Information card for entry 4130156

Structure parameters

• Formula: C50 H85 Cl2 N Nb O P2
• Calculated formula: C38 H57 Cl2 N Nb O P2
• Title of publication: A Terminally Bound Niobium Methylidyne.
• Authors of publication: Kurogi, Takashi; Carroll, Patrick J.; Mindiola, Daniel J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 13
• Pages of publication: 4306 - 4309
• a: 13.2018 ± 0.0004 Å
• b: 13.2018 ± 0.0004 Å
• c: 57.5706 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10033.8 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.285
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No