Information card for entry 4074938

Structure parameters

• Formula: C28 H35 Br N3 V
• Calculated formula: C28 H35 Br N3 V
• SMILES: Br[V]12345(N(C)C)[c]67[c]3([cH]4[cH]2[c]16CCN1C=5N(C=C1)c1c(cccc1C(C)C)C(C)C)cccc7
• 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: 8.208 ± 0.004 Å
• b: 9.877 ± 0.006 Å
• c: 17.305 ± 0.01 Å
• α: 100.63 ± 0.08°
• β: 97.83 ± 0.04°
• γ: 105.38 ± 0.05°
• Cell volume: 1303.8 ± 1.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0977
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No