Information card for entry 7017919

Structure parameters

• Formula: C21 H41 Cl N Nb O4
• Calculated formula: C21 H41 Cl N Nb O4
• SMILES: [Nb](Cl)(OC(C)(C)C)(OC(C)(C)C)([n]1ccccc1)(OC(C)(C)C)OC(C)(C)C
• Title of publication: New iso-propoxides, tert-butoxides and neo-pentoxides of niobium(v): Synthesis, structure, characterization and stabilization by trifluoroheteroarylalkenolates and pyridine ligands.
• Authors of publication: Appel, Linus; Fiz, Raquel; Tyrra, Wieland; Mathur, Sanjay
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 7
• Pages of publication: 1981 - 1990
• a: 16.5068 ± 0.0013 Å
• b: 9.9031 ± 0.0005 Å
• c: 17.1689 ± 0.0014 Å
• α: 90°
• β: 105.61 ± 0.006°
• γ: 90°
• Cell volume: 2703.1 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• 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: 0.0578
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No