Information card for entry 2223889

Structure parameters

• Chemical name: {μ-6,6'-Dimethoxy-2,2'-[propane-1,3-diylbis(nitrilomethylidyne)] diphenolato}-trinitratocopper(II)erbium(III) acetone solvate
• Formula: C22 H26 Cu Er N5 O14
• Calculated formula: C22 H26 Cu Er N5 O14
• SMILES: [Er]123456([O](C)c7c8[O]1[Cu]19[O]2c2c([O]3C)cccc2C=[N]9CCC[N]1=Cc8ccc7)([O]=N(O4)=O)(ON(=[O]5)=O)ON(=[O]6)=O.O=C(C)C
• Title of publication: {μ-6,6'-Dimethoxy-2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato}trinitratocopper(II)erbium(III) acetone solvate
• Authors of publication: Xing, Jing-Chun; Bo, Yu-Long; Zhang, Bing; Li, Wen-Zhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1299
• a: 9.4142 ± 0.0019 Å
• b: 12.151 ± 0.002 Å
• c: 13.439 ± 0.003 Å
• α: 73.06 ± 0.03°
• β: 87.3 ± 0.03°
• γ: 72.22 ± 0.03°
• Cell volume: 1398.9 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes