Information card for entry 7113122

Structure parameters

• Formula: C16 H40 Cl3 Mn2 N8 O6
• Calculated formula: C16 H40 Cl3 Mn2 N8 O6
• SMILES: C1C[NH]2CC[NH]3[Mn]4562([NH]1CC[NH]6CC3)O[Mn]1235([NH]5CC[NH]1CC[NH]2CC[NH]3CC5)O4.Cl(=O)(=O)(=O)[O-].[Cl-].[Cl-]
• Title of publication: Nanostructured microspheres of MnO2 formed by room temperature solution processing
• Authors of publication: Hill, Jonathan P.; Alam, Sher; Ariga, Katsuhiko; Anson, Christopher E.; Powell, Annie K.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2008
• Journal issue: 3
• Pages of publication: 383 - 385
• a: 22.385 ± 0.0014 Å
• b: 9.1934 ± 0.0005 Å
• c: 13.2424 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2725.2 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0954
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7102820
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No