Information card for entry 4111403

Structure parameters

• Formula: C13 H25 K N2 O8
• Calculated formula: C13 H25 K N2 O8
• SMILES: [K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.N(=CN=O)[O-]
• Title of publication: Blue Alkali Dinitrosomethanides: Synthesis, Structure, and Bonding
• Authors of publication: Harald Brand; Peter Mayer; Kurt Polborn; Axel Schulz; Jan J. Weigand
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 1360 - 1361
• a: 8.2137 ± 0.0008 Å
• b: 14.215 ± 0.002 Å
• c: 7.9909 ± 0.001 Å
• α: 90°
• β: 99.816 ± 0.009°
• γ: 90°
• Cell volume: 919.3 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for all reflections: 0.1122
• Weighted residual factors for significantly intense reflections: 0.1033
• Goodness-of-fit parameter for all reflections: 1.105
• Goodness-of-fit parameter for significantly intense reflections: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No