Information card for entry 4310259

Structure parameters

• Formula: C29 H21 As Cl4 N2 O4 S2
• Calculated formula: C29 H21 As Cl4 N2 O4 S2
• SMILES: [As](Cl)(SCCN1C(=O)c2c3c(ccc2)cccc3C1=O)SCCN1C(=O)c2c3c(ccc2)cccc3C1=O.ClC(Cl)Cl
• Title of publication: Secondary Bonding Interactions Observed in Two Arsenic Thiolate Complexes
• Authors of publication: Timothy G. Carter; Elisabeth Rather Healey; Melanie A. Pitt; Darren W. Johnson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 9634 - 9636
• a: 7.9782 ± 0.0007 Å
• b: 18.8417 ± 0.0016 Å
• c: 20.3116 ± 0.0017 Å
• α: 97.856 ± 0.002°
• β: 97.098 ± 0.002°
• γ: 91.123 ± 0.002°
• Cell volume: 2999.4 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.178
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No