Information card for entry 4066756

Structure parameters

• Formula: C22 H18 N2 V
• Calculated formula: C22 H18 N2 V
• SMILES: [V]123456789([C](#[C]1c1ccncc1)c1ccncc1)([cH]1[cH]5[cH]4[cH]3[cH]21)[cH]1[cH]6[cH]7[cH]8[cH]91
• 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: 7.9771 ± 0.0007 Å
• b: 14.1609 ± 0.0017 Å
• c: 15.86 ± 0.002 Å
• α: 89.351 ± 0.015°
• β: 87.114 ± 0.013°
• γ: 75.525 ± 0.012°
• Cell volume: 1732.5 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 0.695
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No