Information card for entry 2010736

Structure parameters

• Chemical name: cis-diiodo-trans-dimethyl-cis-bis(N-methylpyrrolidin-2-one-O)tin(IV)
• Formula: C12 H24 I2 N2 O2 Sn
• Calculated formula: C12 H24 I2 N2 O2 Sn
• SMILES: [Sn](C)(C)(I)(I)([O]=C1CCCN1C)[O]=C1CCCN1C
• Title of publication: Complexes of dimethyltin dihalides with <i>N</i>-methylpyrrolidinone, C~12~H~24~N~2~O~2~<i>X</i>~2~Sn (<i>X</i> = Cl, Br or I)
• Authors of publication: König, Uwe-Christoph; Berkei, Michael; Neikes, Frank; Preut, Hans; Mitchell, Terence Nigel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 324 - 326
• a: 7.396 ± 0.001 Å
• b: 8.327 ± 0.002 Å
• c: 15.406 ± 0.003 Å
• α: 90°
• β: 90.31 ± 0.03°
• γ: 90°
• Cell volume: 948.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for all reflections included in the refinement: 0.043
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes