Information card for entry 7018205

Structure parameters

• Formula: C14 H10 N2 O9 Re2
• Calculated formula: C14 H10 N2 O9 Re2
• SMILES: [Re]([Re](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])(C#[O])=C1NCCN1CC
• Title of publication: Synthesis of N-heterocyclic carbene rhenium(i) carbonyl complexes.
• Authors of publication: Chen, Chang-Hung; Liu, Yi-Hung; Peng, Shie-Ming; Chen, Jwu-Ting; Liu, Shiuh-Tzung
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 9
• Pages of publication: 2747 - 2754
• a: 9.0464 ± 0.0002 Å
• b: 9.3184 ± 0.0002 Å
• c: 12.2154 ± 0.0003 Å
• α: 111.511 ± 0.002°
• β: 91.287 ± 0.002°
• γ: 96.573 ± 0.002°
• Cell volume: 949.4 ± 0.04 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.0168
• Weighted residual factors for significantly intense reflections: 0.0394
• Weighted residual factors for all reflections included in the refinement: 0.0407
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No