Information card for entry 2220178

Structure parameters

• Chemical name: <i>cyclo</i>-Hexa-μ~2~-diphenylacetato-κ^12^<i>O</i>:<i>O</i>'-hexa-μ~3~- oxido-hexakis[phenyltin(IV)]
• Formula: C120 H96 O18 Sn6
• Calculated formula: C120 H96 O18 Sn6
• SMILES: c1(ccccc1)[Sn]1234[O]=C(O[Sn]567([O]2[Sn]28(c9ccccc9)([O]=C(O1)C(c1ccccc1)c1ccccc1)OC(=[O][Sn]19([O]32)([O]8[Sn]23(c8ccccc8)([O]=C(O1)C(c1ccccc1)c1ccccc1)OC(=[O][Sn](c1ccccc1)([O]=C(O7)C(c1ccccc1)c1ccccc1)([O]92)([O]53)[O]46)C(c1ccccc1)c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
• Title of publication: <i>cyclo</i>-Hexa-μ~2~-diphenylacetato-κ^12^<i>O</i>:<i>O</i>'-hexa-μ~3~-oxido-hexakis[phenyltin(IV)]
• Authors of publication: Amini, Mostafa M.; Hajiashrafi, Taraneh; Kharat, Ali Nemati; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1614
• a: 12.9375 ± 0.0002 Å
• b: 14.7406 ± 0.0002 Å
• c: 14.8043 ± 0.0002 Å
• α: 103.368 ± 0.001°
• β: 111.716 ± 0.001°
• γ: 92.582 ± 0.001°
• Cell volume: 2525.06 ± 0.07 ų
• Cell temperature: 112 ± 2 K
• Ambient diffraction temperature: 112 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes