Information card for entry 7008785

Structure parameters

• Formula: C27 H31 N3 Ni P2 S2
• Calculated formula: C27 H31 N3 Ni P2 S2
• Title of publication: Bis(isothiocyanato)bis(phosphine) complexes of group 10 metals: reactivity toward organic isocyanides
• Authors of publication: Chang, Xiaohong; Lee, Kyung-Eun; Il Jeon, Sang; Kim, Yong-Joo; Lee, H.-K.; Lee, Soon W.
• Journal of publication: Dalton Transactions
• Year of publication: 2005
• Journal issue: 23
• Pages of publication: 3722
• a: 14.503 ± 0.003 Å
• b: 12.9769 ± 0.0015 Å
• c: 15.918 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2995.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1722
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No