Information card for entry 7010395

Structure parameters

• Formula: C8 H22 Cl2 Cu N4 O8
• Calculated formula: C8 H22 Cl2 Cu N4 O8
• SMILES: [Cu]123(OCl(=O)(=O)=O)(OCl(=O)(=O)=O)[NH](CC(C)C[NH]2CC[NH2]3)CC[NH2]1
• 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: 8.368 ± 0.001 Å
• b: 24.884 ± 0.004 Å
• c: 8.508 ± 0.001 Å
• α: 90°
• β: 114.917 ± 0.003°
• γ: 90°
• Cell volume: 1606.7 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections: 0.941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No