Information card for entry 4323538

Structure parameters

• Formula: C48 H68 Cl6 Nb2 O4
• Calculated formula: C52 H80 Cl6 Nb2 O4
• Title of publication: Structural Distortions in Six-Coordinate Adducts of Niobium(V) and Tantalum(V)
• Authors of publication: Janet R. Clark; April L. Pulvirenti; Phillip E. Fanwick; Michaelis Sigalas; Odile Eisenstein; Ian P. Rothwell
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 3623 - 3631
• a: 12.735 ± 0.002 Å
• b: 15.527 ± 0.003 Å
• c: 13.62 ± 0.002 Å
• α: 90°
• β: 90.607 ± 0.014°
• γ: 90°
• Cell volume: 2693 ± 0.8 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.183
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections: 0.194
• Weighted residual factors for significantly intense reflections: 0.121
• Goodness-of-fit parameter for all reflections: 1.129
• Goodness-of-fit parameter for significantly intense reflections: 0.997
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No