Information card for entry 7008609

Structure parameters

• Formula: C12 H20 Mn N10 O6
• Calculated formula: C12 H20 Mn N10 O6
• SMILES: c1cc(cc[n]1[Mn]([OH2])([n]1ccc(cc1)c1[n-]nnn1)([OH2])([OH2])[OH2])c1[n-]nnn1.O.O
• 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: 7.3932 ± 0.0007 Å
• b: 7.8646 ± 0.0007 Å
• c: 8.5723 ± 0.0008 Å
• α: 91.007 ± 0.002°
• β: 93.011 ± 0.002°
• γ: 100.789 ± 0.002°
• Cell volume: 488.76 ± 0.08 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No