Information card for entry 1517329

Structure parameters

• Common name: 3c
• Chemical name: iodo(pentacarbonyl)rhenium(I)
• Formula: C5 I O5 Re
• Calculated formula: C5 I O5 Re
• SMILES: [Re](I)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Multi-step and multi-component organometallic synthesis in one pot using orthogonal mechanochemical reactions
• Authors of publication: Hernández, José G.; Butler, Ian S.; Friščić, Tomislav
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 9
• Pages of publication: 3576
• a: 7.6549 ± 0.0007 Å
• b: 11.1028 ± 0.0011 Å
• c: 10.9893 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 933.99 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0167
• Residual factor for significantly intense reflections: 0.0165
• Weighted residual factors for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections included in the refinement: 0.039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 1516666
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No