Information card for entry 7000316

Structure parameters

• Common name: Compound X
• Formula: C84 H84 Au4 N2 O4 P4 S4
• Calculated formula: C84 H84 Au4 N2 O4 P4 S4
• SMILES: c1(ccc(cc1)OC)S[Au][P](CN(CCCCN(C[P]([Au]Sc1ccc(cc1)OC)(c1ccccc1)c1ccccc1)C[P]([Au]Sc1ccc(OC)cc1)(c1ccccc1)c1ccccc1)C[P]([Au]Sc1ccc(OC)cc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Dendritic (phosphine)gold(i) thiolate complexes: assessment of the molecular size through PGSE NMR studies
• Authors of publication: Fernández, Eduardo J.; Laguna, Antonio; Monge, Miguel; Montiel, Manuel; Olmos, M. Elena; Pérez, Javier; Sánchez-Forcada, Eva
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 3
• Pages of publication: 474 - 480
• a: 10.1723 ± 0.0005 Å
• b: 12.2395 ± 0.0004 Å
• c: 17.4731 ± 0.0007 Å
• α: 70.083 ± 0.002°
• β: 74.742 ± 0.002°
• γ: 79.701 ± 0.002°
• Cell volume: 1963.7 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0406
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No