Information card for entry 2237136

Structure parameters

• Chemical name: Bis(ethanamidinium) (1,10-phenanthroline-2,9-dicarboxylato)manganate(II) heptahydrate
• Formula: C32 H40 Mn N8 O15
• Calculated formula: C32 H40 Mn N8 O15
• SMILES: [Mn]123456(OC(=O)c7[n]3c3c(cc7)ccc7c3[n]4c(cc7)C(=O)O1)OC(=O)c1[n]5c3c(cc1)ccc1c3[n]6c(cc1)C(=O)O2.[NH2+]=C(N)C.[NH2+]=C(N)C.O.O.O.O.O.O.O
• Title of publication: Bis(ethanamidinium) (1,10-phenanthroline-2,9-dicarboxylato)manganate(II) heptahydrate
• Authors of publication: Miao, Yan-Li; Wang, Hong-Bo; Song, Wen-Dong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: m10 - m11
• a: 9.633 ± 0.0006 Å
• b: 13.8174 ± 0.0007 Å
• c: 15.4828 ± 0.0008 Å
• α: 66.151 ± 0.005°
• β: 78.949 ± 0.005°
• γ: 75.397 ± 0.005°
• Cell volume: 1814.56 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0444
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes