Information card for entry 4306995

Structure parameters

• Common name: N-2W(CO)5
• Formula: C15 H20 N2 Ni O7 S2 W
• Calculated formula: C15 H20 N2 Ni O7 S2 W
• SMILES: [W]([S]1[Ni]23S(=O)(=O)CC[N]42CCC[N]3(CCC4)CC1)(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: 7.4188 ± 0.0013 Å
• b: 13.712 ± 0.002 Å
• c: 20.111 ± 0.004 Å
• α: 90°
• β: 94.62 ± 0.003°
• γ: 90°
• Cell volume: 2039.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0616
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No