Information card for entry 4313102

Structure parameters

• Formula: C52 H50 Cl6 P4 Re2
• Calculated formula: C57 H54 Cl10 P4 Re2
• SMILES: [Re]12345([Cl][Re]6(Cl)(Cl)([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[CH]5=[CH]36)(Cl)[CH]#[CH]4.ClCCl.ClCCl.ClCCl
• Title of publication: Complexation of the Triply-Bonded Dirhenium(II) Complex Re2Cl4(μ-dppm)2 (dppm = Ph2PCH2PPh2) by Up to Three Acetylene Molecules
• Authors of publication: Mani Ganesan; Keng-Yu Shih; Phillip E. Fanwick; Richard A. Walton
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1241 - 1247
• a: 15.1686 ± 0.0002 Å
• b: 14.7343 ± 0.0002 Å
• c: 26.6033 ± 0.0003 Å
• α: 90°
• β: 91.8566 ± 0.0007°
• γ: 90°
• Cell volume: 5942.68 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No