Information card for entry 4346094

Structure parameters

• Formula: C37 H68 Au6 Cl3 N6 O P3
• Calculated formula: C37 H68 Au6 Cl3 N6 O P3
• SMILES: c12[Au][n]3c([Au][n]4c([Au][n]2ccn1[P](C(C)(C)C)(C(C)(C)C)[Au]Cl)n(cc4)[P](C(C)(C)C)(C(C)(C)C)[Au]Cl)n(cc3)[P](C(C)(C)C)(C(C)(C)C)[Au]Cl.O1CCCC1
• Title of publication: Aurophilicity-triggered assembly of novel cyclic penta- and hexanuclear gold(I) complexes with rigid anionic NHC-type ligands.
• Authors of publication: Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 3722 - 3724
• a: 14.7827 ± 0.0006 Å
• b: 14.7902 ± 0.0006 Å
• c: 29.408 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6429.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No