Information card for entry 7223524

Structure parameters

• Formula: C64 H72 Cl2 Dy2 N4 Ni2 O26
• Calculated formula: C64 H72 Cl2 Dy2 N4 Ni2 O26
• SMILES: C[O]1c2cccc3c2[O]2[Ni]456([N](=C3)c3ccccc3[O]4[Dy]3478(Oc9c(OC)cccc9C=[N]3c3ccccc3[O]68[Ni]368([N](=Cc9cccc(c9[O]73)[O]4C)c3ccccc3[O]6[Dy]3412([N](=Cc1cccc(OC)c1[O]3)c1ccccc1[O]584)([OH]CC)[OH]CC)[OH2])([OH]CC)[OH]CC)[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=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: 12.1724 ± 0.0012 Å
• b: 14.1352 ± 0.0015 Å
• c: 19.123 ± 0.002 Å
• α: 90°
• β: 99.425 ± 0.011°
• γ: 90°
• Cell volume: 3245.9 ± 0.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1319
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 0.872
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No