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The molecule of the title compound, [Cr2(C8H8O3)(CO)10], comprises two octa­hedrally coordinated Cr atoms, each with five carbonyl ligands, and with a bis­(methoxy­carbene)furan ligand bridging the two Cr centres. The planar furan ring is coplanar with the two methoxy­carbene groups. Structural data reveal some electron delocalization from one Cr atom to the other via the conjugated bridging bis-carbene ligand.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806001413/bd6018sup1.cif
Contains datablocks global, 2

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806001413/bd60182sup2.hkl
Contains datablock 2

CCDC reference: 298367

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.036
  • wR factor = 0.103
  • Data-to-parameter ratio = 14.4

checkCIF/PLATON results

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Alert level B PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Cr1 - C11 .. 11.10 su
Alert level C PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature . 293 K PLAT230_ALERT_2_C Hirshfeld Test Diff for O11 - C11 .. 5.49 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Cr1 - C12 .. 9.49 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Cr1 - C13 .. 8.62 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Cr1 - C14 .. 8.65 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Cr1 - C15 .. 9.49 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Cr2 - C7 .. 7.98 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Cr2 - C21 .. 9.02 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Cr2 - C22 .. 8.77 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Cr2 - C23 .. 9.42 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Cr2 - C24 .. 8.09 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Cr2 - C25 .. 8.12 su
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 13 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 12 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 0 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Bruker, 2001); program(s) used to refine structure: SHELXTL and SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997) and POV-RAY (Carson or Cason, 2004); software used to prepare material for publication: SHELXL97.

µ-Furan-2,5-diylbis(methoxycarbene)-bis[pentacarbonylchromium(0)] top
Crystal data top
[Cr2(C8H8O3)(CO)10]Z = 2
Mr = 536.24F(000) = 536
Triclinic, P1Dx = 1.684 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 6.3656 (4) ÅCell parameters from 3938 reflections
b = 13.510 (1) Åθ = 2.8–26.2°
c = 13.9374 (10) ŵ = 1.10 mm1
α = 114.454 (1)°T = 293 K
β = 93.965 (1)°Plate, dark purple
γ = 100.785 (1)°0.38 × 0.24 × 0.04 mm
V = 1057.31 (13) Å3
Data collection top
Bruker P4
diffractometer
4304 independent reflections
Radiation source: fine-focus sealed tube3678 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.021
Detector resolution: 8.3 pixels mm-1θmax = 26.4°, θmin = 1.7°
φ and ω scansh = 74
Absorption correction: multi-scan
(SADABS; Bruker, 2001)
k = 1616
Tmin = 0.798, Tmax = 0.957l = 1617
6293 measured reflections
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)] = 0.036Hydrogen site location: difference Fourier map
wR(F2) = 0.103H-atom parameters constrained
S = 1.04 w = 1/[σ2(Fo2) + (0.0574P)2 + 0.3404P]
where P = (Fo2 + 2Fc2)/3
4304 reflections(Δ/σ)max = 0.001
298 parametersΔρmax = 0.35 e Å3
0 restraintsΔρmin = 0.21 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
Cr10.29956 (5)0.20836 (3)0.51739 (2)0.03463 (11)
Cr20.67465 (5)0.32466 (3)0.06521 (3)0.03853 (12)
O10.4580 (2)0.23429 (12)0.22910 (11)0.0384 (3)
C10.3563 (3)0.19417 (17)0.29486 (16)0.0355 (4)
C20.2130 (3)0.09374 (18)0.23113 (17)0.0411 (5)
H20.12230.04900.25460.049*
C30.2281 (4)0.07092 (18)0.12493 (17)0.0431 (5)
H30.15000.00830.06460.052*
C40.3794 (3)0.15820 (18)0.12650 (16)0.0386 (4)
C50.4231 (3)0.25909 (16)0.40971 (16)0.0349 (4)
O20.5706 (2)0.34941 (12)0.42359 (12)0.0432 (3)
C60.6861 (4)0.43030 (19)0.52721 (19)0.0508 (6)
H610.77180.49330.52120.061*
H620.77920.39680.55510.061*
H630.58440.45480.57450.061*
C70.4655 (3)0.18138 (18)0.04081 (16)0.0391 (4)
O30.3691 (3)0.08970 (13)0.04718 (12)0.0505 (4)
C80.3995 (4)0.0801 (2)0.15147 (18)0.0566 (6)
H810.34680.00350.20310.068*
H820.55100.10430.15200.068*
H830.32110.12610.16910.068*
C110.3590 (3)0.0672 (2)0.43420 (19)0.0434 (5)
O110.3989 (3)0.01625 (15)0.38455 (15)0.0613 (5)
C120.0181 (4)0.16840 (19)0.43915 (18)0.0443 (5)
O120.1545 (3)0.14766 (18)0.39652 (16)0.0683 (5)
C130.2395 (3)0.3488 (2)0.59944 (19)0.0459 (5)
O130.1902 (3)0.43012 (17)0.64594 (18)0.0727 (6)
C140.5736 (4)0.2495 (2)0.60768 (19)0.0466 (5)
O140.7294 (3)0.26949 (18)0.66319 (18)0.0727 (6)
C150.1765 (4)0.1510 (2)0.6093 (2)0.0497 (5)
O150.1020 (3)0.1155 (2)0.66350 (18)0.0755 (6)
C210.8382 (4)0.3236 (2)0.1858 (2)0.0503 (5)
O210.9431 (3)0.3260 (2)0.25620 (17)0.0749 (6)
C220.4821 (4)0.40083 (19)0.15152 (19)0.0451 (5)
O220.3665 (3)0.44628 (17)0.20060 (17)0.0667 (5)
C230.5383 (4)0.3391 (2)0.0523 (2)0.0532 (6)
O230.4658 (4)0.3539 (2)0.12079 (19)0.0834 (7)
O240.9861 (4)0.2112 (2)0.0726 (2)0.0856 (7)
C240.8665 (4)0.2520 (2)0.0222 (2)0.0535 (6)
C250.8652 (4)0.4664 (2)0.1014 (2)0.0518 (6)
O250.9776 (4)0.55067 (18)0.12234 (19)0.0789 (6)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cr10.03313 (18)0.03876 (19)0.03255 (19)0.00597 (13)0.00580 (13)0.01706 (15)
Cr20.03908 (19)0.0448 (2)0.0363 (2)0.01176 (15)0.01102 (14)0.02052 (16)
O10.0445 (7)0.0379 (7)0.0308 (7)0.0027 (6)0.0066 (6)0.0161 (6)
C10.0363 (9)0.0377 (10)0.0351 (10)0.0081 (8)0.0073 (8)0.0185 (9)
C20.0411 (10)0.0405 (11)0.0392 (11)0.0009 (8)0.0043 (8)0.0190 (9)
C30.0481 (11)0.0388 (11)0.0351 (11)0.0036 (9)0.0004 (9)0.0132 (9)
C40.0436 (10)0.0412 (11)0.0311 (10)0.0112 (9)0.0058 (8)0.0153 (9)
C50.0326 (9)0.0365 (10)0.0389 (10)0.0107 (7)0.0075 (8)0.0182 (9)
O20.0482 (8)0.0384 (8)0.0365 (8)0.0016 (6)0.0053 (6)0.0154 (6)
C60.0507 (12)0.0439 (12)0.0440 (13)0.0079 (10)0.0033 (10)0.0156 (10)
C70.0432 (10)0.0448 (11)0.0304 (10)0.0164 (9)0.0058 (8)0.0150 (9)
O30.0632 (10)0.0496 (9)0.0312 (8)0.0087 (8)0.0052 (7)0.0127 (7)
C80.0673 (15)0.0670 (16)0.0273 (11)0.0178 (13)0.0074 (10)0.0121 (11)
C110.0405 (11)0.0469 (12)0.0472 (12)0.0058 (9)0.0040 (9)0.0271 (10)
O110.0748 (12)0.0464 (10)0.0620 (11)0.0215 (9)0.0084 (9)0.0204 (9)
C120.0411 (11)0.0485 (12)0.0382 (11)0.0093 (9)0.0102 (9)0.0139 (10)
O120.0372 (9)0.0885 (14)0.0609 (11)0.0133 (9)0.0010 (8)0.0166 (10)
C130.0402 (11)0.0491 (12)0.0420 (12)0.0049 (9)0.0068 (9)0.0160 (10)
O130.0688 (12)0.0563 (11)0.0736 (14)0.0202 (10)0.0155 (10)0.0069 (10)
C140.0453 (12)0.0480 (12)0.0452 (12)0.0059 (9)0.0046 (10)0.0217 (10)
O140.0559 (11)0.0760 (13)0.0773 (14)0.0038 (9)0.0188 (10)0.0342 (11)
C150.0445 (11)0.0581 (14)0.0466 (13)0.0044 (10)0.0029 (10)0.0270 (12)
O150.0694 (12)0.1015 (16)0.0740 (14)0.0017 (11)0.0143 (10)0.0633 (13)
C210.0425 (11)0.0621 (15)0.0523 (14)0.0102 (10)0.0126 (10)0.0309 (12)
O210.0535 (10)0.1109 (17)0.0715 (13)0.0114 (11)0.0029 (10)0.0558 (13)
C220.0443 (11)0.0459 (12)0.0455 (12)0.0079 (9)0.0093 (10)0.0213 (10)
O220.0631 (11)0.0687 (12)0.0739 (13)0.0287 (10)0.0308 (10)0.0281 (10)
C230.0599 (14)0.0569 (14)0.0501 (14)0.0160 (11)0.0152 (11)0.0285 (12)
O230.0989 (16)0.1010 (17)0.0720 (14)0.0265 (14)0.0031 (12)0.0589 (14)
O240.0733 (13)0.0890 (15)0.0982 (17)0.0366 (12)0.0475 (13)0.0318 (14)
C240.0517 (13)0.0551 (14)0.0576 (15)0.0137 (11)0.0180 (11)0.0264 (12)
C250.0557 (13)0.0570 (14)0.0455 (13)0.0116 (11)0.0154 (11)0.0246 (11)
O250.0836 (14)0.0632 (12)0.0788 (15)0.0087 (11)0.0155 (11)0.0310 (11)
Geometric parameters (Å, º) top
Cr1—C121.890 (2)C5—O21.326 (2)
Cr1—C151.894 (2)O2—C61.438 (3)
Cr1—C131.894 (2)C6—H610.9600
Cr1—C111.904 (2)C6—H620.9600
Cr1—C141.921 (2)C6—H630.9600
Cr1—C52.038 (2)C7—O31.330 (3)
Cr2—C241.898 (2)O3—C81.435 (3)
Cr2—C231.899 (3)C8—H810.9600
Cr2—C251.907 (3)C8—H820.9600
Cr2—C221.913 (2)C8—H830.9600
Cr2—C211.921 (3)C11—O111.140 (3)
Cr2—C72.016 (2)C12—O121.138 (3)
O1—C41.358 (2)C13—O131.138 (3)
O1—C11.384 (2)C14—O141.130 (3)
C1—C21.374 (3)C15—O151.136 (3)
C1—C51.455 (3)C21—O211.133 (3)
C2—C31.396 (3)C22—O221.130 (3)
C2—H20.9300C23—O231.138 (3)
C3—C41.367 (3)O24—C241.135 (3)
C3—H30.9300C25—O251.134 (3)
C4—C71.470 (3)
C12—Cr1—C1588.04 (10)C4—C3—C2106.90 (19)
C12—Cr1—C1386.23 (10)C4—C3—H3126.6
C15—Cr1—C1390.41 (11)C2—C3—H3126.6
C12—Cr1—C1193.51 (9)O1—C4—C3109.70 (18)
C15—Cr1—C1189.78 (10)O1—C4—C7118.00 (18)
C13—Cr1—C11179.67 (10)C3—C4—C7132.3 (2)
C12—Cr1—C14174.88 (10)O2—C5—C1106.23 (16)
C15—Cr1—C1487.29 (10)O2—C5—Cr1131.04 (15)
C13—Cr1—C1491.72 (10)C1—C5—Cr1122.72 (14)
C11—Cr1—C1488.56 (10)C5—O2—C6122.44 (17)
C12—Cr1—C589.79 (9)O2—C6—H61109.5
C15—Cr1—C5175.92 (9)O2—C6—H62109.5
C13—Cr1—C592.89 (9)H61—C6—H62109.5
C11—Cr1—C586.90 (9)O2—C6—H63109.5
C14—Cr1—C595.00 (9)H61—C6—H63109.5
C24—Cr2—C2389.41 (11)H62—C6—H63109.5
C24—Cr2—C2589.97 (11)O3—C7—C4103.18 (18)
C23—Cr2—C2587.06 (11)O3—C7—Cr2132.66 (15)
C24—Cr2—C22178.39 (10)C4—C7—Cr2124.14 (15)
C23—Cr2—C2289.37 (10)C7—O3—C8121.51 (19)
C25—Cr2—C2288.91 (10)O3—C8—H81109.5
C24—Cr2—C2189.13 (11)O3—C8—H82109.5
C23—Cr2—C21173.63 (11)H81—C8—H82109.5
C25—Cr2—C2186.74 (11)O3—C8—H83109.5
C22—Cr2—C2191.96 (10)H81—C8—H83109.5
C24—Cr2—C794.66 (10)H82—C8—H83109.5
C23—Cr2—C795.80 (10)O11—C11—Cr1178.6 (2)
C25—Cr2—C7174.57 (9)O12—C12—Cr1176.6 (2)
C22—Cr2—C786.52 (9)O13—C13—Cr1175.7 (2)
C21—Cr2—C790.50 (9)O14—C14—Cr1175.9 (2)
C4—O1—C1107.61 (15)O15—C15—Cr1179.3 (3)
C2—C1—O1108.02 (18)O21—C21—Cr2176.7 (2)
C2—C1—C5134.18 (19)O22—C22—Cr2178.4 (2)
O1—C1—C5117.75 (17)O23—C23—Cr2175.7 (2)
C1—C2—C3107.76 (19)O24—C24—Cr2178.0 (3)
C1—C2—H2126.1O25—C25—Cr2179.5 (3)
C3—C2—H2126.1
C4—O1—C1—C20.9 (2)C14—Cr1—C5—O241.97 (19)
C4—O1—C1—C5176.76 (17)C12—Cr1—C5—C144.33 (17)
O1—C1—C2—C30.7 (2)C13—Cr1—C5—C1130.54 (16)
C5—C1—C2—C3176.4 (2)C11—Cr1—C5—C149.20 (16)
C1—C2—C3—C40.3 (3)C14—Cr1—C5—C1137.48 (16)
C1—O1—C4—C30.7 (2)C1—C5—O2—C6175.51 (19)
C1—O1—C4—C7179.20 (17)Cr1—C5—O2—C64.0 (3)
C2—C3—C4—O10.3 (2)O1—C4—C7—O3175.94 (17)
C2—C3—C4—C7179.6 (2)C3—C4—C7—O33.9 (3)
C2—C1—C5—O2179.2 (2)O1—C4—C7—Cr25.2 (3)
O1—C1—C5—O22.3 (2)C3—C4—C7—Cr2174.91 (19)
C2—C1—C5—Cr10.4 (3)C24—Cr2—C7—O349.6 (2)
O1—C1—C5—Cr1177.22 (13)C23—Cr2—C7—O340.3 (2)
C12—Cr1—C5—O2136.22 (19)C22—Cr2—C7—O3129.3 (2)
C13—Cr1—C5—O250.01 (19)C21—Cr2—C7—O3138.8 (2)
C11—Cr1—C5—O2130.25 (19)
 

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