Information card for entry 4078364

Structure parameters

• Formula: C18 H37 Cl2 Nb P2
• Calculated formula: C18 H37 Cl2 Nb P2
• SMILES: [Nb]1234(Cl)(Cl)([P](CC)(CC)CC)([P](CC)(CC)CC)[cH]5[cH]1[cH]2[cH]3[c]45C
• Title of publication: Synthesis and Properties of Cyclopentadienylniobium(III) Complexes. A Magneto−Structural Correlation for 16-Electron Four-Legged Piano Stool Complexes†
• Authors of publication: Fettinger, J. C.; Keogh, D. Webster; Kraatz, Heinz-Bernhard; Poli, Rinaldo
• Journal of publication: Organometallics
• Year of publication: 1996
• Journal volume: 15
• Journal issue: 26
• Pages of publication: 5489
• a: 8.0735 ± 0.0005 Å
• b: 13.9677 ± 0.0009 Å
• c: 20.458 ± 0.002 Å
• α: 90°
• β: 90.3421 ± 0.0007°
• γ: 90°
• Cell volume: 2307 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0808
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections: 0.1382
• Weighted residual factors for significantly intense reflections: 0.1193
• Goodness-of-fit parameter for all reflections: 1.038
• Goodness-of-fit parameter for significantly intense reflections: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No