Information card for entry 2203135

Structure parameters

• Chemical name: Bis(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^N,N')dichloronickel(II) dihydrate
• Formula: C12 H16 Cl2 N8 Ni O2 S4
• Calculated formula: C12 H16 Cl2 N8 Ni O2 S4
• SMILES: [Ni]12(Cl)(Cl)([n]3c(scc3c3[n]1c(sc3)N)N)[n]1c(scc1c1[n]2c(sc1)N)N.O.O
• Title of publication: Dichlorobis(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')nickel(II) dihydrate
• Authors of publication: Liu, Jia-Geng; Xu, Duan-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: m108 - m110
• a: 10.814 ± 0.002 Å
• b: 13.534 ± 0.003 Å
• c: 15.061 ± 0.003 Å
• α: 90°
• β: 106.561 ± 0.014°
• γ: 90°
• Cell volume: 2112.8 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.106
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 0.811
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes