Information card for entry 7050653

Structure parameters

• Chemical name: [{(h5-C5H5)Co(S2N2)Au}2(m2-dppm)][ClO4]2
• Formula: C35 H32 Au2 Cl2 Co2 N4 O8 P2 S4
• Calculated formula: C35 H32 Au2 Cl2 Co2 N4 O8 P2 S4
• SMILES: [Au]1([Au]([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[N]1[Co]2345(SN=S=1)[cH]1[cH]2[cH]3[cH]4[cH]51)[N]1[Co]2345(SN=S=1)[cH]1[cH]2[cH]3[cH]4[cH]51.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• 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: 14.6124 ± 0.0017 Å
• b: 12.5497 ± 0.0014 Å
• c: 24.402 ± 0.003 Å
• α: 90°
• β: 96.373 ± 0.002°
• γ: 90°
• Cell volume: 4447.2 ± 0.9 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No