Information card for entry 2203427

Structure parameters

• Chemical name: [1,2-bis(diphenylphosphino)ethane](2,3-quionoxalinedithiolato)nickel
• Formula: C34 H28 N2 Ni P2 S2
• Calculated formula: C34 H28 N2 Ni P2 S2
• SMILES: [Ni]12(Sc3nc4c(nc3S2)cccc4)[P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1
• Title of publication: [1,2-Bis(diphenylphosphino)ethane](2,3-quinoxalinedithiolato)nickel(II)
• Authors of publication: Ni, Chun-Lin; Li, Yi-Zhi; Ni, Zhao-Ping; Dang, Dong-Bin; Meng, Qin-jing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: m410 - m412
• a: 11.427 ± 0.001 Å
• b: 12.947 ± 0.001 Å
• c: 20.752 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3070.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1526
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes