Information card for entry 4321004

Structure parameters

• Formula: C67 H71 Cl4 N3 P4 Re2
• Calculated formula: C67 H71 Cl4 N3 P4 Re2
• SMILES: [Re]12([Re](Cl)(Cl)([P](C([P]1(c1ccccc1)c1ccccc1)=C)(c1ccccc1)c1ccccc1)([P](C([P]2(c1ccccc1)c1ccccc1)=C)(c1ccccc1)c1ccccc1)C#[N]C(C)(C)C)(Cl)(C#[N]C(C)(C)C)C#[N]C(C)(C)C.[Cl-]
• 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: 12.679 ± 0.003 Å
• b: 14.422 ± 0.003 Å
• c: 19.997 ± 0.004 Å
• α: 97.13 ± 0.03°
• β: 108.39 ± 0.03°
• γ: 90.07 ± 0.03°
• Cell volume: 3439.8 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0746
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections: 0.107
• Weighted residual factors for significantly intense reflections: 0.09
• Goodness-of-fit parameter for all reflections: 1.026
• Goodness-of-fit parameter for significantly intense reflections: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No