Information card for entry 4312052

Structure parameters

• Formula: C44 H68 Cl2 N8 O4 Re2
• Calculated formula: C44 H60 Cl2 N8 O4 Re2
• SMILES: C1(c2ccccc2)=[N](CC)[Re]234(Cl)[N](=C(c5ccccc5)N(CC)[Re]4([N](=C(c4ccccc4)N2CC)CC)([N](=C(c2ccccc2)N3CC)CC)(N1CC)Cl)CC.O.O.O.O
• Title of publication: Dirhenium Paddlewheel Compounds Supported by N,N'-Dialkylbenzamidinates: Synthesis, Structures, and Photophysical Properties
• Authors of publication: Michael Q. Dequeant; Patricia M. Bradley; Guo-Lin Xu; Daniel A. Lutterman; Claudia Turro; Tong Ren
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7887 - 7892
• a: 14.4466 ± 0.0008 Å
• b: 14.4466 ± 0.0008 Å
• c: 12.0711 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2519.3 ± 0.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• Space group number: 97
• Hermann-Mauguin space group symbol: I 4 2 2
• Hall space group symbol: I 4 2
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No