Information card for entry 4321918

Structure parameters

• Formula: C80.86 Cl3.72 F6 N3 O7 P4 Re2 S2
• Calculated formula: C81 H73 Cl4 F6 N3 O7 P4 Re2 S2
• Title of publication: Reactions of the Dirhenium(II) Complexes Re2X4(μ-dppm)2 (X = Cl, Br; dppm = Ph2PCH2PPh2) with Isocyanides. 18.1 The Isolation and Characterization of Isomers of the [Re2Cl2(μ-dppm)2(CO)(CNXyl)3]2+ Cation and Its Monocationic and Neutral Congeners
• Authors of publication: Yan Ding; Wengan Wu; Phillip E. Fanwick; Richard A. Walton
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 1918 - 1928
• a: 23.582 ± 0.005 Å
• b: 16.344 ± 0.006 Å
• c: 23.656 ± 0.006 Å
• α: 90°
• β: 109.091 ± 0.018°
• γ: 90°
• Cell volume: 8616 ± 4 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 8
• 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: 0.098
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections: 0.215
• Weighted residual factors for significantly intense reflections: 0.177
• Goodness-of-fit parameter for all reflections: 1.111
• Goodness-of-fit parameter for significantly intense reflections: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No