Information card for entry 7023195

Structure parameters

• Formula: C29 H60 Mn N8 S5
• Calculated formula: C29 H60 Mn N8 S5
• 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: 9.935 ± 0.009 Å
• b: 14.689 ± 0.014 Å
• c: 15.919 ± 0.015 Å
• α: 80.442 ± 0.016°
• β: 72.682 ± 0.017°
• γ: 81.387 ± 0.018°
• Cell volume: 2175 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1654
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections: 0.2162
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0774
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No