Information card for entry 2228978

Structure parameters

• Chemical name: Di-<i>n</i>-butylbis(thiocyanato-κ<i>N</i>)(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')tin(IV)
• Formula: C22 H26 N4 S2 Sn
• Calculated formula: C22 H26 N4 S2 Sn
• SMILES: C(CCC)[Sn]1([n]2cccc3c2c2c(ccc[n]12)cc3)(N=C=S)(CCCC)N=C=S
• Title of publication: Di-<i>n</i>-butylbis(thiocyanato-κ<i>N</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<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: m210
• a: 15.0008 ± 0.0003 Å
• b: 10.522 ± 0.0002 Å
• c: 15.8359 ± 0.0003 Å
• α: 90°
• β: 107.452 ± 0.002°
• γ: 90°
• Cell volume: 2384.46 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes