Information card for entry 4321724

Structure parameters

• Formula: C50 H33 B F29 N O4 P Re
• Calculated formula: C50 H33 B F29 N O4 P Re
• SMILES: [Re]([P](C(C)C)(C(C)C)C(C)C)([n]1c(F)c(F)c(F)c(F)c1F)(C#[O])(C#[O])(C#[O])C#[O].[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• 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: 14.1056 ± 0.0008 Å
• b: 14.286 ± 0.0008 Å
• c: 14.7448 ± 0.0007 Å
• α: 94.555 ± 0.001°
• β: 109.249 ± 0.001°
• γ: 100.458 ± 0.001°
• Cell volume: 2727.3 ± 0.3 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections: 0.1276
• Weighted residual factors for significantly intense reflections: 0.1199
• Goodness-of-fit parameter for all reflections: 1.114
• Goodness-of-fit parameter for significantly intense reflections: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No