Information card for entry 2236823

Structure parameters

• Chemical name: Dimethyl(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato- κ<i>N</i>)tin(IV)
• Formula: C16 H14 N4 S2 Sn
• Calculated formula: C16 H14 N4 S2 Sn
• SMILES: C[Sn]1([n]2cccc3c2c2c(ccc[n]12)cc3)(N=C=S)(C)N=C=S
• Title of publication: Dimethyl(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)tin(IV)
• Authors of publication: Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m1544
• a: 6.8218 ± 0.0007 Å
• b: 12.9272 ± 0.0013 Å
• c: 20.746 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1829.5 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes