Information card for entry 4000382

Structure parameters

• Formula: C12 H11 Mn N9
• Calculated formula: C12 H11 Mn N9
• Title of publication: New two-dimensional manganese(II)-azido polymers with bidentate coligands: structure and magnetic properties
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• a: 10.8341 ± 0.0003 Å
• b: 10.2769 ± 0.0003 Å
• c: 13.0558 ± 0.0004 Å
• α: 90°
• β: 103.076 ± 0.0009°
• γ: 90°
• Cell volume: 1415.95 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0977
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No