Information card for entry 2018085

Structure parameters

• Chemical name: <i>cis</i>-dichlorido-<i>trans</i>-dimethyl-<i>cis</i>- bis(<i>N</i>,<i>N</i>',<i>N</i>''-tricyclohexylphosphoric triamide-κ<i>O</i>)tin(IV)
• Formula: C38 H78 Cl2 N6 O2 P2 Sn
• Calculated formula: C38 H78 Cl2 N6 O2 P2 Sn
• SMILES: [Sn](Cl)(Cl)([O]=P(NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1)([O]=P(NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1)(C)C
• Title of publication: The hydrogen-bonded dimers of <i>N</i>,<i>N</i>',<i>N</i>''-tricyclohexylphosphoric triamide in new tin(IV) and copper(II) complexes
• Authors of publication: Pourayoubi, Mehrdad; Golen, James A.; Rostami Chaijan, Mahnaz; Divjakovic, Vladimir; Negari, Monireh; Rheingold, Arnold L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m160 - m164
• a: 12.0882 ± 0.0006 Å
• b: 25.1607 ± 0.0013 Å
• c: 15.8103 ± 0.0008 Å
• α: 90°
• β: 108.879 ± 0.001°
• γ: 90°
• Cell volume: 4550 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0302
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes