Information card for entry 2206628

Structure parameters

• Chemical name: (2,6-diacetylpyridine bis(S-benzyldithiocarbazate-κ^5^N,N,N,S,S) dichloro tin(IV)
• Formula: C25 H23 Cl2 N5 S4 Sn
• Calculated formula: C25 H23 Cl2 N5 S4 Sn
• SMILES: [n]12[Sn]345(Cl)([N](=C(c1cccc2C(C)=[N]3N=C(S5)SCc1ccccc1)C)N=C(S4)SCc1ccccc1)Cl
• Title of publication: A seven-coordinated tin(IV) complex: dichloro[2,6-diacetylpyridine bis(<i>S</i>-benzyldithiocarbazato- κ^5^<i>S</i>,<i>N</i>,<i>N</i>',<i>N</i>'',<i>S</i>']tin(IV)
• Authors of publication: Sousa, Gerimário F. de; Valdés Martínez, Jesús; Hernández-Ortega, Simón
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2921 - o2923
• a: 7.6309 ± 0.0005 Å
• b: 15.724 ± 0.001 Å
• c: 23.972 ± 0.002 Å
• α: 90°
• β: 93.235 ± 0.001°
• γ: 90°
• Cell volume: 2871.7 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No