Information card for entry 2215023

Structure parameters

• Chemical name: Bis(thiocyanato-κN)bis(triphenylphosphine oxide-κO)zinc(II)
• Formula: C38 H30 N2 O2 P2 S2 Zn
• Calculated formula: C38 H30 N2 O2 P2 S2 Zn
• SMILES: [Zn]([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)(N=C=S)N=C=S
• Title of publication: Bis(thiocyanato-κ<i>N</i>)bis(triphenylphosphine oxide-κ<i>O</i>)zinc(II)
• Authors of publication: Li, Yinhuai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2359 - m2359
• a: 9.9695 ± 0.0006 Å
• b: 19.6036 ± 0.0012 Å
• c: 21.2407 ± 0.0012 Å
• α: 116.799 ± 0.003°
• β: 98.316 ± 0.003°
• γ: 95.098 ± 0.003°
• Cell volume: 3610.2 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes