Information card for entry 7024928

Structure parameters

• Formula: C26 H30 Cl3 N2 V
• Calculated formula: C26 H30 Cl3 N2 V
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[V]2345(Cl)(Cl)Cl.c1n(cc[n+]1c1c(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: 29.543 ± 0.006 Å
• b: 14.71 ± 0.003 Å
• c: 14.792 ± 0.003 Å
• α: 90°
• β: 94.19 ± 0.03°
• γ: 90°
• Cell volume: 6411 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1041
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.1834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No