Information card for entry 7242291

Structure parameters

• Formula: C29 H35 F6 N5 O2 P Re
• Calculated formula: C29 H35 F6 N5 O2 P Re
• SMILES: [Re]1([n]2ccc(cc2c2[n]1ccc(c2)C(C)(C)C)C(C)(C)C)([n]1cn(cc1)C)([n]1ccccc1)(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: 32.1948 ± 0.001 Å
• b: 12.3447 ± 0.0003 Å
• c: 28.1669 ± 0.0009 Å
• α: 90°
• β: 144.094 ± 0.001°
• γ: 90°
• Cell volume: 6565.1 ± 0.4 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No