Information card for entry 2227028

Structure parameters

• Chemical name: Di-μ-nicotinato-κ^2^<i>N</i>:<i>O</i>;κ^2^<i>O</i>:<i>N</i>- bis[aquabis(4-bromobenzyl)(nicotinato-κ^2^<i>O</i>,<i>O</i>')tin(IV)]
• Formula: C52 H44 Br4 N4 O10 Sn2
• Calculated formula: C52 H44 Br4 N4 O10 Sn2
• SMILES: [Sn]12([O]=C(O1)c1cccnc1)(OC(=O)c1ccc[n]([Sn]3(OC(=[O]3)c3cccnc3)(OC(=O)c3ccc[n]2c3)([OH2])(Cc2ccc(Br)cc2)Cc2ccc(Br)cc2)c1)([OH2])(Cc1ccc(Br)cc1)Cc1ccc(Br)cc1
• Title of publication: Di-μ-nicotinato-κ^2^<i>N</i>:<i>O</i>;κ^2^<i>O</i>:<i>N</i>-bis[aquabis(4-bromobenzyl)(nicotinato-κ^2^<i>O</i>,<i>O</i>')tin(IV)]
• Authors of publication: Keng, Chun Thy; Lo, Kong Mun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m1008
• a: 28.3754 ± 0.0013 Å
• b: 16.7568 ± 0.0007 Å
• c: 21.5642 ± 0.001 Å
• α: 90°
• β: 90.998 ± 0.001°
• γ: 90°
• Cell volume: 10251.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0379
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes