Information card for entry 7106758

Structure parameters

• Common name: NdFeDMA Excited state
• Chemical name: NdFeDMA Excited state
• Formula: C22 H50 Fe N10 Nd O11
• Calculated formula: C22 H41.4474 Fe N10 Nd O11
• Title of publication: A photo-induced excited state structure of a hetero-bimetallic ionic pair complex, Nd(DMA)4(H2O)4Fe(CN)6·3H2O, analyzed by single crystal X-ray diffraction
• Authors of publication: Helle; Svendsen,; Jacob; Overgaard,; Yu-Sheng; Chen; Bo; B.; Iversen
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 9486
• a: 14.1884 ± 0.0009 Å
• b: 14.0217 ± 0.0009 Å
• c: 17.8732 ± 0.001 Å
• α: 90°
• β: 91.4405 ± 0.0015°
• γ: 90°
• Cell volume: 3554.7 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1271
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.536
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No