Information card for entry 2005239

Structure parameters

• Formula: C10 H35 Cl2.5 Co0.5 Mn0.5 N4 O5.5
• Calculated formula: C10 H32 Cl3 Co0.5 Mn0.5 N4 O5
• Title of publication: Three Metal (1,4,8,11-Tetraazacyclotetradecane) Halide Salts
• Authors of publication: Chen, X.; Long, G.; Willett, R. D.; Hawks, T.; Molnar, S.; Brewer, K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 1924 - 1928
• a: 6.415 ± 0.002 Å
• b: 7.427 ± 0.002 Å
• c: 21.074 ± 0.004 Å
• α: 90°
• β: 90.99 ± 0.03°
• γ: 90°
• Cell volume: 1003.9 ± 0.5 ų
• Cell temperature: 295 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: 0.065
• Weighted residual factors for significantly intense reflections: 0.073
• Goodness-of-fit parameter for significantly intense reflections: 1.23
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No