Information card for entry 7024929

Structure parameters

• Formula: C26 H30 Cl2 N3 V
• Calculated formula: C26 H30 Cl2 N3 V
• SMILES: [V]1234(Cl)(Cl)(#N)[cH]5[cH]4[cH]3[cH]2[cH]15.n1(c[n+](cc1)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: The synthesis and characterization of [IMesH](+)[(eta(3)-C(5)H(5))V(N)Cl(2)](-): An anionic vanadium(v) complex with a terminal nitrido ligand.
• Authors of publication: Johnson, Carl E.; Kysor, Everett A.; Findlater, Michael; Jasinski, Jerry P.; Metell, Andrew S.; Queen, Jonathan W.; Abernethy, Colin D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 14
• Pages of publication: 3482 - 3488
• a: 8.352 ± 0.0017 Å
• b: 8.798 ± 0.0018 Å
• c: 18.55 ± 0.004 Å
• α: 79.78 ± 0.03°
• β: 89.34 ± 0.03°
• γ: 72.16 ± 0.03°
• Cell volume: 1275.6 ± 0.5 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0404
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for all reflections: 0.1
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9386
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No