Information card for entry 4313104

Structure parameters

• Formula: C52 H52 Cl3 F6 O P5 Re2
• Calculated formula: C56 H50 Cl3 F6 O P5 Re2
• SMILES: [CH]1#[CH][Re]234561([P](C[P]([Re]176([CH]2#[CH]31)([Cl]4)([CH]#[CH]7)([P](C[P]5(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)Cl)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)Cl.[P](F)(F)(F)(F)(F)[F-].O
• 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: 12.9178 ± 0.0003 Å
• b: 14.7997 ± 0.0004 Å
• c: 14.9895 ± 0.0005 Å
• α: 90°
• β: 93.071 ± 0.001°
• γ: 90°
• Cell volume: 2861.57 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No