Information card for entry 4076871

Structure parameters

• Formula: C22 H32 Cl N2 V
• Calculated formula: C22 H32 Cl N2 V
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]1[V]16782345([c]2([cH]8[cH]7[cH]6[cH]12)C1CCN(C)CC1)Cl)C1CCN(C)CC1
• 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: 7.4989 ± 0.0013 Å
• b: 10.0473 ± 0.0014 Å
• c: 15.745 ± 0.003 Å
• α: 106.673 ± 0.011°
• β: 93.165 ± 0.007°
• γ: 102.437 ± 0.011°
• Cell volume: 1101 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0664
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No