Information card for entry 2006027

Structure parameters

• Formula: C10 H10 Cl3 Mn N2 O
• Calculated formula: C10 H10 Cl3 Mn N2 O
• SMILES: [Mn]1(Cl)(Cl)(Cl)[n]2c(cccc2)c2[n]1cccc2.O
• Title of publication: Aqua(2,2'-bipyridyl-<i>N</i>,<i>N</i>')trichloromanganese(III)
• Authors of publication: Tesouro, A.; Corbella, M.; Stoeckli-Evans, H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 430 - 432
• a: 6.641 ± 0.001 Å
• b: 10.005 ± 0.002 Å
• c: 10.114 ± 0.003 Å
• α: 84.42 ± 0.02°
• β: 73.52 ± 0.01°
• γ: 78.45 ± 0.01°
• Cell volume: 630.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections: 0.2508
• Weighted residual factors for significantly intense reflections: 0.192
• Goodness-of-fit parameter for all reflections: 1.027
• Goodness-of-fit parameter for significantly intense reflections: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No