Information card for entry 2204724

Structure parameters

• Chemical name: Bis(2,2':6',2''-terpyridyl-κ^3^N)manganese(II) bis(nitrate) dihydrate
• Formula: C30 H26 Mn N8 O8
• Calculated formula: C30 H26 Mn N8 O8
• SMILES: c1[n]2c(c3cccc4[n]3[Mn]352([n]2ccccc2c2[n]3c(c3[n]5cccc3)ccc2)[n]2ccccc42)ccc1.N(=O)(=O)[O-].O.N(=O)(=O)[O-].O
• Title of publication: Bis(2,2':6',2''-terpyridyl-κ^3^<i>N</i>)manganese(II) dinitrate dihydrate
• Authors of publication: Rompel, Annette; Bond, Andrew D.; McKenzie, Christine J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m1759 - m1760
• a: 12.3571 ± 0.0001 Å
• b: 12.3571 ± 0.0001 Å
• c: 38.6211 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5897.36 ± 0.11 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes