Information card for entry 7018383

Structure parameters

• Common name: [Dy8(OH)6(OMe)6(cmnm)10(ccnm)2(H2O)2(MeOH)2].2H2O.6MeOH
• Chemical name: [Bis(aqua)bis(carbamoylcyanonitrosomethanido)decakis(cyano(imino (methoxy)methyl)nitrosomethanido)bis(methanol)bis(methoxy)bis (hydroxy)octadysprosium(III)].Hexamethanol.Dihydrate
• Formula: C60 H108 Dy8 N36 O48
• Calculated formula: C60 H90 Dy8 N36 O48
• SMILES: C1(C#N)=[N]2O[Dy]345678[N](=C(C#N)C(=[NH]3)OC)O[Dy]39%10%11%12%13([OH2])[N](=C(C#N)C(=[NH]3)OC)O[Dy]3%14%152([N]=C1OC)(ON=C(C#N)C(=O)N)([O]6%10C)[N](=C(C#N)C(=[NH]3)OC)O[Dy]1([O]7%15)([O]8%11)([O]%12%14)(O[N]9=C(C(=[N]%13)OC)C#N)([OH]C)[O](C)[Dy]23678([O]1C)[N](=C(C#N)C(=[NH]3)OC)O[Dy]139%10%11%12([OH2])[N](=C(C#N)C(=[NH]3)OC)O[Dy]3%13%14%15([O]18C)([N](=C(C#N)C(=[NH]3)OC)O2)(ON=C(C#N)C(=O)N)[O]6[Dy]([O]4C)(O[N]%15=C(C#N)C(=[NH]%13)OC)(O[N]%11=C(C#N)C(=[N]%12)OC)([O]79)([O]%10%14)([OH]C)[O]5C.CO.CO.CO.O.CO.CO.CO.O
• Title of publication: In situ ligand formation in the synthesis of an octanuclear dysprosium 'double cubane' cluster displaying single molecule magnet features.
• Authors of publication: Chesman, Anthony S. R.; Turner, David R.; Moubaraki, Boujemaa; Murray, Keith S.; Deacon, Glen B.; Batten, Stuart R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 13
• Pages of publication: 3751 - 3757
• a: 29.3161 ± 0.0003 Å
• b: 30.8263 ± 0.0004 Å
• c: 14.8707 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13438.8 ± 0.3 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No