Information card for entry 4315173

Structure parameters

• Formula: C98 H118 Br2 N4 O4 Sm2
• Calculated formula: C98 H118 Br2 N4 O4 Sm2
• SMILES: C12C(c3c4c1cccc4ccc3)=[N]([Sm]13([N]=2c2c(cccc2C(C)C)C(C)C)([Br][Sm]24([N](=C5C(c6c7c5cccc7ccc6)=[N]2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)([O](C)CC[O]4C)[Br]3)[O](C)CC[O]1C)c1c(cccc1C(C)C)C(C)C.c1ccccc1.c1ccccc1.c1ccccc1
• 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: 11.854 ± 0.005 Å
• b: 14.296 ± 0.005 Å
• c: 14.505 ± 0.005 Å
• α: 64.94 ± 0.005°
• β: 83.343 ± 0.005°
• γ: 86.159 ± 0.005°
• Cell volume: 2211.2 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No