Information card for entry 4326685

Structure parameters

• Chemical name: NdFeDMF Ground State (APS)
• Formula: C18 H36 Fe N10 Nd O8
• Calculated formula: C18 H36 Fe N10 Nd O8
• SMILES: [Nd]([N]#C[Fe](C#N)(C#N)(C#N)(C#N)C#N)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([OH2])([OH2])[OH2].O
• Title of publication: Analysis of the Photomagnetic Properties of Cyano-Bridged Heterobimetallic Complexes by X-Ray Diffraction
• Authors of publication: Helle Svendsen; Mads Ry Vogel Jørgensen; Jacob Overgaard; Yu-Sheng Chen; Guillaume Chastanet; Jean-François Létard; Kenichi Kato; Masaki Takata; Bo B. Iversen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10974 - 10984
• a: 17.5855 ± 0.0004 Å
• b: 8.816 ± 0.0002 Å
• c: 19.4029 ± 0.0005 Å
• α: 90°
• β: 96.2406 ± 0.0015°
• γ: 90°
• Cell volume: 2990.28 ± 0.12 ų
• Cell temperature: 15 ± 2 K
• Ambient diffraction temperature: 15 ± 2 K
• Number of distinct elements: 6
• 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: 0.0769
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.331
• Diffraction radiation wavelength: 0.41328 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No