Information card for entry 7045587

Structure parameters

• Formula: C26 H36 Br10 N2 Nb2
• Calculated formula: C26 H36 Br10 N2 Nb2
• SMILES: [Nb](Br)(Br)(Br)(Br)(Br)[Br-].[Nb]1(Br)(Br)(Br)(Br)[N](=CC=[N]1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• 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: 10.805 ± 0.004 Å
• b: 13.497 ± 0.004 Å
• c: 13.691 ± 0.005 Å
• α: 90°
• β: 109.104 ± 0.004°
• γ: 90°
• Cell volume: 1886.7 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1431
• Residual factor for significantly intense reflections: 0.0931
• Weighted residual factors for significantly intense reflections: 0.2153
• Weighted residual factors for all reflections included in the refinement: 0.2441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No