Information card for entry 4060434

Structure parameters

• Formula: C94 H69 B F24 P2 Ru
• Calculated formula: C94 H69 B F24 P2 Ru
• SMILES: [Ru]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)([P](c6ccccc6)(c6ccccc6)CC6CC(C=56)=C5c6c(cccc6)c6c5cccc6)[cH]5[cH]1[cH]2[c]13[c]45cccc1.c1(cc(cc(c1)C(F)(F)F)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.CCCCC
• Title of publication: Intramolecular [2+2] Cycloaddition of Allyl C=C and Allenylidene Cα=Cβ Bond: Formation and Deprotonation of Cyclobutylidene Rings
• Authors of publication: J. Díez; M. P. Gamasa; J. Gimeno; E. Lastra; A. Villar
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 13.2888 ± 0.0001 Å
• b: 24.3673 ± 0.0002 Å
• c: 25.4806 ± 0.0002 Å
• α: 90°
• β: 99.063 ± 0.001°
• γ: 90°
• Cell volume: 8147.92 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No