Information card for entry 4112487

Structure parameters

• Formula: C176 H178 N24 O98 Tm14
• Calculated formula: C176 H112 N24 O95.6 Tm14
• 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: 19.322 ± 0.003 Å
• b: 19.322 ± 0.003 Å
• c: 33.829 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12630 ± 4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 126
• Hermann-Mauguin space group symbol: P 4/n n c :2
• Hall space group symbol: -P 4a 2bc
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections: 0.1894
• Weighted residual factors for significantly intense reflections: 0.1472
• Goodness-of-fit parameter for all reflections: 1.068
• Goodness-of-fit parameter for significantly intense reflections: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No