Information card for entry 4330776

Structure parameters

• Formula: C21 H28 N5 Ni O15 Yb
• Calculated formula: C21 H28 N5 Ni O15 Yb
• SMILES: [Yb]123456([O]7[Ni]89([O]1c1c(cccc1C=[N]9CC(C[N]8=Cc1c7c(ccc1)[O]2C)(C)C)[O]3C)([OH2])[OH2])([O]=N(=O)O4)(ON(=[O]5)=O)ON(=[O]6)=O
• Title of publication: Chiral Crystallization of a Heterodinuclear Ni-Ln Series: Comprehensive Analysis of the Magnetic Properties.
• Authors of publication: Fanica Cimpoesu; Françoise Dahan; Sonia Ladeira; Marilena Ferbinteanu; Jean-Pierre Costes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 11279 - 11293
• a: 10.0202 ± 0.0011 Å
• b: 15.9443 ± 0.0014 Å
• c: 8.8542 ± 0.001 Å
• α: 90°
• β: 90.942 ± 0.013°
• γ: 90°
• Cell volume: 1414.4 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0208
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.0485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No