Information card for entry 2014622

Structure parameters

• Chemical name: Hexakis(S,S-diphenylsulfimide)cobalt(II) diiodide diphenylsulfimide acetonitrile disolvate
• Formula: C88 H83 Co I2 N9 S7
• Calculated formula: C88 H83 Co I2 N9 S7
• SMILES: [I-].[I-].[Co]([NH]=S(c1ccccc1)c1ccccc1)([NH]=S(c1ccccc1)c1ccccc1)([NH]=S(c1ccccc1)c1ccccc1)([NH]=S(c1ccccc1)c1ccccc1)([NH]=S(c1ccccc1)c1ccccc1)[NH]=S(c1ccccc1)c1ccccc1.N=S(c1ccccc1)c1ccccc1.N#CC.N#CC
• Title of publication: The effect of hydrogen-bonding anions on the structure of metal‒sulfimide complexes
• Authors of publication: Dale, Sophie H.; Elsegood, Mark R. J.; Holmes, Kathryn E.; Kelly, Paul F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: m34 - m39
• a: 13.0776 ± 0.0006 Å
• b: 15.1667 ± 0.0007 Å
• c: 22.4675 ± 0.0011 Å
• α: 73.557 ± 0.002°
• β: 87.49 ± 0.002°
• γ: 78.807 ± 0.002°
• Cell volume: 4192.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0614
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes