Information card for entry 2105985

Structure parameters

• Formula: C6 H22 I2 Mn N2 O8
• Calculated formula: C6 H22 I2 Mn N2 O8
• SMILES: [Mn]1([OH2])([OH2])([O]=C([C@H]([NH3+])C)O[Mn](O[C@H](O1)[C@@H]([NH3+])C)([OH2])[OH2])(OC(=O)[C@@H]([NH3+])C)OC(=O)[C@H]([NH3+])C.[I-].[I-].[I-].[I-].O.O.O.O
• Title of publication: Enantiopure and racemic alanine as bridging ligands in Ca and Mn chain polymers
• Authors of publication: Lamberts, Kevin; Möller, Andreas; Englert, Ulli
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: 989 - 998
• a: 4.794 ± 0.003 Å
• b: 20.114 ± 0.011 Å
• c: 9.482 ± 0.005 Å
• α: 90°
• β: 100.047 ± 0.01°
• γ: 90°
• Cell volume: 900.3 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1049
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes