Information card for entry 2231001

Structure parameters

• Chemical name: Bis[<i>N</i>-(2-aminoethyl)ethane-1,2-diamine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']copper(II) tris[diamminetetrakis(thiocyanato-κ<i>N</i>)chromate(III)] thiocyanate dimethyl sulfoxide tetradecasolvate monohydrate
• Formula: C57 H156 Cr3 Cu2 N31 O15 S27
• Calculated formula: C57 H156 Cr3 Cu2 N31 O15 S27
• Title of publication: Bis[<i>N</i>-(2-aminoethyl)ethane-1,2-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']copper(II) tris[diamminetetrakis(thiocyanato-κ<i>N</i>)chromate(III)] thiocyanate dimethyl sulfoxide tetradecasolvate monohydrate
• Authors of publication: Nikitina, Vitalina M.; Nesterova, Oksana V.; Zubatyuk, Roman I.; Shishkin, Oleg V.; Rusanova, Julia A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1023 - m1024
• a: 11.911 ± 0.0002 Å
• b: 26.5332 ± 0.0005 Å
• c: 20.2756 ± 0.0004 Å
• α: 90°
• β: 91.256 ± 0.002°
• γ: 90°
• Cell volume: 6406.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes