Information card for entry 4321725

Structure parameters

• Formula: C13 H21 Cl O4 P Re
• Calculated formula: C13 H21 Cl O4 P Re
• SMILES: [Re]([P](C(C)C)(C(C)C)C(C)C)(Cl)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Rhenium Complexes with Weakly Coordinating Solvent Ligands, cis-[Re(PR3)(CO)4(L)][BArF], L = CH2Cl2, Et2O, NC5F5: Decomposition to Chloride-Bridged Dimers in CH2Cl2 Solution
• Authors of publication: Jean Huhmann-Vincent; Brian L. Scott; Gregory J. Kubas
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 115 - 124
• a: 25.803 ± 0.002 Å
• b: 8.672 ± 0.001 Å
• c: 15.578 ± 0.002 Å
• α: 90°
• β: 92.254 ± 0.007°
• γ: 90°
• Cell volume: 3483.1 ± 0.7 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections: 0.1135
• Weighted residual factors for significantly intense reflections: 0.1057
• Goodness-of-fit parameter for all reflections: 0.969
• Goodness-of-fit parameter for significantly intense reflections: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No