Information card for entry 7242286

Structure parameters

• Formula: C28 H36 F6 N6 O2 P Re
• Calculated formula: C28 H36 F6 N6 O2 P Re
• SMILES: [Re]1([n]2ccc(cc2c2[n]1ccc(c2)C(C)(C)C)C(C)(C)C)([n]1ccn(c1)C)([n]1ccn(c1)C)(C#[O])C#[O].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Aerobically stable and substitutionally labile α-diimine rhenium dicarbonyl complexes
• Authors of publication: Schindler, Kevin; Crochet, Aurélien; Zobi, Fabio
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 13
• Pages of publication: 7511 - 7520
• a: 12.3996 ± 0.0003 Å
• b: 13.8863 ± 0.0003 Å
• c: 19.1424 ± 0.0005 Å
• α: 90°
• β: 100.747 ± 0.002°
• γ: 90°
• Cell volume: 3238.21 ± 0.14 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 7
• 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: 0.0359
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No