Information card for entry 7223511

Structure parameters

• Formula: C88 H76 Co2 Dy2 N14 O34
• Calculated formula: C88 H76 Co2 Dy2 N14 O34
• SMILES: c1(cc2c([N]3=Cc4cc(cc(c4O[Dy]45673([O]32[Co]289([O]=C(c%10cc(N(=O)=O)cc(c%10)N(=O)=O)O4)[O](c4c(ccc(N(=O)=O)c4)[N]2=Cc2c(c(cc(CC=C)c2)[O]6C)[O]79)[Dy]24679([N](c%10c(cc(cc%10)N(=O)=O)[O]86[Co]683([O]=C(c3cc(N(=O)=O)cc(c3)N(=O)=O)O9)[O]5c3c(ccc(N(=O)=O)c3)[N]6=Cc3c(c(cc(CC=C)c3)[O]4C)[O]78)=Cc3cc(CC=C)cc(c3O2)OC)[O]=CN(C)C)[O]=CN(C)C)OC)CC=C)cc1)N(=O)=O
• Title of publication: Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects
• Authors of publication: Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 5
• Pages of publication: 704
• a: 13.149 ± 0.0009 Å
• b: 13.62 ± 0.001 Å
• c: 15.4701 ± 0.0011 Å
• α: 68.869 ± 0.005°
• β: 65.65 ± 0.004°
• γ: 63.614 ± 0.004°
• Cell volume: 2207.1 ± 0.3 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: 0.0859
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1889
• Weighted residual factors for all reflections included in the refinement: 0.1971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No