Information card for entry 4129740

Structure parameters

• Formula: C46 H70 Cl0.15 N2 O P2.55 V
• Calculated formula: C46 H70 Cl0.15 N2 O P2.55 V
• Title of publication: Cyclo-P₃ Complexes of Vanadium: Redox Properties and Origin of the ³¹P NMR Chemical Shift.
• Authors of publication: Pinter, Balazs; Smith, Kyle T.; Kamitani, Masahiro; Zolnhofer, Eva M.; Tran, Ba L.; Fortier, Skye; Pink, Maren; Wu, Gang; Manor, Brian C.; Meyer, Karsten; Baik, Mu-Hyun; Mindiola, Daniel J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 48
• Pages of publication: 15247 - 15261
• a: 13.1916 ± 0.001 Å
• b: 17.3669 ± 0.0013 Å
• c: 19.9287 ± 0.0016 Å
• α: 90°
• β: 90.145 ± 0.003°
• γ: 90°
• Cell volume: 4565.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• 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: 0.0966
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No