Information card for entry 7029172

Structure parameters

• Chemical name: trichloro(N,N,N',N'-tetramethylethane-1,2-diamine)oxidoniobium(V)
• Formula: C6 H16 Cl3 N2 Nb O
• Calculated formula: C6 H16 Cl3 N2 Nb O
• SMILES: [Nb]1(Cl)(Cl)(Cl)(=O)[N](C)(C)CC[N]1(C)C
• Title of publication: Synthesis, properties and structures of NbOF3 complexes and comparisons with NbOCl3 analogues.
• Authors of publication: Levason, William; Reid, Gillian; Trayer, Jonathan; Zhang, Wenjian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 9
• Pages of publication: 3649 - 3659
• a: 14.352 ± 0.007 Å
• b: 7.368 ± 0.004 Å
• c: 11.781 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1245.8 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No