Information card for entry 7038890

Structure parameters

• Formula: C69 H61 N4 O2 P Si2
• Calculated formula: C69 H61 N4 O2 P Si2
• SMILES: C(C)(C)(C)[Si](c1ccccc1)(OP123(n4c5C(c6ccccc6)=c6n1c(cc6)=C(c1n3c(C(=c3[n]2c(c4cc5)cc3)c2ccccc2)cc1)c1ccccc1)O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Stabilization of hexa-coordinated P(v) corroles by axial silyloxy groups.
• Authors of publication: Chatterjee, Tamal; Lee, Way-Zen; Ravikanth, Mangalampalli
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 18
• Pages of publication: 7815 - 7822
• a: 16.6832 ± 0.0007 Å
• b: 14.4882 ± 0.0009 Å
• c: 23.4948 ± 0.0015 Å
• α: 90°
• β: 91.414 ± 0.003°
• γ: 90°
• Cell volume: 5677.2 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0924
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1665
• Weighted residual factors for all reflections included in the refinement: 0.1837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No