Information card for entry 7011918

Structure parameters

• Chemical name: 8-(4'-ammonio-2'-thiabutyl)-8-methyl-1-oxa-6,10-dithia-3,13-diazacyclo- tetradecane(chloro)cobalt(III) triperchlorate trihydrate
• Formula: C13 H36 Cl4 Co N3 O16 S3
• Calculated formula: C13 H30 Cl4 Co N3 O16 S3
• Title of publication: An unusual pendant-arm macrocycle formed by condensation of a cobalt(iii) tripodal complex with methanal
• Authors of publication: Angus, Patricia M.; Geue, Rodney J.; Jensen, Niels K. B.; Larsen, F. Krebs; Jin Qin, Chang; Sargeson, Alan M.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 22
• Pages of publication: 4260
• a: 8.0402 ± 0.0003 Å
• b: 32.169 ± 0.001 Å
• c: 11.859 ± 0.0004 Å
• α: 90°
• β: 109.662 ± 0.001°
• γ: 90°
• Cell volume: 2888.43 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.064
• Goodness-of-fit parameter for significantly intense reflections: 1.29
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No