Information card for entry 4318414

Structure parameters

• Formula: C42 H64 Cl2 N2 O0.5 Ta2
• Calculated formula: C42.5 H60 Cl2 N2 Ta2
• Title of publication: A New Tantalum Dinitrogen Complex and a Parahydrogen-Induced Polarization Study of Its Reaction with Hydrogen
• Authors of publication: Dawn C. Bregel; Susan M. Oldham; Rene J. Lachicotte; Richard Eisenberg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4371 - 4377
• a: 9.265 ± 0.0002 Å
• b: 28.1964 ± 0.0004 Å
• c: 19.0302 ± 0.0003 Å
• α: 90°
• β: 99.337 ± 0.001°
• γ: 90°
• Cell volume: 4905.58 ± 0.15 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• 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: 0.0698
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections: 0.1571
• Weighted residual factors for significantly intense reflections: 0.1486
• Goodness-of-fit parameter for all reflections: 1.091
• Goodness-of-fit parameter for significantly intense reflections: 1.192
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No