Information card for entry 7029278

Structure parameters

• Formula: C35 H43 Cl2 Dy N4 Ni3 O15
• Calculated formula: C35 H43 Cl2 Dy N4 Ni3 O15
• SMILES: [Dy]12345([O]67[Ni]89%10([n]%11ccccc%11C7)[n]7ccccc7C[O]18[Ni]1([O]79[Ni]86([n]6ccccc6C7)([n]6ccccc6C[O]218)OC(=[O]3)C)(OC(=[O]%10)C)(OC(=O)C)[OH2])([O]=C(O4)C)[O]=C(O5)C.C(Cl)Cl
• Title of publication: Magnetocaloric effect of a series of remarkably isostructural intermetallic [Ni(II)3Ln(III)] cubane aggregates.
• Authors of publication: Wang, Pei; Shannigrahi, Santiranjan; Yakovlev, Nikolai L.; Hor, T. S. Andy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 1
• Pages of publication: 182 - 187
• a: 10.6814 ± 0.0017 Å
• b: 10.7905 ± 0.0017 Å
• c: 18.848 ± 0.003 Å
• α: 87.685 ± 0.003°
• β: 75.725 ± 0.003°
• γ: 88.381 ± 0.003°
• Cell volume: 2103.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No