Information card for entry 1508141

Structure parameters

• Common name: ndsw114xs
• Chemical name: nds114xs
• Formula: C72 H82 Au2 Cl2 O4 P2
• Calculated formula: C72 H82 Au2 Cl2 O4 P2
• SMILES: [Au](Cl)[P](c1ccccc1)(c1ccccc1)COc1c2cc(cc1Cc1cc(cc(c1OC)Cc1c(OC[P]([Au]Cl)(c3ccccc3)c3ccccc3)c(cc(c1)C(C)(C)C)Cc1cc(cc(c1OC)C2)C(C)(C)C)C(C)(C)C)C(C)(C)C
• 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: 19.59 ± 0.004 Å
• b: 22.495 ± 0.005 Å
• c: 20.59 ± 0.004 Å
• α: 90°
• β: 105.26 ± 0.03°
• γ: 90°
• Cell volume: 8754 ± 3 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No