Information card for entry 2017444

Structure parameters

• Chemical name: Di-μ-acesulfamato- κ^3^<i>N</i>,<i>O</i>:<i>O</i>;κ^3^<i>O</i>:<i>N</i>,<i>O</i>- bis[(acesulfamato-κ^2^<i>N</i>,<i>O</i>)bis(3-methylpyridine)cadmium(II)]
• Formula: C40 H44 Cd2 N8 O16 S4
• Calculated formula: C40 H44 Cd2 N8 O16 S4
• SMILES: c1ccc(c[n]1[Cd]123([n]4cc(ccc4)C)([N]4S(=O)(=O)OC(=CC=4O1)C)[N]1S(=O)(=O)OC(=CC=1[O]2[Cd]12([n]4cccc(c4)C)([n]4cc(ccc4)C)([N]4S(=O)(=O)OC(=CC=4O1)C)[N]1S(=O)(=O)OC(=CC=1[O]32)C)C)C
• Title of publication: Di-μ-acesulfamato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>;κ^3^<i>O</i>:<i>N</i>,<i>O</i>-bis[(acesulfamato-κ^2^<i>N</i>,<i>O</i>)bis(3-methylpyridine)cadmium(II)]
• Authors of publication: Şahin, Zarife Sibel; İçbudak, Hasan; Işık, Şamil
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m463 - m465
• a: 14.9475 ± 0.0012 Å
• b: 16.5004 ± 0.0011 Å
• c: 21.4067 ± 0.0015 Å
• α: 90°
• β: 108.427 ± 0.006°
• γ: 90°
• Cell volume: 5009 ± 0.7 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.05
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes