Information card for entry 2230755

Structure parameters

• Chemical name: Bis(μ-adamantane-1,3-dicarboxylato- κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^)bis[aqua(3- carboxyadamantane-1-carboxylato-κ<i>O</i>^1^)(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')erbium(III)] dihydrate
• Formula: C72 H82 Er2 N4 O20
• Calculated formula: C72 H82 Er2 N4 O20
• Title of publication: Bis(μ-adamantane-1,3-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^)bis[aqua(3-carboxyadamantane-1-carboxylato-κ<i>O</i>^1^)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')erbium(III)] dihydrate
• Authors of publication: Zhu, Hong-lin; Huang, Wen-xiang; Chang, Hai-sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m959
• a: 8.6164 ± 0.0017 Å
• b: 13.579 ± 0.003 Å
• c: 14.56 ± 0.003 Å
• α: 94.53 ± 0.03°
• β: 96.36 ± 0.03°
• γ: 92.22 ± 0.03°
• Cell volume: 1685.8 ± 0.6 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: 0.0376
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes