Information card for entry 2235926

Structure parameters

• Chemical name: Tetraaquabis[5-(pyridin-4-yl)tetrazolido <i>N</i>^5^-oxide-κ<i>N</i>^2^]manganese(II)
• Formula: C12 H16 Mn N10 O6
• Calculated formula: C12 H16 Mn N10 O6
• SMILES: c1(c2ccn(cc2)=O)nn(nn1)[Mn]([OH2])(n1nc(c2ccn(cc2)=O)nn1)([OH2])([OH2])[OH2]
• Title of publication: Tetraaquabis[5-(pyridin-4-yl)tetrazolido <i>N</i>^5^-oxide-κ<i>N</i>^2^]manganese(II)
• Authors of publication: Jing, Xiang; Luo, Ya
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: m1130
• a: 21.828 ± 0.002 Å
• b: 7.062 ± 0.0009 Å
• c: 11.3229 ± 0.0013 Å
• α: 90°
• β: 96.515 ± 0.01°
• γ: 90°
• Cell volume: 1734.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes