Information card for entry 4128051

Structure parameters

• Formula: C41 H59 F6 K N4 Ni O8
• Calculated formula: C41 H59 F6 K N4 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: 13.2803 ± 0.0005 Å
• b: 19.4633 ± 0.0008 Å
• c: 19.2148 ± 0.0008 Å
• α: 90°
• β: 97.5485 ± 0.0014°
• γ: 90°
• Cell volume: 4923.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0482
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No