Information card for entry 2221061

Structure parameters

• Chemical name: (<i>S</i>,<i>S</i>)-<i>N</i>,<i>N</i>'-Bis(1-carboxy-2- methylpropyl)ethylenediammonium 0.09-bromide 0.91-chloride cyclopentanol tetrasolvate
• Formula: C32 H66 Br0.17 Cl1.83 N2 O8
• Calculated formula: C32 H66 Br0.172 Cl1.828 N2 O8
• Title of publication: (<i>S</i>,<i>S</i>)-<i>N</i>,<i>N</i>'-Bis(1-carboxy-2-methylpropyl)ethylenediammonium dihalide cyclopentanol tetrasolvate (halide = bromide/chloride ≃1:12)
• Authors of publication: Zmejkovski, Bojana B.; Kaluderović, Goran N.; Gómez-Ruiz, Santiago; Sabo, Tibor J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o656 - o657
• a: 21.2037 ± 0.0005 Å
• b: 5.2166 ± 0.0001 Å
• c: 17.2517 ± 0.0005 Å
• α: 90°
• β: 97.037 ± 0.002°
• γ: 90°
• Cell volume: 1893.86 ± 0.08 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes