Information card for entry 7010402

Structure parameters

• Formula: C17 H50 Cu2 N12 O15
• Calculated formula: C17 H46 Cu2 N12 O15
• Title of publication: Inter- and intra-molecular pathways in polyamine synthesis from diamines †
• Authors of publication: Choi, Min-Ho; Kim, Bok Jo; Kim, Il-Chool; Kim, Seo-Hyang; Kim, Yang; Harrowfield, Jack M.; Lee, Man-Kil; Mocerino, Mauro; Rukmini, Elisabeth; Skelton, Brian W.; White, Allan H.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 5
• Pages of publication: 707
• a: 22.843 ± 0.009 Å
• b: 18.422 ± 0.006 Å
• c: 15.489 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6518 ± 4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections: 1.383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.486
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No