Information card for entry 7106690

Structure parameters

• Formula: C48 H39 N5 O
• Calculated formula: C48 H39 N5 O
• Title of publication: A tetrapyridine ligand with a rigid tetrahedral core forms metal-organic frameworks with PtS type architecture
• Authors of publication: Christopher; B.; Caputo,; V.; Nicholas; Vukotic,; Natalie; M.; Sirizzotti; and; Stephen; J.; Loeb; Christopher Caputo; V. Nicholas Vukotic; Natalie Sirizzotti; Stephen Loeb
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 8545
• a: 27.985 ± 0.004 Å
• b: 7.0302 ± 0.0009 Å
• c: 21.501 ± 0.003 Å
• α: 90°
• β: 121.062 ± 0.001°
• γ: 90°
• Cell volume: 3623.6 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0679
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No