Information card for entry 7106692

Structure parameters

• Formula: C64.5 H77.5 Cl2 Cu N10.5 O6.5
• Calculated formula: C45 H32 Cl2 Cu N4
• 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: 14.995 ± 0.003 Å
• b: 30.625 ± 0.007 Å
• c: 14.689 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6746 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 50
• Hermann-Mauguin space group symbol: P b a n :2
• Hall space group symbol: -P 2ab 2b
• Residual factor for all reflections: 0.1666
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.1891
• Weighted residual factors for all reflections included in the refinement: 0.2162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No