Information card for entry 2206727

Structure parameters

• Chemical name: Bis(piperazinium) di-μ-chloro-bis[diaquadichloromanganese(II)] dichloride
• Formula: C8 H32 Cl8 Mn2 N4 O4
• Calculated formula: C8 H32 Cl8 Mn2 N4 O4
• SMILES: C1C[NH2+]CC[NH2+]1.[Mn]1([OH2])([OH2])([Cl][Mn]([OH2])([OH2])([Cl]1)(Cl)Cl)(Cl)Cl.[Cl-].C1C[NH2+]CC[NH2+]1.[Cl-]
• Title of publication: Bis(piperazinium) di-μ-chloro-bis[diaquadichloromanganate(II)] dichloride
• Authors of publication: Zhi-Min Jin; Li Li; Nan Sun; Mao-Lin Hu; Liang Shen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: m1711 - m1713
• a: 9.865 ± 0.002 Å
• b: 9.429 ± 0.001 Å
• c: 13.506 ± 0.002 Å
• α: 90°
• β: 101.74 ± 0.01°
• γ: 90°
• Cell volume: 1230 ± 0.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.0279
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes