Information card for entry 4511107

Structure parameters

• Common name: {dipic[Cu(II)H2O]}[0.5(py)](H2O)
• Formula: C18 H18 Cu2 N4 O12
• Calculated formula: C18 H18 Cu2 N4 O12
• SMILES: c12C(=O)O[Cu]3([n]1c(ccc2)C(=O)O3)([n]1cc[n](cc1)[Cu]12([n]3c(cccc3C(=O)O1)C(=O)O2)[OH2])[OH2].O.O
• Title of publication: Solvent Control of Supramolecular Architectures Derived from 4,4′-Bipyridyl-Bridged Copper(II) Dipicolinate Complexes
• Authors of publication: Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire; Schröder, Martin
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 4685
• a: 5.7518 ± 0.0005 Å
• b: 15.3395 ± 0.0012 Å
• c: 11.9495 ± 0.001 Å
• α: 90°
• β: 92.54 ± 0.001°
• γ: 90°
• Cell volume: 1053.27 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No