Information card for entry 1506398

Structure parameters

• Common name: Tetrachlorocyclopentadienylniobium(V) THF adduct
• Formula: C9 H13 Cl4 Nb O
• Calculated formula: C9 H13 Cl4 Nb O
• SMILES: C1CCC[O]1[Nb]1234(Cl)(Cl)(Cl)(Cl)[cH]5[cH]1[cH]2[cH]3[cH]45
• Title of publication: Solid-state 93Nb and 13C NMR investigations of half-sandwich niobium(I) and niobium(V) cyclopentadienyl complexes.
• Authors of publication: Lo, Andy Y. H.; Bitterwolf, Thomas E.; Macdonald, Charles L. B.; Schurko, Robert W.
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2005
• Journal volume: 109
• Journal issue: 32
• Pages of publication: 7073 - 7087
• a: 7.0665 ± 0.0005 Å
• b: 7.1523 ± 0.0005 Å
• c: 13.3112 ± 0.0009 Å
• α: 76.813 ± 0.001°
• β: 86.607 ± 0.001°
• γ: 69.37 ± 0.001°
• Cell volume: 612.86 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No