Information card for entry 7019465

Structure parameters

• Formula: C58 H65 Au Cl14 N3 O6 P
• Calculated formula: C58 H65 Au Cl14 N3 O6 P
• SMILES: [Au](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[N](CCCC)(CCCC)CCCC.[P]123(Oc4c(O1)c(Cl)c(Cl)c(Cl)c4Cl)(Oc1c(O2)c(Cl)c(Cl)c(Cl)c1Cl)Oc1c(O3)c(Cl)c(Cl)c(Cl)c1Cl.C(Cl)Cl
• Title of publication: Phosphate binding to the [Au(IPr)] moiety: inner vs. outer sphere coordination behaviour.
• Authors of publication: Gaillard, Sylvain; Rix, Diane; Slawin, Alexandra M. Z.; Lacour, Jérôme; Nolan, Steven P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 27
• Pages of publication: 8235 - 8237
• a: 15.203 ± 0.002 Å
• b: 20.357 ± 0.003 Å
• c: 24.945 ± 0.004 Å
• α: 110.743 ± 0.008°
• β: 98.496 ± 0.007°
• γ: 94.591 ± 0.007°
• Cell volume: 7067 ± 1.9 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0999
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.187
• Weighted residual factors for all reflections included in the refinement: 0.2159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No