Information card for entry 7035209

Structure parameters

• Formula: C86 H68 Au4 Cl12 N6 P4
• Calculated formula: C86 H68 Au4 Cl12 N6 P4
• SMILES: [P]([Au]n1c(c(c2ccc(c3c(n(nn3)[Au][P](c3ccccc3)(c3ccccc3)c3ccccc3)[Au][P](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)nn1)[Au][P](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Organogold oligomers: exploiting iClick and aurophilic cluster formation to prepare solution stable Au4 repeating units.
• Authors of publication: Yang, Xi; Wang, Shanshan; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 25
• Pages of publication: 11437 - 11443
• a: 12.4497 ± 0.0008 Å
• b: 12.8216 ± 0.0008 Å
• c: 15.5296 ± 0.001 Å
• α: 91.385 ± 0.001°
• β: 106.155 ± 0.001°
• γ: 112.428 ± 0.001°
• Cell volume: 2177.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No