Information card for entry 4321919

Structure parameters

• Formula: C89.75 Cl5.25 F5.25 N3 O6.25 P4 Re2 S1.75
• Calculated formula: C91 H83 Cl7 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: 22.642 ± 0.005 Å
• b: 13.96 ± 0.005 Å
• c: 32.725 ± 0.015 Å
• α: 90°
• β: 109.65 ± 0.03°
• γ: 90°
• Cell volume: 9741 ± 6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections: 0.151
• Weighted residual factors for significantly intense reflections: 0.128
• Goodness-of-fit parameter for all reflections: 1.143
• Goodness-of-fit parameter for significantly intense reflections: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No