Information card for entry 7023193

Structure parameters

• Formula: C18 H36 Cr N9 S6
• Calculated formula: C18 H36 Cr N9 S6
• 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: 24.8961 ± 0.001 Å
• b: 9.3234 ± 0.0004 Å
• c: 28.4594 ± 0.0012 Å
• α: 90°
• β: 100.021 ± 0.002°
• γ: 90°
• Cell volume: 6505.1 ± 0.5 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1121
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No