Information card for entry 7045591

Structure parameters

• Formula: C28.5 H31 Cl7 N3 Nb
• Calculated formula: C28.5 H31 Cl7 N3 Nb
• Title of publication: Stable coordination complexes of α-diimines with Nb(v) and Ta(v) halides.
• Authors of publication: Bartalucci, Niccolò; Bortoluzzi, Marco; Pampaloni, Guido; Pinzino, Calogero; Zacchini, Stefano; Marchetti, Fabio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 10
• Pages of publication: 3346 - 3355
• a: 8.3272 ± 0.0006 Å
• b: 18.4834 ± 0.0012 Å
• c: 22.5408 ± 0.0015 Å
• α: 90°
• β: 97.617 ± 0.004°
• γ: 90°
• Cell volume: 3438.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0909
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1984
• Weighted residual factors for all reflections included in the refinement: 0.22
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No