Information card for entry 1520082

Structure parameters

• Formula: C61.5 H86 Co2 Dy2 N8 O24
• Calculated formula: C61.5 H86 Co2 Dy2 N8 O24
• SMILES: [Dy]1234567([O]=C8N(N(C(=C8[N]8[Co]9%10%11([O]%12[Dy]%13%14%15%16([O](C)c%17cccc(c%12%17)C=8)([O]=C([O]%13[Co]8([O]19C)([O]3c1c([O]2C)cccc1C=[N]8C1=C(N(N(c2ccccc2)C1=[O]%14)C)C)(OC(=[O]4)C(C)(C)C)[O]%11%15C)C(C)(C)C)([O]=C(O%10)C(C)(C)C)ON(=[O]%16)=O)[O]6C(=[O]5)C(C)(C)C)C)C)c1ccccc1)[O]=N(=O)O7.OC.OC
• Title of publication: A new family of high nuclearity Co(II)/Dy(III) coordination clusters possessing robust and unseen topologies.
• Authors of publication: Berkoff, Benjamin; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham J.; Coles, Simon J.; Escuer, Albert; Kostakis, George E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 28
• Pages of publication: 12788 - 12795
• a: 14.068 ± 0.0002 Å
• b: 21.394 ± 0.0003 Å
• c: 26.2804 ± 0.0004 Å
• α: 67.4228 ± 0.0015°
• β: 86.9557 ± 0.0013°
• γ: 89.2403 ± 0.0012°
• Cell volume: 7292.9 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1027
• Residual factor for significantly intense reflections: 0.0838
• Weighted residual factors for significantly intense reflections: 0.1858
• Weighted residual factors for all reflections included in the refinement: 0.1945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No