Information card for entry 4066758

Structure parameters

• Formula: C38 H34 B N2 V
• Calculated formula: C38 H34 B N2 V
• SMILES: [V]12345678([n]9ccncc9)([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]8[cH]7[cH]6[cH]51.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Bridging Azines in the Coordination Sphere of Low-Valent Vanadocene Derivatives†
• Authors of publication: Jordan, Markus; Saak, Wolfgang; Haase, Detlev; Beckhaus, Rüdiger
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 22
• Pages of publication: 5859
• a: 20.7795 ± 0.001 Å
• b: 9.492 ± 0.0006 Å
• c: 15.3284 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3023.4 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 0.77
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No