Information card for entry 4312051

Structure parameters

• Formula: C36 H44 Cl2 N8 Re2
• Calculated formula: C36 H44 Cl2 N8 Re2
• SMILES: CN1C(c2ccccc2)=[N](C)[Re]234([Re]1([N](C)=C(c1ccccc1)N2C)(Cl)(N(C)C(c1ccccc1)=[N]3C)[N](C)=C(N4C)c1ccccc1)Cl
• 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: 9.581 ± 0.0009 Å
• b: 10.2213 ± 0.0009 Å
• c: 11.6178 ± 0.0011 Å
• α: 104.589 ± 0.002°
• β: 113.628 ± 0.002°
• γ: 102.727 ± 0.002°
• Cell volume: 940.2 ± 0.15 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1596
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No