Information card for entry 7013180

Structure parameters

• Formula: C8 H18 N2 Ni P2 S2
• Calculated formula: C8 H18 N2 Ni P2 S2
• SMILES: [Ni](N=C=S)(N=C=S)([P](C)(C)C)[P](C)(C)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: 6.1832 ± 0.0013 Å
• b: 7.292 ± 0.0011 Å
• c: 16.744 ± 0.003 Å
• α: 90°
• β: 91.906 ± 0.016°
• γ: 90°
• Cell volume: 754.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0262
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No