Information card for entry 4346758

Structure parameters

• Formula: C41 H29 Cl4 F6 N5 O3 P Re
• Calculated formula: C41 H29 Cl4 F6 N5 O3 P Re
• SMILES: [Re]12([N](=C(C(C(=[N]1c1c(Cl)cccc1Cl)C)C(=[NH]2)c1ccccc1)C)c1c(Cl)cccc1Cl)(C#[O])(C#[O])C#[O].N#Cc1ccccc1.N#Cc1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Intramolecular C-C Bond Coupling of Nitriles to a Diimine Ligand in Group 7 Metal Tricarbonyl Complexes.
• Authors of publication: Yempally, Veeranna; Fan, Wai Yip; Arndtsen, Bruce A.; Bengali, Ashfaq A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 23
• Pages of publication: 11441 - 11449
• a: 9.8197 ± 0.0005 Å
• b: 12.4059 ± 0.0007 Å
• c: 18.3486 ± 0.001 Å
• α: 95.645 ± 0.002°
• β: 94.925 ± 0.002°
• γ: 108.649 ± 0.002°
• Cell volume: 2091.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0228
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.0436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No