Information card for entry 2214458

Structure parameters

• Chemical name: Bis(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^N,N')(2-nitrobenzoato-\ κ^2^O,O')nickel(II) 2-nitrobenzoate
• Formula: C26 H20 N10 Ni O8 S4
• Calculated formula: C26 H20 N10 Ni O8 S4
• SMILES: [Ni]123([n]4c(csc4N)c4[n]1c(N)sc4)([n]1c(csc1N)c1[n]2c(N)sc1)OC(=[O]3)c1c(N(=O)=O)cccc1.N(=O)(=O)c1c(cccc1)C(=O)[O-]
• Title of publication: Bis(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')(2-nitrobenzoato-κ^2^<i>O</i>,<i>O</i>')nickel(II) 2-nitrobenzoate
• Authors of publication: Bing-Xin Liu; Guang-Hua Chen; Yuan-Yuan Lin; Yan-Ping Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1971 - m1971
• a: 15.1514 ± 0.0018 Å
• b: 13.5905 ± 0.0016 Å
• c: 16.4702 ± 0.0019 Å
• α: 90°
• β: 106.901 ± 0.002°
• γ: 90°
• Cell volume: 3245 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.119
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes