Information card for entry 4066135

Structure parameters

• Formula: C32 H34 K N O
• Calculated formula: C32 H34 K N O
• SMILES: [K][O]1CCCC1.n1(c2ccc(Cc3c([c-](c(c3C)C)C)C)cc2c2c1cccc2)c1ccccc1
• Title of publication: Photofunctionalization of a Pentamethylcyclopentadienyl Ligand with theN-Phenylcarbazolyl Group To Prepare a Highly Luminescent Tb3+Complex Having a Fast Radiation Rate
• Authors of publication: Yatabe, Takeshi; Nakai, Hidetaka; Nozaki, Koichi; Yamamura, Tomoo; Isobe, Kiyoshi
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 11
• Pages of publication: 2390
• a: 9.1871 ± 0.0014 Å
• b: 28.378 ± 0.004 Å
• c: 10.3886 ± 0.0017 Å
• α: 90°
• β: 100.365 ± 0.004°
• γ: 90°
• Cell volume: 2664.2 ± 0.7 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.2347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No