Information card for entry 4115551

Structure parameters

• Formula: C59 H26 F20 N4 O2 Os
• Calculated formula: C59 H21 F20 N4 O2 Os
• SMILES: [Os]123([n]4c5C(=c6n3c(=C(c3[n]2c(=C(c2n1c(C(=c4cc5)c1c(F)c(F)c(F)c(F)c1F)cc2)c1c(F)c(F)c(F)c(F)c1F)cc3)c1c(F)c(F)c(F)c(F)c1F)cc6)c1c(F)c(F)c(F)c(F)c1F)(=C(c1ccccc1)c1ccccc1)[OH]C.OC
• Title of publication: Isolation and X-ray Crystal Structure of an Unusual Biscarbene Metal Complex and Its Reactivity toward Cyclopropanation and Allylic C-H Insertion of Unfunctionalized Alkenes
• Authors of publication: Yan Li; Jie-Sheng Huang; Zhong-Yuan Zhou; Chi-Ming Che
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 4843 - 4844
• a: 13.3136 ± 0.0017 Å
• b: 25.346 ± 0.003 Å
• c: 15.93 ± 0.002 Å
• α: 90°
• β: 105.392 ± 0.002°
• γ: 90°
• Cell volume: 5182.7 ± 1.1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 0.734
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No