Information card for entry 4084537

Structure parameters

• Formula: C49 H34 Cl2 N6 O3 Sn
• Calculated formula: C49 H34 Cl2 N6 O3 Sn
• SMILES: c12ccc3=C(c4ccc5=C(c6ccc7=C(c8ccc1n8[Sn](c1ccccc1)([n]67)([n]45)[n]23)c1ccc(cc1)C#N)c1cc(c(cc1OC)OC)OC)c1ccc(cc1)C#N.C(Cl)Cl
• Title of publication: Reactions of Grignard Reagents with Tin-Corrole Complexes: Demetalation Strategy and σ-Methyl/Phenyl Complexes
• Authors of publication: Sinha, Woormileela; Kar, Sanjib
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 22
• Pages of publication: 6550
• a: 9.9087 ± 0.0017 Å
• b: 21.806 ± 0.004 Å
• c: 37.724 ± 0.007 Å
• α: 86.472 ± 0.005°
• β: 89.862 ± 0.005°
• γ: 89.919 ± 0.005°
• Cell volume: 8136 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1511
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No