Information card for entry 7010398

Structure parameters

• Formula: C44 H112 Cl8 Cu4 N16 O26
• Calculated formula: C44 H112 Cl8 Cu4 N16 O26
• 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: 42.632 ± 0.003 Å
• b: 9.9729 ± 0.0008 Å
• c: 18.659 ± 0.001 Å
• α: 90°
• β: 101.365 ± 0.001°
• γ: 90°
• Cell volume: 7777.6 ± 0.9 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections: 1.201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.397
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No