Information card for entry 4128055

Structure parameters

• Chemical name: {[iPr2NNF6]NiOH}2
• Formula: C58 H72 F12 N4 Ni2 O2
• Calculated formula: C58 H71.548 F12 N4 Ni2 O2
• 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: 11.6731 ± 0.001 Å
• b: 13.2679 ± 0.0011 Å
• c: 20.9329 ± 0.0018 Å
• α: 82.644 ± 0.001°
• β: 76.384 ± 0.001°
• γ: 65.613 ± 0.001°
• Cell volume: 2868 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No