Information card for entry 7028019

Structure parameters

• Formula: C20 H44 Cu2 O18
• Calculated formula: C20 H44 Cu2 O18
• SMILES: [OH2][Cu]1234[O]=C(C)O[Cu]4([O]=C(C)O1)(OC(C)=[O]3)([O]=C(C)O2)[OH2].C1OCCOCCOCCOCCOCCOC1.O.O
• Title of publication: Hydrogen bonded polymers and oligomers from metal salts and 18-crown-6
• Authors of publication: Steed, Jonathan W.; McCool, Brian J.; Junk, Peter C.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 20
• Pages of publication: 3417
• a: 7.983 ± 0.003 Å
• b: 7.833 ± 0.003 Å
• c: 12.912 ± 0.005 Å
• α: 75.821 ± 0.002°
• β: 77.275 ± 0.002°
• γ: 90.455 ± 0.002°
• Cell volume: 761.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No