Information card for entry 2208032

Structure parameters

• Chemical name: (2,2'-Diamino-4,4'-bi-1,3-thiazole-κ^2^N,N')bis(glycinato-κ^2^N,O)nickel(II) dihydrate
• Formula: C10 H18 N6 Ni O6 S2
• Calculated formula: C10 H18 N6 Ni O6 S2
• SMILES: s1c([n]2c(c1)c1csc([n]1[Ni]132([NH2]CC(=O)O1)[NH2]CC(=O)O3)N)N.O.O
• Title of publication: (2,2'-Diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')bis(glycinato-κ^2^<i>N</i>,<i>O</i>)nickel(II) dihydrate
• Authors of publication: Bing-Xin Liu; Jian-Yong Yu; Duan-Jun Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: m222 - m223
• a: 13.0342 ± 0.0012 Å
• b: 8.9631 ± 0.0011 Å
• c: 14.0836 ± 0.0012 Å
• α: 90°
• β: 92.811 ± 0.008°
• γ: 90°
• Cell volume: 1643.4 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No