Information card for entry 7036953

Structure parameters

• Formula: C48 H48 Cl2 N6 Ni O8 P2 S4
• Calculated formula: C48 H48 Cl2 N6 Ni O8 P2 S4
• Title of publication: Thioiminium and thiaphospholanium derived from acetonitrile via nickel(ii)-(2-mercaptophenyl)phosphine complexation.
• Authors of publication: Chang, Hao-Ching; Hsu, Yu-Chen; Chen, Chia-Hui; Kuo, Ting-Shen; Lee, Way-Zen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 48
• Pages of publication: 20808 - 20811
• a: 9.5352 ± 0.0003 Å
• b: 11.8573 ± 0.0005 Å
• c: 13.0288 ± 0.0006 Å
• α: 80.481 ± 0.002°
• β: 73.24 ± 0.002°
• γ: 76.247 ± 0.002°
• Cell volume: 1362.6 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1183
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1699
• Weighted residual factors for all reflections included in the refinement: 0.2237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No