Information card for entry 2216708

Structure parameters

• Chemical name: Tris(1,10-phenanthrolinium) tris(pyridine-2,6-dicarboxylato)yttriumate dimethyl sulfoxide pentahydrate
• Formula: C59 H52 N9 O18 S Y
• Calculated formula: C59 H52 N9 O18 S Y
• SMILES: [Y]123456(OC(=O)c7cccc(C(=O)O1)[n]47)(OC(=O)c1cccc(C(=O)O2)[n]51)OC(=O)c1cccc(C(=O)O3)[n]61.S(C)(C)=O.c1ccc2ccc3cccnc3c2[nH+]1.c1ccc2ccc3cccnc3c2[nH+]1.c1ccc2ccc3ccc[nH+]c3c2n1.O.O.O.O.O
• Title of publication: Tris(1,10-phenanthrolinium) tris(pyridine-2,6-dicarboxylato)yttriate(III) dimethyl sulfoxide solvate pentahydrate
• Authors of publication: Soleimannejad, Janet; Aghabozorg, Hossein; Nakhjavan, Bahar; Attar Gharamaleki, Jafar; Ramezanipour, Farshid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3170 - m3171
• a: 10.4185 ± 0.0014 Å
• b: 10.9689 ± 0.0014 Å
• c: 14.3844 ± 0.0019 Å
• α: 70.599 ± 0.002°
• β: 81.174 ± 0.002°
• γ: 63.298 ± 0.002°
• Cell volume: 1385.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes