Information card for entry 7008608

Structure parameters

• Formula: C15 H16 Mn N12 O4
• Calculated formula: C15 H16 Mn N12 O4
• SMILES: [Mn]([OH2])([OH]C)([OH2])([OH2])(n1nc(nn1)c1c(C#N)cncc1)[N]#Cc1cnccc1c1n[n-]nn1
• 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: 7.1817 ± 0.0017 Å
• b: 21.684 ± 0.005 Å
• c: 12.347 ± 0.003 Å
• α: 90°
• β: 94.789 ± 0.007°
• γ: 90°
• Cell volume: 1916.1 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.6948 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No