Information card for entry 7706554

Structure parameters

• Formula: C64 H88 N4 V2
• Calculated formula: C64 H88 N4 V2
• Title of publication: A benzene-bridged divanadium complex-early transition metal catalyst for alkene alkylarylation with PhI(O₂CR)₂<i>via</i> decarboxylation.
• Authors of publication: Zhang, Lei; Zhou, Hongfei; Bai, Shaokun; Li, Shaodan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 9
• Pages of publication: 3201 - 3206
• a: 14.2394 ± 0.0004 Å
• b: 13.5889 ± 0.0003 Å
• c: 15.0927 ± 0.0004 Å
• α: 90°
• β: 106.363 ± 0.003°
• γ: 90°
• Cell volume: 2802.12 ± 0.13 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No