Information card for entry 4306994

Structure parameters

• Formula: C20 H20 N2 Ni O10 S2 W2
• Calculated formula: C20 H20 N2 Ni O10 S2 W2
• SMILES: [W]([S]1[Ni]23[S]([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])CC[N]43CCC[N]2(CC1)CCC4)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Control of S-Based Aggregation: Designed Synthesis of NiM2 and Ni2M Trinuclear Complexes
• Authors of publication: Stephen P. Jeffery; Michael L. Singleton; Joseph H. Reibenspies; Marcetta Y. Darensbourg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 179 - 185
• a: 10.4829 ± 0.0007 Å
• b: 10.5887 ± 0.0007 Å
• c: 13.7992 ± 0.0008 Å
• α: 106.304 ± 0.005°
• β: 96.606 ± 0.004°
• γ: 112.242 ± 0.004°
• Cell volume: 1317.83 ± 0.16 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0562
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No