Information card for entry 7028091

Structure parameters

• Chemical name: bis{[N,N'-bis(2-hydroxyiminopropionyl)-1,4-diaminobutane (1-)] [aqua] copper(II)} diperchlorate dihydrate
• Formula: C10 H21 Cl Cu N4 O10
• Calculated formula: C10 H21 Cl Cu N4 O10
• Title of publication: A short intramolecular hydrogen bond is a key factor in the self-assembly of a dimeric complex with a 22-membered metallamacrocyclic cavity
• Authors of publication: Fritsky, Igor O.; Kozłowski, Henryk; Prisyazhnaya, Elena V.; Karaczyn, Aldona; Kalibabchuk, Valentina A.; Głowiak, Tadeusz
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 10
• Pages of publication: 1535
• a: 8.734 ± 0.002 Å
• b: 9.497 ± 0.002 Å
• c: 11.988 ± 0.002 Å
• α: 103.2 ± 0.03°
• β: 90.87 ± 0.03°
• γ: 107.56 ± 0.03°
• Cell volume: 919.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections: 0.1393
• Weighted residual factors for significantly intense reflections: 0.1294
• Goodness-of-fit parameter for all reflections: 1.068
• Goodness-of-fit parameter for significantly intense reflections: 1.152
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No