Information card for entry 4128053

Structure parameters

• Formula: C45 H67 F6 K N3 Ni O8
• Calculated formula: C45 H67 F6 K N3 Ni O8
• Title of publication: Nitrosyl Linkage Isomers: NO Coupling to N₂O at a Mononuclear Site.
• Authors of publication: Kundu, Subrata; Phu, Phan N.; Ghosh, Pokhraj; Kozimor, Stosh A.; Bertke, Jeffery A.; Stieber, S Chantal E; Warren, Timothy H.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 4
• Pages of publication: 1415 - 1419
• a: 18.0758 ± 0.0008 Å
• b: 13.725 ± 0.0006 Å
• c: 20.4222 ± 0.0009 Å
• α: 90°
• β: 90.014 ± 0.003°
• γ: 90°
• Cell volume: 5066.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No