Information card for entry 7023145

Structure parameters

• Common name: AO_H19
• Chemical name: katz23
• Formula: C56 H50 Au2 Cl2 O4 P2
• Calculated formula: C56 H50 Au2 Cl2 O4 P2
• SMILES: c1(ccccc1)[P](c1ccccc1)(COc1c2cccc1Cc1c(c(ccc1)Cc1c(c(ccc1)Cc1c(c(ccc1)C2)OC)OC[P](c1ccccc1)(c1ccccc1)[Au]Cl)OC)[Au]Cl
• Title of publication: Accessible gold clusters using calix[4]arene N-heterocyclic carbene and phosphine ligands.
• Authors of publication: Nigra, Michael M.; Yeh, Alexander J.; Okrut, Alexander; DiPasquale, Antonio G.; Yeh, Sheila W.; Solovyov, Andrew; Katz, Alexander
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 35
• Pages of publication: 12762 - 12771
• a: 21.9608 ± 0.0009 Å
• b: 11.5983 ± 0.0005 Å
• c: 42.5243 ± 0.0018 Å
• α: 90°
• β: 94.551 ± 0.002°
• γ: 90°
• Cell volume: 10797.1 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0497
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No