Information card for entry 7031337

Structure parameters

• Formula: C42 H27 Cl N6 O3 Sn
• Calculated formula: C42 H27 Cl N6 O3 Sn
• SMILES: c12ccc3C(=c4ccc5C(=c6ccc7=C(c8ccc1n8[Sn](n23)([n]45)(n67)Cl)c1ccc(cc1)C#N)c1c(cc(c(c1)OC)OC)OC)c1ccc(cc1)C#N
• Title of publication: Semi-insulating behaviour of self-assembled tin(iv)corrole nanospheres.
• Authors of publication: Sinha, Woormileela; Kumar, Mohit; Garai, Antara; Purohit, Chandra Shekhar; Som, Tapobrata; Kar, Sanjib
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 33
• Pages of publication: 12564 - 12573
• a: 17.9986 ± 0.0012 Å
• b: 12.5973 ± 0.0009 Å
• c: 16.2495 ± 0.001 Å
• α: 90°
• β: 97.845 ± 0.003°
• γ: 90°
• Cell volume: 3649.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No