Information card for entry 7006504

Structure parameters

• Formula: C76 H126 Er2 O14
• Calculated formula: C76 H126 Er2 O14
• SMILES: [Er]1(Oc2c(cc(cc2C(C)(C)C)OC)C(C)(C)C)([OH][Er]([OH]1)(Oc1c(cc(cc1C(C)(C)C)OC)C(C)(C)C)(Oc1c(cc(cc1C(C)(C)C)OC)C(C)(C)C)[O]1CCCC1)(Oc1c(cc(cc1C(C)(C)C)OC)C(C)(C)C)[O]1CCCC1.C1CCCO1.C1CCCO1
• Title of publication: Manipulation of reaction pathways in redox transmetallation-ligand exchange syntheses of lanthanoid(II)/(III) aryloxide complexes.
• Authors of publication: Deacon, Glen B.; Fallon, Gary D.; Forsyth, Craig M.; Harris, Stuart C.; Junk, Peter C.; Skelton, Brian W.; White, Allan H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 6
• Pages of publication: 802 - 812
• a: 9.894 ± 0.002 Å
• b: 25.581 ± 0.008 Å
• c: 15.606 ± 0.008 Å
• α: 90°
• β: 91.63 ± 0.03°
• γ: 90°
• Cell volume: 3948 ± 3 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections: 1.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No