Information card for entry 7036810

Structure parameters

• Formula: C74 H103 Cl N8 O34.5 Tb5
• Calculated formula: C74 H103 Cl N8 O34.5 Tb5
• SMILES: CC1N[N]2=Cc3cc(C)cc4c3[O]3[Tb]56782([O]29Cc%10cc(cc%11c%10[O]%10[Tb]%12%13%14%1539[O]39Cc%16c%17[O]%15[Tb]%15%18%192([N](=Cc%17cc(c%16)C)NC(=[O]%15)C)(C(C(C)(C)C)(=[O]%18)O%19)([O]5%12Cc2cc(cc5C=[N]%12NC(C)=[O][Tb]%15%169%12([O]9[Tb]%12%103([N](N=C(O%12)C)=C%11)(OC(=O)C(C)(C)C)([OH2])([O]=C9C(C)(C)C)[O]%13%15C4)([O]=C(C(C)(C)C)O%16)[O]%14c25)C)[O]7C(C(C)(C)C)=[O]6)C)([O]=1)[O]=C(C(C)(C)C)O8.[Cl-].O.O.O.O.O.O.O.O.O.O
• Title of publication: Pentanuclear [2.2] spirocyclic lanthanide(iii) complexes: slow magnetic relaxation of the Dy(III) analogue.
• Authors of publication: Biswas, Sourav; Das, Sourav; van Leusen, Jan; Kögerler, Paul; Chandrasekhar, Vadapalli
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 44
• Pages of publication: 19282 - 19293
• a: 40.479 ± 0.005 Å
• b: 40.479 ± 0.005 Å
• c: 11.943 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19569 ± 9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No