Information card for entry 8102033

Structure parameters

• Chemical name: bis(1,3-diaminepropane)carbonatomanganese(III) chloride monohydrate
• Formula: C7 H22 Cl Mn N4 O4
• Calculated formula: C7 H22 Cl Mn N4 O4
• SMILES: [Mn]123([NH2]CCC[NH2]1)([NH2]CCC[NH2]2)OC(=O)O3.O.[Cl-]
• Title of publication: Crystal structure of bis(1,3-diaminepropane)carbonato-manganese(III) chloride monohydrate, [Mn(C~3~H~10~N~2~)~2~(CO~3~)]Cl · H~2~O
• Authors of publication: Xu, S.-P.; Liu, C.-H.; Shao, J.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 3
• Pages of publication: 405 - 406
• a: 8.997 ± 0.002 Å
• b: 6.781 ± 0.002 Å
• c: 21.398 ± 0.006 Å
• α: 90°
• β: 91.81 ± 0.01°
• γ: 90°
• Cell volume: 1304.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0626
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No