Information card for entry 1512622

Structure parameters

• Formula: C12 H8 Mn N4 O3
• Calculated formula: C12 H8 Mn N4 O3
• Title of publication: Mixed-bridging manganese(II) and copper(II) complexes with azide and pyridylbenzoate N-oxide: Structures and magnetic properties
• Authors of publication: Xiu-Mei Zhang; Wei Gao; Jie-Ping Liu; En-Qing Gao
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 392
• Pages of publication: 311 - 316
• a: 8.1675 ± 0.0002 Å
• b: 23.4539 ± 0.0006 Å
• c: 6.5517 ± 0.0002 Å
• α: 90°
• β: 100.814 ± 0.001°
• γ: 90°
• Cell volume: 1232.75 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0319
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0767
• 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: No