Information card for entry 1508143

Structure parameters

• Common name: 150-a
• Chemical name: katz01
• Formula: C66 H85 Au Cl O4 P
• Calculated formula: C66 H85 Au Cl O4 P
• SMILES: c1(ccccc1)[P](c1ccccc1)(COc1c2cc(cc1Cc1c(c(Cc3c(c(Cc4c(c(C2)cc(c4)C(C)(C)C)OCCC)cc(c3)C(C)(C)C)OCCC)cc(c1)C(C)(C)C)OCCC)C(C)(C)C)[Au]Cl
• Title of publication: A bioinspired approach for controlling accessibility in calix[4]arene-bound metal cluster catalysts.
• Authors of publication: de Silva, Namal; Ha, Jeong-Myeong; Solovyov, Andrew; Nigra, Michael M.; Ogino, Isao; Yeh, Sheila W.; Durkin, Kathleen A.; Katz, Alexander
• Journal of publication: Nature chemistry
• Year of publication: 2010
• Journal volume: 2
• Journal issue: 12
• Pages of publication: 1062 - 1068
• a: 19.695 ± 0.01 Å
• b: 14.974 ± 0.007 Å
• c: 20.876 ± 0.01 Å
• α: 90°
• β: 96.29 ± 0.006°
• γ: 90°
• Cell volume: 6120 ± 5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1014
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No