Information card for entry 4076876

Structure parameters

• Formula: C11 H16 Cl2 Cr N
• Calculated formula: C11 H16 Cl2 Cr N
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]1[Cr]3456([N]1(CCC2CC1)C)(Cl)Cl
• 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: 7.8994 ± 0.0001 Å
• b: 12.6044 ± 0.0002 Å
• c: 12.09 ± 0.0003 Å
• α: 90°
• β: 98.014 ± 0.0008°
• γ: 90°
• Cell volume: 1192.01 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No