Information card for entry 7008607

Structure parameters

• Formula: C12 H12 Mn N10 O2
• Calculated formula: C12 H12 Mn N10 O2
• SMILES: c12c3cccc[n]3[Mn]3([n]4c(c5n3nnn5)cccc4)([OH2])(n2nnn1)[OH2]
• Title of publication: Synthesis and structures of 5-(pyridyl)tetrazole complexes of Mn(II).
• Authors of publication: Lin, Ping; Clegg, William; Harrington, Ross W.; Henderson, Richard A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 14
• Pages of publication: 2388 - 2394
• a: 8.0643 ± 0.001 Å
• b: 13.0693 ± 0.0016 Å
• c: 7.3767 ± 0.0009 Å
• α: 90°
• β: 97.56 ± 0.002°
• γ: 90°
• Cell volume: 770.71 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0496
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No