Information card for entry 2007815

Structure parameters

• Chemical name: (μ-κO,O'-1,9-(2,4-pentanedioneimino)-3,7-dithianonane)- bis(iodotri(p-tolyl)tin(IV))
• Formula: C59 H72 I2 N2 O2 S2 Sn2
• Calculated formula: C59 H72 I2 N2 O2 S2 Sn2
• SMILES: [Sn](I)([O]=C(C=C(NCCSCCCSCCNC(=CC(=[O][Sn](I)(c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)/C)C)/C)C)(c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: 2:1 Adducts of Halotris(<i>p</i>-tolyl)tin(IV) with 1,9-Bis(4-oxopent-2-en-2-ylamino)-3,7-dithianonane
• Authors of publication: Bajue, Stanley A.; Bramwell, Fitzgerald B.; Brock, Carolyn Pratt; Bontemps, Jeuneviette
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 1618 - 1622
• a: 22.7565 ± 0.0012 Å
• b: 10.3774 ± 0.0011 Å
• c: 26.752 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6317.6 ± 1 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.054
• Goodness-of-fit parameter for all reflections: 1.04
• Goodness-of-fit parameter for significantly intense reflections: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No