Information card for entry 4327671

Structure parameters

• Formula: C88 H80 Cl F3 N4 O4 P4 Re2 S
• Calculated formula: C88 H80 Cl2 N4 O2 P4 Re2
• Title of publication: Reactions of the Dirhenium(II) Complexes Re2X4(μ-dppm)2 (X = Cl, Br; dppm = Ph2PCH2PPh2) with Isocyanides. 19.1 Studies of the Reactions of Five Structural Isomers of Re2Cl2(μ-dppm)2(CO)(CNXyl)3 That Lead to the Dirhenium(I) Complexes [Re2(μ-Cl)(μ-CO)(μ-dppm)2(CNXyl)4]O3SCF3 and [Re2Cl(μ-dppm)2(CO)(CNXyl)3(NCCH3)]O3SCF3
• Authors of publication: Yan Ding; Phillip E. Fanwick; Richard A. Walton
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 5165 - 5170
• a: 15.5808 ± 0.0011 Å
• b: 21.7521 ± 0.0018 Å
• c: 13.5611 ± 0.0011 Å
• α: 90°
• β: 113.336 ± 0.006°
• γ: 90°
• Cell volume: 4220.1 ± 0.6 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 9
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No