Information card for entry 4316942

Structure parameters

• Formula: C23 H37 N3 O6 S2
• Calculated formula: C23 H37 N3 O6 S2
• Title of publication: Facially Coordinating Triamine Ligands with a Cyclic Backbone: Some Structure-Stability Correlations
• Authors of publication: Christian Neis; David Petry; Alexandre Demangeon; Bernd Morgenstern; Dirk Kuppert; Jochen Huppert; Stefan Stucky; Kaspar Hegetschweiler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 10092 - 10107
• a: 9.28 ± 0.002 Å
• b: 9.951 ± 0.002 Å
• c: 15.008 ± 0.003 Å
• α: 102.45 ± 0.03°
• β: 104.09 ± 0.03°
• γ: 91.03 ± 0.03°
• Cell volume: 1309 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0491
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No