Information card for entry 7010404

Structure parameters

• Formula: C13 H32 Cl Cu F6 N5 O3.5 P
• Calculated formula: C13 H29 Cl Cu F6 N5 O3.5 P
• 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: 6.5904 ± 0.0008 Å
• b: 17.471 ± 0.002 Å
• c: 19.014 ± 0.002 Å
• α: 90°
• β: 96.038 ± 0.002°
• γ: 90°
• Cell volume: 2177.1 ± 0.4 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections: 1.183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.35
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No