Information card for entry 1544579

Structure parameters

• Chemical name: (4'-Phenyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')bis(thiocyanato-κ<i>N</i>)zinc(II) unknown solvate
• Formula: C23 H15 N5 S2 Zn
• Calculated formula: C23 H15 N5 S2 Zn
• SMILES: [Zn]12([n]3c(c4[n]1c(cc(c1ccccc1)c4)c1[n]2cccc1)cccc3)(N=C=S)N=C=S
• Title of publication: (4'-Phenyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')bis(thiocyanato-κ<i>N</i>)zinc(II) unknown solvate
• Authors of publication: Wang, An-ran; Wang, Cong; Li, Sheng-Li
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 11
• Pages of publication: x161758
• a: 11.518 ± 0.005 Å
• b: 25.095 ± 0.005 Å
• c: 23.137 ± 0.005 Å
• α: 90°
• β: 98.217 ± 0.005°
• γ: 90°
• Cell volume: 6619 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.1614
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.1821
• Weighted residual factors for all reflections included in the refinement: 0.2133
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes