Information card for entry 7203169

Structure parameters

• Formula: C18 H22 Cu N2 O8
• Calculated formula: C18 H22 Cu N2 O8
• SMILES: [Cu]123([n]4cccc5c4c4c(ccc[n]24)cc5)(OC(=O)[C@H](C)[OH]1)OC(=O)[C@H](C)[OH]3.[Cu]123([n]4cccc5c4c4c(ccc[n]24)cc5)(OC(=O)[C@@H](C)[OH]1)OC(=O)[C@@H](C)[OH]3.O.O.O.O
• Title of publication: Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline
• Authors of publication: Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 167
• a: 12.6879 ± 0.0012 Å
• b: 27.985 ± 0.003 Å
• c: 10.8363 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3847.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No