Information card for entry 7008212

Structure parameters

• Formula: C22 H22 Cr O9
• Calculated formula: C22 H22 Cr O9
• SMILES: [Cr](=C(OCC)c1oc2c(c1)c(O)c(c(c2OCC)CC)CC)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Binuclear biscarbene complexes of furan.
• Authors of publication: Crause, Chantelle; Görls, Helmar; Lotz, Simon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 9
• Pages of publication: 1649 - 1657
• a: 7.569 ± 0.002 Å
• b: 10.524 ± 0.003 Å
• c: 14.093 ± 0.004 Å
• α: 88.52 ± 0.01°
• β: 78.24 ± 0.02°
• γ: 86.29 ± 0.02°
• Cell volume: 1096.6 ± 0.5 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No