Information card for entry 7101830

Structure parameters

• Formula: C39 H62 Cr2 N4 O
• Calculated formula: C39 H62 Cr2 N4 O
• SMILES: [Cr]123([Cr](=C4N(CN5C=1N(c1c(cccc1C(C)C)C(C)C)C=C5)C=CN4c1c(cccc1C(C)C)C(C)C)([CH3]2)([CH3]3)C)C.C(C)OCC
• Title of publication: A bimetallic N-heterocyclic carbene complex featuring a short Cr-Cr distance.
• Authors of publication: Kreisel, Kevin A; Yap, Glenn P A; Theopold, Klaus H
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 15
• Pages of publication: 1510 - 1511
• a: 12.3754 ± 0.0017 Å
• b: 17.081 ± 0.002 Å
• c: 18.753 ± 0.003 Å
• α: 90°
• β: 96.698 ± 0.002°
• γ: 90°
• Cell volume: 3937 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No