Information card for entry 1520083

Structure parameters

• Formula: C54 H74 Co Dy3 N9 O25
• Calculated formula: C54 H74 Co Dy3 N9 O25
• SMILES: [Dy]123456([O]7([Dy]89%10([O](C)c%11cccc%12c%11[O]8[Co]8%11%137[O]7[Dy]%14([O]=C%15N(N(C(=C%15[N]%11=C%12)C)C)c%11ccccc%11)([O]1C)([O]=C(O2)C(C)(C)C)([O]=N(=O)O%14)([O](C)c1cccc(c71)C=[N]%13C1=C(N(N(C1=[O]9)c1ccccc1)C)C)[O]38C)([O]4C)([O]=C(O5)C(C)(C)C)[O]=N(=O)O%10)C)[O]=N(O6)=O.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: 17.0866 ± 0.0007 Å
• b: 19.9394 ± 0.0007 Å
• c: 20.2635 ± 0.0009 Å
• α: 90°
• β: 109.693 ± 0.005°
• γ: 90°
• Cell volume: 6499.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No