Information card for entry 4112485

Structure parameters

• Formula: C6 H4 K N O3
• Calculated formula: C6 H4 K N O3
• SMILES: [K+].N(=O)(=O)c1c([O-])cccc1
• Title of publication: Nitrophenolate as a Building Block for Lanthanide Chains, Layers, and Clusters
• Authors of publication: Markus R. Bürgstein; Michael T. Gamer; Peter W. Roesky
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 5213 - 5218
• a: 3.6647 ± 0.0007 Å
• b: 24.225 ± 0.005 Å
• c: 7.606 ± 0.0015 Å
• α: 90°
• β: 95.45 ± 0.03°
• γ: 90°
• Cell volume: 672.2 ± 0.2 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• 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: 0.0301
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for all reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.0648
• Goodness-of-fit parameter for all reflections: 1.097
• Goodness-of-fit parameter for significantly intense reflections: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No