Information card for entry 7001803

Structure parameters

• Formula: C2 H4 Mn N4 O4
• Calculated formula: C2 H4 Mn N4 O4
• Title of publication: Structure, magnetism and DFT studies of dinuclear and chain complexes containing the tetrazolate-5-carboxylate multidentate bridging ligand
• Authors of publication: Rodríguez-Diéguez, Antonio; Mota, Antonio J.; Cano, Joan; Ruiz, José; Choquesillo-Lazarte, Duane; Colacio, Enrique
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 32
• Pages of publication: 6335 - 6344
• a: 6.352 ± 0.005 Å
• b: 6.435 ± 0.005 Å
• c: 15.131 ± 0.005 Å
• α: 90°
• β: 97.833 ± 0.005°
• γ: 90°
• Cell volume: 612.7 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0689
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No