Information card for entry 4086809

Structure parameters

• Formula: C30 H18 F10 O4 P Re
• Calculated formula: C30 H18 F10 O4 P Re
• SMILES: [Re]12345([cH]6[cH]1[cH]2[cH]3[cH]46)([CH](P(=O)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)=[CH]5c1ccccc1)(C#[O])C#[O].O=C(C)C
• Title of publication: Reactions of Manganese and Rhenium Vinylidene Complexes with Hydrophosphoryl Compounds
• Authors of publication: Utegenov, Kamil I.; Krivykh, Vasilii V.; Mazhuga, Andrei M.; Chudin, Oleg S.; Smol'yakov, Aleksander F.; Dolgushin, Fedor M.; Goryunov, Evgenii I.; Ustynyuk, Nikolai A.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 23
• Pages of publication: 3903 - 3913
• a: 10.6325 ± 0.0006 Å
• b: 12.3889 ± 0.0007 Å
• c: 12.828 ± 0.0008 Å
• α: 61.4248 ± 0.0008°
• β: 73.9864 ± 0.0009°
• γ: 77.9876 ± 0.0009°
• Cell volume: 1420.54 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0147
• Residual factor for significantly intense reflections: 0.0138
• Weighted residual factors for significantly intense reflections: 0.0325
• Weighted residual factors for all reflections included in the refinement: 0.0328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No