Information card for entry 7703000

Structure parameters

• Formula: C68 H88 Cl N10 O3 V2
• Calculated formula: C68 H88 Cl N10 O3 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: 10.5713 ± 0.0009 Å
• b: 16.0342 ± 0.0011 Å
• c: 19.4152 ± 0.0015 Å
• α: 94.679 ± 0.006°
• β: 95.011 ± 0.006°
• γ: 99.765 ± 0.005°
• Cell volume: 3215.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2001
• Residual factor for significantly intense reflections: 0.1087
• Weighted residual factors for significantly intense reflections: 0.2749
• Weighted residual factors for all reflections included in the refinement: 0.343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No