Information card for entry 2222334

Structure parameters

• Chemical name: Diaquabis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II) 2,2'-dithiodinicotinate sesquihydrate
• Formula: C16 H28 Cu N6 O7.5 S2
• Calculated formula: C16 H28 Cu N6 O7.5 S2
• Title of publication: Diaquabis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II) 2,2'-dithiodinicotinate sesquihydrate
• Authors of publication: Yazicilar, Turan Kaya; Demir, Serkan; Uçar, Ibrahim; Kazak, Canan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m797 - m798
• a: 8.8302 ± 0.0009 Å
• b: 11.5975 ± 0.0011 Å
• c: 11.7132 ± 0.0011 Å
• α: 95.8 ± 0.008°
• β: 101.703 ± 0.008°
• γ: 93.493 ± 0.008°
• Cell volume: 1164.5 ± 0.2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes