Information card for entry 4304312

Structure parameters

• Common name: [(bme-dach)Co(NO)]W(CO)4
• Formula: C13 H18 Co N3 O5 S2 W
• Calculated formula: C13 H18 Co N3 O5 S2 W
• SMILES: [W]1([S]2[Co]34([S]1CC[N]14CC[N]3(CC2)CCC1)N=O)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Electronic Effects of (N2S2)M(NO) Complexes (M = Fe, Co) as Metallodithiolate Ligands
• Authors of publication: Jennifer L. Hess; Harold L. Conder; Kayla N. Green; Marcetta Y. Darensbourg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 2056 - 2063
• a: 7.656 ± 0.003 Å
• b: 17.397 ± 0.006 Å
• c: 14.081 ± 0.005 Å
• α: 90°
• β: 105.091 ± 0.008°
• γ: 90°
• Cell volume: 1810.8 ± 1.1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.1509
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No