Information card for entry 1508142

Structure parameters

• Common name: ns173a
• Chemical name: ns173a
• Formula: C76 H90 Au2 Cl2 O4 P2
• Calculated formula: C76 H90 Au2 Cl2 O4 P2
• SMILES: [Au](Cl)[P](COc1c2cc(cc1Cc1c(OCCC)c(cc(c1)C(C)(C)C)Cc1c(OC[P]([Au]Cl)(c3ccccc3)c3ccccc3)c(cc(c1)C(C)(C)C)Cc1c(OCCC)c(cc(c1)C(C)(C)C)C2)C(C)(C)C)(c1ccccc1)c1ccccc1
• 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: 14.6239 ± 0.001 Å
• b: 25.8803 ± 0.0018 Å
• c: 21.5065 ± 0.0015 Å
• α: 90°
• β: 108.762 ± 0.001°
• γ: 90°
• Cell volume: 7707.1 ± 0.9 ų
• Cell temperature: 136 ± 2 K
• Ambient diffraction temperature: 136 ± 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: 0.0788
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No