Information card for entry 2211711

Structure parameters

• Common name: Bis(μ-cantharidinato)bis[(1,10-phenanthroline)manganese(II)] hexahydrate
• Chemical name: bis(μ-2,3-dimethyl-7-oxobicyclo[2.2.1]heptane-2,3- dicarboxylato)bis[(1,10-phenanthroline)manganese(II)] hexahydrate
• Formula: C44 H52 Mn2 N4 O16
• Calculated formula: C44 H52 Mn2 N4 O16
• SMILES: c1ccc2c3[n]1[Mn]14([n]5cccc(c35)cc2)OC(=O)[C@]2([C@H]3O[C@H](CC3)[C@]2(C(=[O]1)O[Mn]12([n]3cccc5ccc6ccc[n]1c6c35)OC(=O)[C@@]1([C@@H]3O[C@@H](CC3)[C@@]1(C(=[O]2)O4)C)C)C)C.O.O.O.O.O.O
• Title of publication: Bis(μ-cantharidinato)bis[(1,10-phenanthroline)manganese(II)] hexahydrate
• Authors of publication: Guo-Ding Sheng; Liang Shen; Yin-Zhi Jin; Juan Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m241 - m243
• a: 17.806 ± 0.005 Å
• b: 20.6 ± 0.005 Å
• c: 11.982 ± 0.003 Å
• α: 90°
• β: 90.812 ± 0.011°
• γ: 90°
• Cell volume: 4395 ± 2 ų
• Cell temperature: 298 ± 1 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 significantly intense reflections: 0.0297
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes