Information card for entry 4304311

Structure parameters

• Common name: (bme-dach)Co(NO)
• Formula: C9 H18 Co N3 O S2
• Calculated formula: C9 H18 Co N3 O S2
• SMILES: [Co]123(SCC[N]42CC[N]3(CCC4)CCS1)N=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: 7.382 ± 0.002 Å
• b: 8.006 ± 0.003 Å
• c: 11.854 ± 0.004 Å
• α: 98.381 ± 0.005°
• β: 99.59 ± 0.006°
• γ: 114.09 ± 0.005°
• Cell volume: 612.6 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1602
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No