Information card for entry 7013187

Structure parameters

• Formula: C18 H18 N8 S2
• Calculated formula: C18 H18 N8 S2
• SMILES: S(Sc1n(nnn1)c1c(cccc1C)C)c1n(nnn1)c1c(cccc1C)C
• Title of publication: Reactivity of di(azido)bis(phosphine) complexes of Ni(ii), Pd(ii) and Pt(ii) toward organic isothiocyanates: synthesis, structures, and properties of bis(tetrazole-thiolato) and bis(isothiocyanato) complexes
• Authors of publication: Kim, Yong-Joo; Han, Jin-Taek; Kang, Seok; Han, Won Seok; Lee, Soon W.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 17
• Pages of publication: 3357
• a: 11.115 ± 0.003 Å
• b: 13.732 ± 0.003 Å
• c: 13.616 ± 0.004 Å
• α: 90°
• β: 93.46 ± 0.02°
• γ: 90°
• Cell volume: 2074.4 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1824
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.1955
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No