Information card for entry 2230000

Structure parameters

• Chemical name: Bis(<i>N</i>-isopropyl-<i>N</i>-methyldithiocarbamato- κ^2^<i>S</i>,<i>S</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc
• Formula: C22 H28 N4 S4 Zn
• Calculated formula: C22 H28 N4 S4 Zn
• SMILES: [Zn]123([S]=C(S1)N(C)C(C)C)([S]=C(S2)N(C)C(C)C)[n]1cccc2c1c1[n]3cccc1cc2
• Title of publication: Bis(<i>N</i>-isopropyl-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc
• Authors of publication: Wahab, Nor Asiken Abdul; Baba, Ibrahim; Mohamed Tahir, Mohamed Ibrahim; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m553 - m554
• a: 11.8015 ± 0.0003 Å
• b: 16.6316 ± 0.0004 Å
• c: 13.7505 ± 0.0003 Å
• α: 90°
• β: 101.738 ± 0.002°
• γ: 90°
• Cell volume: 2642.48 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.051
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes