Information card for entry 4105700

Structure parameters

• Formula: C30 H34 Cl2 Ni P2 S2
• Calculated formula: C30 H34 Cl2 Ni P2 S2
• SMILES: c1(ccccc1)[P]1(c2ccccc2)CC[S]([Ni]21(Cl)([P](c1ccccc1)(c1ccccc1)CC[S]2C)Cl)C
• Title of publication: Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands
• Authors of publication: Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 3023 - 3033
• a: 10.9469 ± 0.001 Å
• b: 9.9127 ± 0.0009 Å
• c: 14.182 ± 0.0014 Å
• α: 90°
• β: 106.996 ± 0.004°
• γ: 90°
• Cell volume: 1471.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0283
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No