Information card for entry 7023192

Structure parameters

• Formula: C9 H22 Cr N10 O S6
• Calculated formula: C9 H22 Cr N10 O S6
• SMILES: C(=N[Cr](N=C=S)(N=C=S)(N=C=S)(N=C=S)N=C=S)=S.CC(=O)C.[NH4+].[NH4+].[NH4+].[NH4+]
• Title of publication: Synthesis, structure and light scattering properties of tetraalkylammonium metal isothiocyanate salts.
• Authors of publication: Savard, Didier; Leznoff, Daniel B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 42
• Pages of publication: 14982 - 14991
• a: 9.6828 ± 0.0016 Å
• b: 14.744 ± 0.002 Å
• c: 16.341 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2332.9 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P c m n
• Hall space group symbol: -P 2n 2ac
• Residual factor for all reflections: 0.0972
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0782
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No