Information card for entry 2005238

Structure parameters

• Formula: C10 H36 Cl2 Mn0.66 N4 Ni0.34 O6
• Calculated formula: C10 H36 Cl2 Mn0.66 N4 Ni0.34 O6
• 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: 9.892 ± 0.002 Å
• b: 6.508 ± 0.002 Å
• c: 16.648 ± 0.003 Å
• α: 90°
• β: 107.16 ± 0.03°
• γ: 90°
• Cell volume: 1024 ± 0.5 ų
• Cell temperature: 295 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.13
• Goodness-of-fit parameter for significantly intense reflections: 1.2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No