Information card for entry 2234833

Structure parameters

• Chemical name: {<i>S</i>-Benzyl 3-[(6-methylpyridin-2-yl-\ κ<i>N</i>)methylidene]dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>}zinc
• Formula: C30 H28 N6 S4 Zn
• Calculated formula: C30 H28 N6 S4 Zn
• SMILES: [Zn]1234([N](=Cc5[n]2c(ccc5)C)N=C(S1)SCc1ccccc1)[N](=Cc1[n]4c(ccc1)C)N=C(S3)SCc1ccccc1
• Title of publication: {<i>S</i>-Benzyl 3-[(6-methylpyridin-2-yl-κ<i>N</i>)methylidene]dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>}zinc
• Authors of publication: Ravoof, Thahira B. S. A.; Omar, Siti Aminah; Mohamed Tahir, Mohamed Ibrahim; Crouse, Karen A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m534 - m535
• a: 14.8931 ± 0.0008 Å
• b: 13.063 ± 0.0005 Å
• c: 17.1706 ± 0.0009 Å
• α: 90°
• β: 112.855 ± 0.006°
• γ: 90°
• Cell volume: 3078.3 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.0462
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for all reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes