Information card for entry 7702999

Structure parameters

• Common name: AL-II-062
• Formula: C72 H100 N12 O2 V2
• Calculated formula: C72 H100 N12 O2 V2
• Title of publication: Synthesis, characterization, DFT calculations, and reactivity study of a nitrido-bridged dimeric vanadium(iv) complex.
• Authors of publication: Lugosan, Adriana; Cundari, Thomas; Fleming, Kristin; Dickie, Diane A.; Zeller, Matthias; Ghannam, Jack; Lee, Wei-Tsung
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 4
• Pages of publication: 1200 - 1206
• a: 11.705 ± 0.0012 Å
• b: 12.9909 ± 0.0014 Å
• c: 13.1353 ± 0.0015 Å
• α: 96.537 ± 0.007°
• β: 110.688 ± 0.006°
• γ: 106.507 ± 0.007°
• Cell volume: 1739.7 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1196
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No