2)C17—C18—H18C109.5
C5—Re2—P187.2 (2)H18A—C18—H18C109.5
C8—Re2—P193.27 (19)H18B—C18—H18C109.5
P2—Re2—P175.63 (6)C20—C19—P1115.5 (5)
C19—P1—C17101.3 (3)C20—C19—H19A108.4
C19—P1—Re2116.5 (2)P1—C19—H19A108.4
C17—P1—Re2110.2 (2)C20—C19—H19B108.4
C19—P1—Re1111.1 (2)P1—C19—H19B108.4
C17—P1—Re1113.8 (2)H19A—C19—H19B107.5
Re2—P1—Re1104.30 (6)C19—C20—H20A109.5
C23—P2—C21101.7 (4)C19—C20—H20B109.5
C23—P2—Re2116.1 (2)H20A—C20—H20B109.5
C21—P2—Re2110.0 (2)C19—C20—H20C109.5
C23—P2—Re1111.7 (2)H20A—C20—H20C109.5
C21—P2—Re1113.2 (3)H20B—C20—H20C109.5
Re2—P2—Re1104.40 (6)C22—C21—P2116.6 (5)
O1—C1—Re1179.3 (7)C22—C21—H21A108.2
O2—C2—Re1178.1 (8)P2—C21—H21A108.2
O3—C3—Re1176.7 (8)C22—C21—H21B108.2
O4—C4—Re1178.2 (7)P2—C21—H21B108.2
O5—C5—Re2178.9 (6)H21A—C21—H21B107.3
O6—C6—Re2179.7 (6)C21—C22—H22A109.5
O7—C7—Re2176.5 (7)C21—C22—H22B109.5
O8—C8—C11115.4 (6)H22A—C22—H22B109.5
O8—C8—Re2123.6 (5)C21—C22—H22C109.5
C11—C8—Re2121.0 (4)H22A—C22—H22C109.5
C8—O8—C9121.8 (6)H22B—C22—H22C109.5
C10—C9—O8108.7 (7)C24—C23—P2115.5 (5)
C10—C9—H9A109.9C24—C23—H23A108.4
O8—C9—H9A109.9P2—C23—H23A108.4
C10—C9—H9B109.9C24—C23—H23B108.4
O8—C9—H9B109.9P2—C23—H23B108.4
H9A—C9—H9B108.3H23A—C23—H23B107.5
C9—C10—H10A109.5C23—C24—H24A109.5
C9—C10—H10B109.5C23—C24—H24B109.5
H10A—C10—H10B109.5H24A—C24—H24B109.5
C9—C10—H10C109.5C23—C24—H24C109.5
H10A—C10—H10C109.5H24A—C24—H24C109.5
H10B—C10—H10C109.5H24B—C24—H24C109.5
C12—C11—C16120.3 (7)
C7—Re2—P1—C1966.8 (3)C1—Re1—P2—C2137.1 (3)
C5—Re2—P1—C19156.4 (3)P1—Re1—P2—C21124.7 (3)
C8—Re2—P1—C1923.8 (3)C2—Re1—P2—Re2174.3 (2)
P2—Re2—P1—C19117.8 (2)C4—Re1—P2—Re296.1 (2)
C7—Re2—P1—C1747.8 (3)C1—Re1—P2—Re282.6 (2)
C5—Re2—P1—C1741.7 (3)P1—Re1—P2—Re25.04 (6)
C8—Re2—P1—C17138.4 (3)C6—Re2—C8—O8130.5 (6)
P2—Re2—P1—C17127.6 (3)C7—Re2—C8—O8136.2 (6)
C7—Re2—P1—Re1170.4 (2)P2—Re2—C8—O834.8 (6)
C5—Re2—P1—Re180.79 (19)P1—Re2—C8—O841.0 (5)
C8—Re2—P1—Re199.03 (17)C6—Re2—C8—C1149.3 (5)
P2—Re2—P1—Re15.05 (6)C7—Re2—C8—C1144.0 (6)
C3—Re1—P1—C1956.9 (4)P2—Re2—C8—C11145.0 (5)
C4—Re1—P1—C1933.1 (3)P1—Re2—C8—C11139.2 (5)
C1—Re1—P1—C19149.4 (3)C11—C8—O8—C90.8 (10)
P2—Re1—P1—C19121.2 (3)Re2—C8—O8—C9179.4 (6)
C3—Re1—P1—C1756.7 (4)C8—O8—C9—C10173.1 (7)
C4—Re1—P1—C17146.7 (3)O8—C8—C11—C1292.7 (8)
C1—Re1—P1—C1735.8 (3)Re2—C8—C11—C1287.5 (8)
P2—Re1—P1—C17125.2 (3)O8—C8—C11—C1689.7 (8)
C3—Re1—P1—Re2176.9 (2)Re2—C8—C11—C1690.1 (7)
C4—Re1—P1—Re293.1 (2)C16—C11—C12—C130.5 (11)
C1—Re1—P1—Re284.3 (2)C8—C11—C12—C13178.1 (7)
P2—Re1—P1—Re25.04 (6)C11—C12—C13—C141.1 (12)
C6—Re2—P2—C2362.5 (3)C12—C13—C14—C151.2 (12)
C5—Re2—P2—C23153.4 (3)C13—C14—C15—C160.7 (12)
C8—Re2—P2—C2326.1 (3)C12—C11—C16—C150.1 (11)
P1—Re2—P2—C23118.3 (3)C8—C11—C16—C15177.6 (6)
C6—Re2—P2—C2152.3 (4)C14—C15—C16—C110.0 (12)
C5—Re2—P2—C2138.6 (4)C19—P1—C17—C1854.6 (7)
C8—Re2—P2—C21140.9 (3)Re2—P1—C17—C18178.5 (5)
P1—Re2—P2—C21126.9 (3)Re1—P1—C17—C1864.8 (6)
C6—Re2—P2—Re1174.2 (2)C17—P1—C19—C2055.9 (6)
C5—Re2—P2—Re183.3 (2)Re2—P1—C19—C2063.7 (6)
C8—Re2—P2—Re197.25 (19)Re1—P1—C19—C20177.1 (5)
P1—Re2—P2—Re15.06 (6)C23—P2—C21—C2256.3 (7)
C2—Re1—P2—C2359.5 (3)Re2—P2—C21—C22180.0 (6)
C4—Re1—P2—C2330.1 (3)Re1—P2—C21—C2263.7 (7)
C1—Re1—P2—C23151.2 (3)C21—P2—C23—C2458.7 (7)
P1—Re1—P2—C23121.2 (3)Re2—P2—C23—C2460.7 (6)
C2—Re1—P2—C2154.6 (3)Re1—P2—C23—C24179.8 (5)
C4—Re1—P2—C21144.2 (3)

Experimental details

Crystal data
Chemical formula[Re2(C9H10O)(C4H10P)2(CO)7]
Mr880.82
Crystal system, space groupTriclinic, P1
Temperature (K)200
a, b, c (Å)8.425 (2), 10.504 (1), 17.674 (4)
α, β, γ (°)73.04 (1), 78.82 (1), 88.59 (1)
V3)1466.8 (5)
Z2
Radiation typeMo Kα
µ (mm1)8.40
Crystal size (mm)0.38 × 0.15 × 0.06
Data collection
DiffractometerBruker P4
diffractometer
Absorption correctionψ scan
(North et al., 1968)
Tmin, Tmax0.083, 0.608
No. of measured, independent and
observed [I > 2σ(I)] reflections
8026, 6665, 5086
Rint0.023
(sin θ/λ)max1)0.650
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.038, 0.096, 0.98
No. of reflections6665
No. of parameters330
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)0.94, 0.82

Computer programs: XSCANS (Bruker, 1996), XSCANS, SHELXTL (Bruker, 1998), SHELXTL.

Selected geometric parameters (Å, º) top
Re1—P22.5122 (19)Re2—P12.5024 (18)
Re1—P12.5154 (17)C8—O81.300 (8)
Re2—C82.098 (7)C8—C111.517 (9)
Re2—P22.5023 (17)O8—C91.495 (9)
P2—Re1—P175.23 (5)Re2—P2—Re1104.40 (6)
P2—Re2—P175.63 (6)O8—C8—Re2123.6 (5)
Re2—P1—Re1104.30 (6)
 

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