Information card for entry 2202730

Structure parameters

• Common name: catena-Poly[benzylmethylammonium [[diaquadichloromanganese(II)]-μ-chloro]]]
• Chemical name: catena-Poly[benzylmethylammonium [[diaquadichloromanganese(II)]-μ-chloro]]]
• Formula: C8 H16 Cl3 Mn N O2
• Calculated formula: C8 H16 Cl3 Mn N O2
• SMILES: [Mn](Cl)(Cl)(Cl)([OH2])([OH2])[Cl][Mn](Cl)(Cl)([OH2])[OH2].[NH2+](C)Cc1ccccc1.[NH2+](C)Cc1ccccc1
• Title of publication: <i>catena</i>-Poly[benzylmethylammonium [[diaquadichloromanganate(II)]-μ-chloro]]
• Authors of publication: Maris, Thierry; Zouari, Ridha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: m1201 - m1203
• a: 24.959 ± 0.002 Å
• b: 11.951 ± 0.001 Å
• c: 9.192 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2741.8 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes