Information card for entry 4071272

Structure parameters

• Formula: C37 H34 N V
• Calculated formula: C37 H34 N V
• SMILES: [V]12345678([N](CC[c]95[cH]1[cH]2[cH]3[cH]49)(C)C)[CH](c1ccccc1)=[C]6([C]7(c1ccccc1)=[CH]8c1ccccc1)c1ccccc1
• Title of publication: Vanadium (β-(Dimethylamino)ethyl)cyclopentadienyl Complexes with Diphenylacetylene Ligands
• Authors of publication: Liu, Guohua; Lu, Xiaoquan; Gagliardo, Marcella; Beetstra, Dirk J.; Meetsma, Auke; Hessen, Bart
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 10
• Pages of publication: 2316
• a: 9.5142 ± 0.0009 Å
• b: 30.774 ± 0.003 Å
• c: 10.501 ± 0.001 Å
• α: 90°
• β: 116.33 ± 0.002°
• γ: 90°
• Cell volume: 2755.6 ± 0.5 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0889
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No