Information card for entry 4088900

Structure parameters

• Formula: C16 H26 F2 O2 P Rh
• Calculated formula: C16 H26 F2 O2 P Rh
• SMILES: [Rh]1234567([c]8([c]5([c]4([c]3([c]2([c]18C)C)C)C)C)C)([CH2]=[CH2]6)[CH2]=[CH2]7.P(=O)([O-])(F)F
• Title of publication: Cyclobutadiene Arene Complexes of Rhodium and Iridium
• Authors of publication: Shvydkiy, Nikita V.; Trifonova, Evgeniya A.; Shved, Andrei M.; Nelyubina, Yulia V.; Chusov, Denis; Perekalin, Dmitry S.; Kudinov, Alexander R.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 17
• Pages of publication: 3025
• a: 8.354 ± 0.0013 Å
• b: 9.2101 ± 0.0015 Å
• c: 21.622 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1663.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No