Information card for entry 2228980

Structure parameters

• Chemical name: (4,7-Diphenyl-1,10-phenanthroline- κ^2^<i>N</i>,<i>N'</i>)dimethylbis(thiocyanato-κ<i>N</i>)tin(IV)
• Formula: C28 H22 N4 S2 Sn
• Calculated formula: C28 H22 N4 S2 Sn
• SMILES: [Sn]1([n]2c3c4[n]1ccc(c4ccc3c(cc2)c1ccccc1)c1ccccc1)(N=C=S)(N=C=S)(C)C
• Title of publication: (4,7-Diphenyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')dimethylbis(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: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m244
• a: 17.1918 ± 0.0002 Å
• b: 8.1907 ± 0.0002 Å
• c: 18.3045 ± 0.0003 Å
• α: 90°
• β: 98.042 ± 0.001°
• γ: 90°
• Cell volume: 2552.16 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0447
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes