Information card for entry 4319555

Structure parameters

• Formula: C12 H19 Ag B9 N4 O3 Re
• Calculated formula: C12 H19 Ag B9 N4 O3 Re
• SMILES: [Re]12345([CH]678[CH]9%101[BH]1%112[B]2%123([H][Ag]35[n]5n(ccc5)Cn5[n]3ccc5)[BH]346[BH]45%12[BH]6%112[BH]2%101[BH]179[BH]834[BH]5621)(C#[O])(C#[O])C#[O]
• Title of publication: Silver as an Exopolyhedral Auxiliary to the Rhenacarborane Anion [Re(CO)3(η5-7,8-C2B9H11)]-
• Authors of publication: Dianne D. Ellis; John C. Jeffery; Paul A. Jelliss; Jason A. Kautz; F. Gordon A. Stone
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2041 - 2050
• a: 7.0107 ± 0.0006 Å
• b: 12.431 ± 0.003 Å
• c: 12.5833 ± 0.0019 Å
• α: 83.311 ± 0.014°
• β: 77.73 ± 0.016°
• γ: 83.604 ± 0.017°
• Cell volume: 1060 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No