Information card for entry 4312053

Structure parameters

• Formula: C36 H44 N10 O6 Re2
• Calculated formula: C36 H44 N10 O6 Re2
• SMILES: C1(c2ccccc2)=[N](C)[Re]234([N](C)=C(c5ccccc5)N(C)[Re]4(N1C)([N](=C(N2C)c1ccccc1)C)([N](=C(N3C)c1ccccc1)C)ON(=O)=O)ON(=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: 12.339 ± 0.0009 Å
• b: 21.0758 ± 0.0015 Å
• c: 15.4168 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4009.2 ± 0.5 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No