Information card for entry 7130748

Structure parameters

• Formula: C40.5 H64 Cl2 N3 Nb P2
• Calculated formula: C40.5 H64 Cl2 N3 Nb P2
• Title of publication: Ligand Non-Innocence Allows Isolation of a Neutral and Terminal Niobium Nitride
• Authors of publication: Senthil, Shuruthi; Kwon, Seongyeon; Lim, Hoyoung; Gau, Michael; Baik, Mu-Hyun; Mindiola, Daniel J.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 15.9677 ± 0.0004 Å
• b: 12.7824 ± 0.0004 Å
• c: 21.3828 ± 0.0008 Å
• α: 90°
• β: 103.243 ± 0.003°
• γ: 90°
• Cell volume: 4248.3 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 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: 0.1035
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.1812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No