Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270101002190/jz1448sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108270101002190/jz1448Isup2.hkl |
CCDC reference: 164629
The title compound was obtained by a similar method to that reported by Lindner & Matejcek (1970) using [ReBr(CO)5] and HS2PPh2 in toluene. Single crystals of the compound were obtained by storing the mother liquor at 269 K for some days. Analysis found: C 33.1, H 1.9, S 10.4%. C16H10O4PS2Re requires, C 33.2, H 1.7, S 11.0%. Mass spectrum (FAB-NBA; m/z, %): |M|+ 453 (31), |M—CO|+ 424 (100), |M-2CO|+ 396 (19), |M-3CO|+ 368 (17), |M-4CO|+ 340 (11). IR(Raman) spectrum (KBr, cm-1): 1925 s(1927 s), 1983m(1976 s), 2004m (1991m), 2102 s(2100 s) ν(CO); 571 s(-) νasym(PS2); 493 s(495 s) νsym(PS2). 13C NMR spectrum (CDCl3, p.p.m.): 184.4, 184.2 δ(CO). δ(31P) = 124.3 p.p.m..
H atoms were geometrically calculated and refined using a riding model. The largest difference peak (1.36 e Å3) lies 0.94 Å from the Re atom.
Data collection: SMART (Bruker, 1997); cell refinement: SMART; data reduction: SHELXTL (Sheldrick, 1995); program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.
Fig. 1. [Re(S2PPh2)(CO)4] as drawn by ZORTEP (Zsolnai & Huttner, 1994). Atoms represented as displacement ellipsoids are drawn at the 30% probability level. |
[Re(C12H10PS2)(CO)4] | F(000) = 2080 |
Mr = 547.53 | Dx = 2.000 Mg m−3 |
Orthorhombic, Pbca | Mo Kα radiation, λ = 0.71073 Å |
a = 16.1160 (1) Å | µ = 7.02 mm−1 |
b = 12.8286 (2) Å | T = 293 K |
c = 17.5930 (3) Å | Prism, light brown |
V = 3637.28 (9) Å3 | 0.20 × 0.15 × 0.10 mm |
Z = 8 |
CCD area detector diffractometer | 4518 independent reflections |
Radiation source: fine-focus sealed tube | 3181 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.085 |
ϕ and ω scans | θmax = 28.3°, θmin = 2.3° |
Absorption correction: empirical (using intensity measurements) (SADABS; Sheldrick, 1996) | h = −21→21 |
Tmin = 0.271, Tmax = 0.551 | k = −13→17 |
23344 measured reflections | l = −23→21 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.041 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.098 | H-atom parameters constrained |
S = 0.98 | w = 1/[σ2(Fo2) + (0.0438P)2] where P = (Fo2 + 2Fc2)/3 |
4518 reflections | (Δ/σ)max = 0.002 |
217 parameters | Δρmax = 1.36 e Å−3 |
0 restraints | Δρmin = −3.52 e Å−3 |
[Re(C12H10PS2)(CO)4] | V = 3637.28 (9) Å3 |
Mr = 547.53 | Z = 8 |
Orthorhombic, Pbca | Mo Kα radiation |
a = 16.1160 (1) Å | µ = 7.02 mm−1 |
b = 12.8286 (2) Å | T = 293 K |
c = 17.5930 (3) Å | 0.20 × 0.15 × 0.10 mm |
CCD area detector diffractometer | 4518 independent reflections |
Absorption correction: empirical (using intensity measurements) (SADABS; Sheldrick, 1996) | 3181 reflections with I > 2σ(I) |
Tmin = 0.271, Tmax = 0.551 | Rint = 0.085 |
23344 measured reflections |
R[F2 > 2σ(F2)] = 0.041 | 0 restraints |
wR(F2) = 0.098 | H-atom parameters constrained |
S = 0.98 | Δρmax = 1.36 e Å−3 |
4518 reflections | Δρmin = −3.52 e Å−3 |
217 parameters |
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. |
x | y | z | Uiso*/Ueq | ||
Re | 0.311151 (13) | 0.025387 (16) | −0.661550 (12) | 0.03976 (9) | |
S1 | 0.34950 (10) | −0.03238 (10) | −0.52821 (9) | 0.0493 (3) | |
S2 | 0.32155 (9) | 0.19964 (10) | −0.59206 (8) | 0.0502 (3) | |
P | 0.31646 (8) | 0.11232 (10) | −0.49654 (7) | 0.0382 (3) | |
O1 | 0.1201 (3) | 0.0140 (5) | −0.6340 (4) | 0.0928 (17) | |
O2 | 0.5010 (3) | 0.0495 (4) | −0.6936 (4) | 0.0903 (16) | |
O3 | 0.3092 (2) | −0.1966 (3) | −0.7265 (3) | 0.0617 (12) | |
O4 | 0.2643 (4) | 0.1141 (4) | −0.8171 (3) | 0.0886 (17) | |
C1 | 0.1895 (4) | 0.0176 (5) | −0.6418 (5) | 0.0591 (17) | |
C2 | 0.4330 (5) | 0.0391 (4) | −0.6818 (4) | 0.0553 (15) | |
C3 | 0.3103 (3) | −0.1135 (5) | −0.7022 (3) | 0.0474 (13) | |
C4 | 0.2826 (4) | 0.0827 (5) | −0.7595 (4) | 0.0581 (15) | |
C11 | 0.2133 (3) | 0.1158 (4) | −0.4577 (3) | 0.0403 (11) | |
C12 | 0.1807 (3) | 0.2120 (5) | −0.4361 (4) | 0.0525 (14) | |
H12 | 0.2119 | 0.2724 | −0.4419 | 0.063* | |
C13 | 0.1022 (4) | 0.2166 (6) | −0.4063 (4) | 0.0648 (17) | |
H13 | 0.0805 | 0.2807 | −0.3918 | 0.078* | |
C14 | 0.0557 (4) | 0.1301 (7) | −0.3976 (4) | 0.075 (2) | |
H14 | 0.0027 | 0.1351 | −0.3772 | 0.090* | |
C15 | 0.0868 (4) | 0.0344 (6) | −0.4189 (5) | 0.080 (2) | |
H15 | 0.0545 | −0.0251 | −0.4130 | 0.097* | |
C16 | 0.1651 (4) | 0.0266 (5) | −0.4489 (4) | 0.0567 (15) | |
H16 | 0.1859 | −0.0381 | −0.4634 | 0.068* | |
C21 | 0.3829 (3) | 0.1644 (4) | −0.4238 (3) | 0.0398 (11) | |
C22 | 0.3623 (4) | 0.1583 (6) | −0.3487 (3) | 0.0602 (17) | |
H22 | 0.3122 | 0.1283 | −0.3341 | 0.072* | |
C23 | 0.4165 (4) | 0.1970 (6) | −0.2942 (4) | 0.080 (2) | |
H23 | 0.4016 | 0.1954 | −0.2431 | 0.096* | |
C24 | 0.4909 (5) | 0.2370 (6) | −0.3149 (4) | 0.075 (2) | |
H24 | 0.5270 | 0.2623 | −0.2780 | 0.090* | |
C25 | 0.5127 (4) | 0.2402 (5) | −0.3878 (5) | 0.077 (2) | |
H25 | 0.5642 | 0.2671 | −0.4013 | 0.092* | |
C26 | 0.4597 (4) | 0.2041 (5) | −0.4436 (4) | 0.0656 (17) | |
H26 | 0.4757 | 0.2064 | −0.4944 | 0.079* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Re | 0.05144 (14) | 0.04501 (14) | 0.02284 (14) | 0.00279 (9) | −0.00006 (8) | −0.00227 (8) |
S1 | 0.0744 (10) | 0.0412 (7) | 0.0324 (8) | 0.0110 (6) | −0.0022 (7) | 0.0023 (6) |
S2 | 0.0835 (10) | 0.0417 (7) | 0.0254 (8) | 0.0021 (7) | 0.0016 (7) | 0.0042 (5) |
P | 0.0522 (7) | 0.0410 (6) | 0.0215 (7) | 0.0024 (5) | −0.0011 (5) | 0.0019 (5) |
O1 | 0.047 (3) | 0.139 (5) | 0.092 (4) | 0.001 (3) | 0.001 (3) | −0.021 (3) |
O2 | 0.067 (3) | 0.090 (4) | 0.115 (5) | −0.004 (3) | 0.017 (3) | 0.004 (3) |
O3 | 0.076 (3) | 0.056 (2) | 0.054 (3) | −0.006 (2) | −0.004 (2) | −0.016 (2) |
O4 | 0.153 (5) | 0.084 (3) | 0.029 (3) | 0.023 (3) | −0.023 (3) | 0.003 (2) |
C1 | 0.061 (4) | 0.066 (4) | 0.050 (4) | 0.008 (3) | −0.001 (3) | −0.007 (3) |
C2 | 0.067 (4) | 0.052 (3) | 0.047 (4) | −0.004 (3) | 0.009 (3) | −0.003 (3) |
C3 | 0.052 (3) | 0.062 (3) | 0.028 (3) | −0.001 (3) | −0.004 (2) | 0.001 (3) |
C4 | 0.085 (4) | 0.053 (4) | 0.037 (4) | 0.005 (3) | −0.003 (3) | −0.010 (3) |
C11 | 0.050 (3) | 0.048 (3) | 0.023 (3) | 0.002 (2) | −0.005 (2) | 0.002 (2) |
C12 | 0.052 (3) | 0.059 (3) | 0.046 (4) | 0.006 (3) | −0.008 (3) | −0.004 (3) |
C13 | 0.055 (4) | 0.080 (4) | 0.059 (5) | 0.016 (3) | −0.005 (3) | −0.009 (3) |
C14 | 0.050 (4) | 0.111 (6) | 0.064 (5) | 0.005 (4) | 0.006 (3) | 0.004 (4) |
C15 | 0.068 (5) | 0.090 (5) | 0.084 (6) | −0.021 (4) | 0.013 (4) | 0.015 (4) |
C16 | 0.060 (3) | 0.059 (4) | 0.051 (4) | −0.002 (3) | 0.006 (3) | 0.006 (3) |
C21 | 0.046 (3) | 0.044 (3) | 0.029 (3) | 0.006 (2) | 0.000 (2) | −0.005 (2) |
C22 | 0.047 (3) | 0.103 (5) | 0.030 (3) | 0.008 (3) | −0.003 (2) | −0.007 (3) |
C23 | 0.075 (5) | 0.130 (6) | 0.036 (4) | 0.030 (4) | −0.011 (3) | −0.024 (4) |
C24 | 0.071 (4) | 0.087 (5) | 0.068 (5) | 0.018 (4) | −0.026 (4) | −0.038 (4) |
C25 | 0.062 (4) | 0.088 (5) | 0.080 (6) | −0.018 (3) | −0.005 (4) | −0.016 (4) |
C26 | 0.064 (4) | 0.089 (5) | 0.044 (4) | −0.016 (3) | 0.000 (3) | −0.006 (3) |
Re—C3 | 1.920 (6) | O4—C4 | 1.130 (7) |
Re—C4 | 1.929 (7) | C1—C16 | 3.417 (10) |
Re—C1 | 1.993 (7) | C1—C11 | 3.497 (9) |
Re—C2 | 2.004 (7) | C1—C15 | 4.261 (12) |
Re—S1 | 2.5366 (15) | C1—C12 | 4.396 (10) |
Re—S2 | 2.5535 (14) | C1—C14 | 5.018 (10) |
S1—P | 2.0100 (19) | C1—C13 | 5.065 (10) |
S2—P | 2.0212 (19) | C11—C16 | 1.392 (7) |
P—C21 | 1.798 (5) | C11—C12 | 1.393 (8) |
P—C11 | 1.799 (5) | C12—C13 | 1.371 (8) |
O1—C1 | 1.128 (7) | C13—C14 | 1.346 (9) |
O1—C16 | 3.340 (10) | C14—C15 | 1.378 (10) |
O1—C11 | 3.686 (8) | C15—C16 | 1.372 (9) |
O1—C15 | 3.831 (11) | C21—C22 | 1.365 (7) |
O1—C12 | 4.419 (9) | C21—C26 | 1.383 (7) |
O1—C14 | 4.538 (10) | C22—C23 | 1.389 (9) |
O1—C13 | 4.784 (9) | C23—C24 | 1.354 (10) |
O2—C2 | 1.123 (8) | C24—C25 | 1.330 (10) |
O3—C3 | 1.148 (7) | C25—C26 | 1.382 (9) |
C3—Re—C4 | 91.1 (2) | C11—C1—C14 | 31.83 (13) |
C3—Re—C1 | 90.7 (2) | C15—C1—C14 | 14.30 (13) |
C4—Re—C1 | 86.6 (3) | C12—C1—C14 | 28.17 (12) |
C3—Re—C2 | 91.3 (2) | O1—C1—C13 | 69.3 (5) |
C4—Re—C2 | 92.4 (3) | Re—C1—C13 | 113.0 (3) |
C1—Re—C2 | 177.8 (3) | C16—C1—C13 | 30.58 (14) |
C3—Re—S1 | 94.30 (17) | C11—C1—C13 | 24.66 (12) |
C4—Re—S1 | 174.57 (18) | C15—C1—C13 | 27.63 (13) |
C1—Re—S1 | 93.6 (2) | C12—C1—C13 | 14.57 (10) |
C2—Re—S1 | 87.2 (2) | C14—C1—C13 | 15.33 (11) |
C3—Re—S2 | 172.41 (17) | O2—C2—Re | 178.1 (6) |
C4—Re—S2 | 96.28 (18) | O3—C3—Re | 179.5 (5) |
C1—Re—S2 | 91.43 (19) | O4—C4—Re | 178.0 (6) |
C2—Re—S2 | 86.80 (17) | C16—C11—C12 | 119.2 (5) |
S1—Re—S2 | 78.29 (4) | C16—C11—P | 122.5 (4) |
P—S1—Re | 85.52 (6) | C12—C11—P | 118.3 (4) |
P—S2—Re | 84.85 (6) | C16—C11—C1 | 75.2 (4) |
C21—P—C11 | 105.7 (2) | C12—C11—C1 | 122.0 (4) |
C21—P—S1 | 112.49 (17) | P—C11—C1 | 74.9 (2) |
C11—P—S1 | 111.92 (18) | C16—C11—O1 | 64.8 (4) |
C21—P—S2 | 111.22 (18) | C12—C11—O1 | 112.9 (4) |
C11—P—S2 | 109.86 (18) | P—C11—O1 | 92.7 (2) |
S1—P—S2 | 105.71 (8) | C1—C11—O1 | 17.82 (13) |
C1—O1—C16 | 84.3 (5) | C13—C12—C11 | 119.3 (6) |
C1—O1—C11 | 71.5 (5) | C13—C12—C1 | 111.7 (4) |
C16—O1—C11 | 22.15 (13) | C11—C12—C1 | 42.4 (3) |
C1—O1—C15 | 104.8 (6) | C13—C12—O1 | 97.0 (4) |
C16—O1—C15 | 20.62 (15) | C11—C12—O1 | 50.2 (3) |
C11—O1—C15 | 37.00 (14) | C1—C12—O1 | 14.71 (10) |
C1—O1—C12 | 81.5 (5) | C14—C13—C12 | 121.4 (6) |
C16—O1—C12 | 32.45 (14) | C14—C13—O1 | 71.4 (4) |
C11—O1—C12 | 16.88 (11) | C12—C13—O1 | 66.5 (4) |
C15—O1—C12 | 38.13 (15) | C14—C13—C1 | 80.4 (4) |
C1—O1—C14 | 108.9 (5) | C12—C13—C1 | 53.8 (4) |
C16—O1—C14 | 30.71 (15) | O1—C13—C1 | 12.75 (9) |
C11—O1—C14 | 37.37 (13) | C13—C14—C15 | 120.1 (6) |
C15—O1—C14 | 16.31 (14) | C13—C14—O1 | 92.2 (4) |
C12—O1—C14 | 30.64 (12) | C15—C14—O1 | 51.3 (4) |
C1—O1—C13 | 98.0 (5) | C13—C14—C1 | 84.3 (4) |
C16—O1—C13 | 33.95 (14) | C15—C14—C1 | 49.8 (4) |
C11—O1—C13 | 29.22 (11) | O1—C14—C1 | 12.28 (9) |
C15—O1—C13 | 29.21 (14) | C16—C15—C14 | 120.3 (6) |
C12—O1—C13 | 16.53 (10) | C16—C15—O1 | 59.1 (4) |
C14—O1—C13 | 16.33 (11) | C14—C15—O1 | 112.4 (5) |
O1—C1—Re | 176.8 (7) | C16—C15—C1 | 44.3 (4) |
O1—C1—C16 | 76.5 (5) | C14—C15—C1 | 115.9 (5) |
Re—C1—C16 | 106.6 (3) | O1—C15—C1 | 14.83 (11) |
O1—C1—C11 | 90.7 (5) | C15—C16—C11 | 119.7 (6) |
Re—C1—C11 | 92.1 (3) | C15—C16—O1 | 100.3 (5) |
C16—C1—C11 | 23.19 (13) | C11—C16—O1 | 93.1 (4) |
O1—C1—C15 | 60.4 (5) | C15—C16—C1 | 119.4 (5) |
Re—C1—C15 | 122.7 (3) | C11—C16—C1 | 81.6 (4) |
C16—C1—C15 | 16.29 (15) | O1—C16—C1 | 19.18 (13) |
C11—C1—C15 | 34.10 (15) | C22—C21—C26 | 118.9 (5) |
O1—C1—C12 | 83.8 (5) | C22—C21—P | 121.5 (4) |
Re—C1—C12 | 98.5 (2) | C26—C21—P | 119.4 (4) |
C16—C1—C12 | 32.88 (14) | C21—C22—C23 | 119.7 (6) |
C11—C1—C12 | 15.59 (11) | C24—C23—C22 | 120.4 (7) |
C15—C1—C12 | 37.02 (14) | C25—C24—C23 | 120.3 (6) |
O1—C1—C14 | 58.8 (5) | C24—C25—C26 | 120.8 (7) |
Re—C1—C14 | 123.9 (3) | C25—C26—C21 | 119.8 (6) |
C16—C1—C14 | 24.64 (14) |
Experimental details
Crystal data | |
Chemical formula | [Re(C12H10PS2)(CO)4] |
Mr | 547.53 |
Crystal system, space group | Orthorhombic, Pbca |
Temperature (K) | 293 |
a, b, c (Å) | 16.1160 (1), 12.8286 (2), 17.5930 (3) |
V (Å3) | 3637.28 (9) |
Z | 8 |
Radiation type | Mo Kα |
µ (mm−1) | 7.02 |
Crystal size (mm) | 0.20 × 0.15 × 0.10 |
Data collection | |
Diffractometer | CCD area detector diffractometer |
Absorption correction | Empirical (using intensity measurements) (SADABS; Sheldrick, 1996) |
Tmin, Tmax | 0.271, 0.551 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 23344, 4518, 3181 |
Rint | 0.085 |
(sin θ/λ)max (Å−1) | 0.667 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.041, 0.098, 0.98 |
No. of reflections | 4518 |
No. of parameters | 217 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 1.36, −3.52 |
Computer programs: SMART (Bruker, 1997), SMART, SHELXTL (Sheldrick, 1995), SHELXS97 (Sheldrick, 1990), SHELXL97 (Sheldrick, 1997), SHELXTL.
Re—C3 | 1.920 (6) | S1—P | 2.0100 (19) |
Re—C4 | 1.929 (7) | S2—P | 2.0212 (19) |
Re—C1 | 1.993 (7) | O1—C1 | 1.128 (7) |
Re—C2 | 2.004 (7) | O2—C2 | 1.123 (8) |
Re—S1 | 2.5366 (15) | O3—C3 | 1.148 (7) |
Re—S2 | 2.5535 (14) | O4—C4 | 1.130 (7) |
C3—Re—C4 | 91.1 (2) | C1—Re—S1 | 93.6 (2) |
C3—Re—C1 | 90.7 (2) | C2—Re—S1 | 87.2 (2) |
C4—Re—C1 | 86.6 (3) | C3—Re—S2 | 172.41 (17) |
C3—Re—C2 | 91.3 (2) | C4—Re—S2 | 96.28 (18) |
C4—Re—C2 | 92.4 (3) | C1—Re—S2 | 91.43 (19) |
C1—Re—C2 | 177.8 (3) | C2—Re—S2 | 86.80 (17) |
C3—Re—S1 | 94.30 (17) | S1—Re—S2 | 78.29 (4) |
C4—Re—S1 | 174.57 (18) | S1—P—S2 | 105.71 (8) |
The dithiophosphinato ligand is a very versatile chelating ligand in transition metal coordination chemistry. Consequently, a great number of metal and organometallic complexes are known (Haiduc et al., 1995). However, the corresponding derivatives of carbonyl complexes of group 7 are rather scarce. This is surprising because they have been used as suitable precursors in the synthesis of dinuclear (Thiele et al., 1974a, and references therein) or cis-disubstituted complexes (Lidner & Berke, 1972). Additionally, structural knowledge of the carbonyl complexes of group 7 can be applied in comparative studies of other dithioligand complexes with interesting properties such as luminiscence; see Leirer et al., 1998. As a part of the study of the coordinative behaviour of the [Re(CO)3]+ and [Re(CO)4]+ moieties we have synthesized [Re(S2PPh2)(CO)4] by a similar method to that of Lindner & Matejcek (1970).
The structure consists of isolated [Re(S2PPh2)(CO)4] molecules with no unusually short contacts. The dithiophosphinate ligand links to rhenium in an almost symmetrical bidentate mode. The Re—S distances are close to those found in the dimeric [Re2(µ-S2PEt2)2(CO)6] [2.535 (8)–2.570 (11) Å; Thiele et al., 1974a] but slightly longer than in dithiocarbamate analogues [Re{S2CN(H)Ph}(CO)3(PPh3)2] [2.512 (5) and 2.525 Å; Rossi et al., 1987], [Re{S2CN(H)Tiaz}(CO)2(PPh3)] (Tiaz = thiazol-2-yl; Rossi et al., 1988) and the dithiocarboxylate [Re(S2CPh)(CO)4] (2.49 Å; Thiele & Liehr, 1971) or the trithiocarbonate [Re4(CS3)2(CO)16] (2.487–2.514 Å, Thiele et al., 1974b). The Re—C distances corresponding to carbonyl groups trans to the sulfur atoms are systematically shorter. In agreement with the latter, the corresponding C—O distances are slightly increased. Similar effects have been observed in [Mn(S2PEt2)(CO)4] (Almond et al., 1995) and suggest some π-donor character of the dithiophosphinato ligand.
The P atom lies 0.532 (2) Å out of the plane defined by the rhenium and sulfur atoms and the two carbonyl groups trans to the dithiophosphinato ligand (Re/C3/O3/C4/O4/S1/S2, r.m.s. deviation = 0.017 Å). The chelation mode arranges a phenyl group almost parallel to the vector Re—C1—O1 (Fig. 1), whereby the shortest distances C1···C16 and C1···C11 [3.417 (10) and 3.497 (9) Å, respectively] are slightly longer than the double van der Waals radius (1.70 Å) of carbon (Spek, 2000). The resulting four-membered ring, ReS2P, is not planar; the angles are S1—Re—S2 78.29 (4), P—S1—Re 85.52 (6), P—S2—Re 84.85 (6) and S1—P—S2 105.71 (8)°, and the fold angle about the S1···S2 vector is 26.47 (6)°.
The coordination polyhedron around the rhenium atom can be described as a slightly distorted octahedron, the main distortion being imposed by the ligand bite [S1—Re—S2 78.29 (4)°]. The P—S distances are practically identical and consistent with the bidentate character of the ligand. They are also close to those found in [Mn(S2PEt2)(CO)4] [2.004 (4) and 2.008 (4) Å; Almod et al., 1995].