Information card for entry 4303613

Structure parameters

• Formula: C9 H15 Cr Mn N8 O2
• Calculated formula: C9 H3 Cr Mn N8 O2
• Title of publication: Consecutive Irreversible Single-Crystal to Single-Crystal and Reversible Single-Crystal to Glass Transformations and Associated Magnetism of the Coordination Polymer, [MnII(rac-pnH)(H2O)CrIII(CN)6].H2O
• Authors of publication: Yusuke Yoshida; Katsuya Inoue; Mohamedally Kurmoo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10726 - 10736
• a: 7.6945 ± 0.0014 Å
• b: 14.543 ± 0.003 Å
• c: 7.9749 ± 0.0014 Å
• α: 90°
• β: 110.918 ± 0.003°
• γ: 90°
• Cell volume: 833.6 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No