Information card for entry 2210472

Structure parameters

• Chemical name: Aquaazidobis(2,2'-bipyridine)manganese(II) perchlorate
• Formula: C20 H18 Cl Mn N7 O5
• Calculated formula: C20 H18 Cl Mn N7 O5
• SMILES: [Mn]12([n]3ccccc3c3cccc[n]13)([n]1ccccc1c1cccc[n]21)(N=N#N)[OH2].Cl(=O)(=O)(=O)[O-]
• Title of publication: Aquaazidobis(2,2'-bipyridine)manganese(II) perchlorate
• Authors of publication: Min Shao; Zhi-Xin Miao; Ming-Xing Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2575 - m2577
• a: 9.0144 ± 0.0003 Å
• b: 14.4325 ± 0.0005 Å
• c: 17.5808 ± 0.0006 Å
• α: 90°
• β: 95.57 ± 0.002°
• γ: 90°
• Cell volume: 2276.47 ± 0.13 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• 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: 0.052
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes