Information card for entry 7040304

Structure parameters

• Formula: C14 H31 I3 P2
• Calculated formula: C14 H31 I3 P2
• SMILES: IP(C(C)(C)C)CC[P+](I)(C(C)(C)C)C(C)(C)C.[I-]
• Title of publication: Synthesis of a sterically bulky diphosphine synthon and Ru(ii) complexes of a cooperative tridentate enamide-diphosphine ligand platform.
• Authors of publication: Annibale, Vincent T.; Ostapowicz, Thomas G.; Westhues, Stefan; Wambach, Truman C.; Fryzuk, Michael D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 40
• Pages of publication: 16011 - 16025
• a: 10.281 ± 0.0011 Å
• b: 16.7172 ± 0.0019 Å
• c: 12.751 ± 0.0014 Å
• α: 90°
• β: 95.568 ± 0.002°
• γ: 90°
• Cell volume: 2181.2 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections included in the refinement: 0.0495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No