Information card for entry 2207372

Structure parameters

• Chemical name: Bis(1,10-phenanthroline)dithiocyanatozinc(II)
• Formula: C26 H16 N6 S2 Zn
• Calculated formula: C26 H16 N6 S2 Zn
• SMILES: c1ccc2c3c4c(cc2)ccc[n]4[Zn]2([n]13)(N=C=S)([n]1cccc3c1c1c(cc3)ccc[n]21)N=C=S
• Title of publication: Bis(1,10-phenanthroline)dithiocyanatozinc(II)
• Authors of publication: Ying-Ying Liu; Jian-Fang Ma; Jin Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2367 - m2368
• a: 13.147 ± 0.005 Å
• b: 10.088 ± 0.005 Å
• c: 17.549 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2327.5 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes