Information card for entry 2012816

Structure parameters

• Formula: C42 H56 Ni O4 P2 S4
• Calculated formula: C42 H56 Ni O4 P2 S4
• Title of publication: <i>trans</i>-Bis[<i>O</i>-2,4-di-<i>tert</i>-butylphenyl (4-methoxyphenyl)dithiophosphonato-κ^2^<i>S</i>,<i>S</i>']nickel(II)
• Authors of publication: Özcan, Yusuf; Ide, Semra; Karakus̨, Mehmet; Yılmaz, Hamza
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: m388 - m389
• a: 8.1782 ± 0.0018 Å
• b: 32.06 ± 0.012 Å
• c: 8.709 ± 0.003 Å
• α: 90°
• β: 94.68 ± 0.03°
• γ: 90°
• Cell volume: 2275.8 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No