Information card for entry 2228208

Structure parameters

• Chemical name: Bis(dicyclohexylammonium) μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^- bis[aqua(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)diphenylstannate(IV)]
• Formula: C54 H72 N2 O14 Sn2
• Calculated formula: C54 H72 N2 O14 Sn2
• SMILES: [NH2+](C1CCCCC1)C1CCCCC1.C1(=O)C(=O)O[Sn]2(c3ccccc3)(O1)([O]=C1O[Sn]3(c4ccccc4)(OC(=O)C(=O)O3)([O]=C1O2)([OH2])c1ccccc1)([OH2])c1ccccc1.[NH2+](C1CCCCC1)C1CCCCC1
• Title of publication: Bis(dicyclohexylammonium) μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^-bis[aqua(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)diphenylstannate(IV)]
• Authors of publication: Gueye, Ndongo; Diop, Libasse; Molloy, K. C. Kieran; Kociok-Köhn, Gabrielle
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1645 - m1646
• a: 13.1725 ± 0.0004 Å
• b: 14.6121 ± 0.0004 Å
• c: 14.1139 ± 0.0004 Å
• α: 90°
• β: 100.869 ± 0.002°
• γ: 90°
• Cell volume: 2667.88 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes