Information card for entry 2219025

Structure parameters

• Chemical name: Diaquabis[5-(2-pyridylmethyl)tetrazolato-κ^2^N^1^,N^5^]manganese(II)
• Formula: C14 H16 Mn N10 O2
• Calculated formula: C14 H16 Mn N10 O2
• SMILES: [Mn]12([OH2])([OH2])(n3c(nnn3)Cc3cccc[n]13)n1c(nnn1)Cc1cccc[n]12
• Title of publication: Diaquabis[5-(2-pyridylmethyl)tetrazolato-κ^2^<i>N</i>^1^,<i>N</i>^5^]manganese(II)
• Authors of publication: Wang, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m999
• a: 6.639 ± 0.002 Å
• b: 13.788 ± 0.005 Å
• c: 8.771 ± 0.003 Å
• α: 90°
• β: 90.01 ± 0.05°
• γ: 90°
• Cell volume: 802.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0684
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1649
• Weighted residual factors for all reflections included in the refinement: 0.1725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes