Information card for entry 1557167

Structure parameters

• Common name: [Nb(BzNPy)2Cl3]
• Formula: C24 H22 Cl3 N4 Nb
• Calculated formula: C31 Cl3 N4 Nb
• SMILES: [Nb]12(Cl)(Cl)(Cl)([n]3c(N1Cc1ccccc1)cccc3)[n]1c(N2Cc2ccccc2)cccc1.c1(ccccc1)C
• Title of publication: Syntheses and Crystal Structures of Bis[2-(benzylamido)pyridine]trichloro Complexes of Niobium(V) and Tantalum(V)
• Authors of publication: Polamo, Mika; Leskela, Markku
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1997
• Journal volume: 51
• Pages of publication: 449 - 454
• a: 18.292 ± 0.008 Å
• b: 19.904 ± 0.015 Å
• c: 17.646 ± 0.01 Å
• α: 90°
• β: 109.47 ± 0.04°
• γ: 90°
• Cell volume: 6057 ± 6 ų
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1078
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.2283
• Weighted residual factors for all reflections included in the refinement: 0.2448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No