Information card for entry 2237625

Structure parameters

• Chemical name: [2-(2,2':4',2''-Terpyridin-6'-yl-κ^2^<i>N</i>^1^,<i>N</i>^1'^)benzoato-κ<i>O</i>]manganese(II) trihydrate
• Formula: C44 H34 Mn N6 O7
• Calculated formula: C44 H34 Mn N6 O7
• SMILES: c12cc(cc3c4ccccc4C(=O)O[Mn]45([n]23)([n]2c1cccc2)[n]1c(c2cccc[n]42)cc(cc1c1ccccc1C(=O)O5)c1ccccn1)c1ccccn1.O.O.O
• Title of publication: [2-(2,2':4',2''-Terpyridin-6'-yl-κ^2^<i>N</i>^1^,<i>N</i>^1'^)benzoato-κ<i>O</i>]manganese(II) trihydrate
• Authors of publication: Liu, Xinzheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: m204
• a: 11.157 ± 0.002 Å
• b: 12.141 ± 0.002 Å
• c: 15.517 ± 0.003 Å
• α: 82.79 ± 0.03°
• β: 84.19 ± 0.03°
• γ: 70.59 ± 0.03°
• Cell volume: 1962.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1484
• Residual factor for significantly intense reflections: 0.093
• Weighted residual factors for significantly intense reflections: 0.2284
• Weighted residual factors for all reflections included in the refinement: 0.2711
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes