Information card for entry 8102040

Structure parameters

• Chemical name: tetraaqua-cis-bis(N-2-nitrobenzenesulfonylglycinato)manganese(II)
• Formula: C16 H22 Mn N4 O16 S2
• Calculated formula: C16 H22 Mn N4 O16 S2
• SMILES: [Mn](OC(=O)CNS(=O)(=O)c1c(N(=O)=O)cccc1)(OC(=O)CNS(=O)(=O)c1c(N(=O)=O)cccc1)([OH2])([OH2])([OH2])[OH2]
• Title of publication: Crystal structure of tetraaqua-cis-bis(N-2-nitrobenzenesulfonylglycinato) manganese(II), Mn(H~2~O)~4~(C~8~H~7~N~2~O~6~S)~2~
• Authors of publication: Ma, L.-F.; Zhong, F.; Zhang, G.-Y.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 4
• Pages of publication: 457 - 459
• a: 7.7703 ± 0.0007 Å
• b: 7.7228 ± 0.0007 Å
• c: 41.207 ± 0.004 Å
• α: 90°
• β: 91.627 ± 0.001°
• γ: 90°
• Cell volume: 2471.8 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.061
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No