Information card for entry 4311041

Structure parameters

• Formula: Cl4 H12 Mn N2 O2
• Calculated formula: Cl4 H12 Mn N2 O2
• Title of publication: Synthesis of [NH4]MnCl2(OAc) and [NH4]2MnCl4(H2O)2 by Solvothermal Dehydration and Structure/Property Correlations in a One-Dimensional Antiferromagnet
• Authors of publication: James D. Martin; Ryan F. Hess; Paul D. Boyle
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3242 - 3247
• a: 7.525 ± 0.0005 Å
• b: 7.525 ± 0.0005 Å
• c: 8.276 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 468.63 ± 0.11 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.049
• Goodness-of-fit parameter for significantly intense reflections: 1.47
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No