Information card for entry 4329367

Structure parameters

• Formula: C18 H10 N5 Nd O7
• Calculated formula: C18 H10 N5 Nd O7
• Title of publication: Insertion of Functional Groups into a Nd3+ Metal-Organic Framework via Single-Crystal-to-Single-Crystal Coordinating Solvent Exchange
• Authors of publication: Manolis J. Manos; Eleni J. Kyprianidou; Giannis S. Papaefstathiou; Anastasios J. Tasiopoulos
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 6308 - 6314
• a: 28.9274 ± 0.0017 Å
• b: 13.8282 ± 0.0007 Å
• c: 13.1654 ± 0.0011 Å
• α: 90°
• β: 102.34 ± 0.007°
• γ: 90°
• Cell volume: 5144.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No