Information card for entry 4128052

Structure parameters

• Formula: C47 H71 F6 K N5 Ni O7
• Calculated formula: C47 H71 F6 K N5 Ni O7
• 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: 12.6072 ± 0.0011 Å
• b: 24.653 ± 0.003 Å
• c: 21.555 ± 0.002 Å
• α: 90°
• β: 94.932 ± 0.005°
• γ: 90°
• Cell volume: 6674.6 ± 1.2 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: 0.0488
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No