Information card for entry 4074936

Structure parameters

• Formula: C36 H37 K N2
• Calculated formula: C36 H37 K N2
• SMILES: [c]1n(ccn1CC[c-]1c2c(c3c1cccc3)cccc2)c1c(C(C)C)cccc1C(C)C.c1ccccc1.[K+]
• Title of publication: Indenyl- and Fluorenyl-Functionalized N-Heterocyclic Carbene Complexes of Titanium and Vanadium
• Authors of publication: Downing, Stephen P.; Danopoulos, Andreas A.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 6
• Pages of publication: 1337 - 1340
• a: 20.531 ± 0.007 Å
• b: 13.027 ± 0.004 Å
• c: 23.378 ± 0.008 Å
• α: 90°
• β: 92.22 ± 0.005°
• γ: 90°
• Cell volume: 6248 ± 4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.122
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.1773
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.6868 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No