Information card for entry 7050652

Structure parameters

• Formula: C46 H55 Au2 Cl4 Ir2 N4 O8 P2 S4
• Calculated formula: C46 H55 Au2 Cl4 Ir2 N4 O8 P2 S4
• SMILES: [N]1([Ir]2345([c]6([c]5([c]4([c]3([c]26C)C)C)C)C)SN=S=1)[Au]1[Au]([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[N]1=S=NS[Ir]23451[c]1([c]5([c]4([c]3([c]21C)C)C)C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].C(Cl)Cl
• Title of publication: N-Metallation of MS2N2 rings. X-ray crystal structures of [(?5-C5Me5)Ir(S2N2)Au(PPh3)][ClO4], [{(?5-C5Me5)Ir(S2N2)Au}2(�2-dppm)][ClO4]2 and [Au(dppeS-P)Cl]2
• Authors of publication: Aucott, Stephen M.; Bhattacharyya, Pravat; Milton, Heather L.; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: New Journal of Chemistry
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 10
• Pages of publication: 1466
• a: 32.363 ± 0.008 Å
• b: 10.367 ± 0.003 Å
• c: 16.838 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5649 ± 3 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 9
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No