Information card for entry 4076874

Structure parameters

• Formula: C18 H36 Cl2 N P2 V
• Calculated formula: C18 H36 Cl2 N P2 V
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]1[V]2345(Cl)(Cl)([P](C)(C)C)[P](C)(C)C)CCN1CCCCC1
• Title of publication: Synthesis and Structure of Amino-Functionalized Cyclopentadienyl Vanadium Complexes and Evaluation of Their Butadiene Polymerization Behavior
• Authors of publication: Bradley, Sam; Camm, Kenneth D.; Furtado, Stephen J.; Gott, Andrew L.; McGowan, Patrick C.; Podesta, Thomas J.; Thornton-Pett, Mark
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 16
• Pages of publication: 3443
• a: 7.7777 ± 0.0002 Å
• b: 12.3567 ± 0.0003 Å
• c: 25.3634 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2437.59 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No