Information card for entry 4321003

Structure parameters

• Formula: C68 H76 Cl10 N2 P4 Re4
• Calculated formula: C68 H76 Cl10 N2 P4 Re2
• SMILES: [Re]12([Re](Cl)(Cl)([P](C(=C)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](C(=C)[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#[N]C(C)(C)C)(Cl)(Cl)C#[N]C(C)(C)C.ClCCCl.ClCCCl.ClCCCl
• Title of publication: Reactions of the Dirhenium(II) Complexes Re2X4(μ-dppm)2 (X = Cl, Br; dppm = Ph2PCH2PPh2) with Isocyanides. 21.1A Comparison with the Complexes Re2Cl4(μ-dppE)2 and Re2Cl4(μ-dcpm)2 (dppE = Ph2PC(CH2)PPh2; dcpm = Cy2PCH2PCy2) and the Structural Characterization of Complexes of the Types Re2Cl4(μ-LL)2(CNR), Re2Cl4(μ-LL)2(CNR)2, and [Re2Cl3(μ-LL)2(CNR)3]+ (LL = dppm, dppE, dcpm; R =t-Bu, Xyl)
• Authors of publication: Yan Ding; Shan-Ming Kuang; Michael J. Siwajek; Phillip E. Fanwick; Richard A. Walton
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2676 - 2683
• a: 14.4494 ± 0.0002 Å
• b: 34.0915 ± 0.0005 Å
• c: 15.5458 ± 0.0002 Å
• α: 90°
• β: 92.3135 ± 0.0007°
• γ: 90°
• Cell volume: 7651.65 ± 0.18 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 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 significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No