Information card for entry 2241043

Structure parameters

• Chemical name: Aqua-1κ<i>O</i>-{μ-2-[(2-hydroxyethyl)methylamino]ethanolato-2:1κ^4^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^:<i>O</i>^1^}[μ-2,2'-(methylimino)diethanolato-1:2κ^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>]dithiocyanato-1κ<i>N</i>,2κ<i>N</i>-chromium(III)copper(II)
• Formula: C12 H25 Cr Cu N4 O5 S2
• Calculated formula: C12 H25 Cr Cu N4 O5 S2
• Title of publication: Crystal structure of aqua-1κ<i>O</i>-{μ-2-[(2-hydroxyethyl)methylamino]ethanolato-2:1κ^4^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^:<i>O</i>^1^}[μ-2,2'-(methylimino)diethanolato-1:2κ^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>]dithiocyanato-1κ<i>N</i>,2κ<i>N</i>-chromium(III)copper(II)
• Authors of publication: Rusanova, Julia A.; Semenaka, Valentina V.; Dyakonenko, Viktoriya V.; Shishkin, Oleg V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 9
• Pages of publication: 1077 - 1080
• a: 10.57 ± 0.003 Å
• b: 14.543 ± 0.004 Å
• c: 13.94 ± 0.003 Å
• α: 90°
• β: 105.571 ± 0.003°
• γ: 90°
• Cell volume: 2064.2 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes