Information card for entry 4315174

Structure parameters

• Formula: C43.5 H54 Br2 N2 O2 Sm
• Calculated formula: C40 H50 Br2 N2 O2 Sm
• SMILES: C12C(c3c4c1cccc4ccc3)=[N](c1c(cccc1C(C)C)C(C)C)[Sm]1([O](C)CC[O]1C)([N]=2c1c(cccc1C(C)C)C(C)C)(Br)Br
• Title of publication: One- and Two-Electron-Transfer Reactions of (dpp-Bian)Sm(dme)3
• Authors of publication: Igor L. Fedushkin; Olga V. Maslova; Markus Hummert; Herbert Schumann
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2901 - 2910
• a: 19.992 ± 0.0011 Å
• b: 14.164 ± 0.0007 Å
• c: 15.426 ± 0.001 Å
• α: 90°
• β: 106.641 ± 0.006°
• γ: 90°
• Cell volume: 4185.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.159
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 0.853
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No