Information card for entry 4070425

Structure parameters

• Formula: C72 H75 Cl2 In3 O4
• Calculated formula: C72 H75 Cl2 In3 O4
• SMILES: Cc1c(c2c([In]3(Cl)O[In]4(O[In](Cl)(O4)c4c(c5c(C)cc(cc5C)C)cccc4c4c(cc(cc4C)C)C)(O3)c3c(cccc3c3c(C)cc(cc3C)C)c3c(cc(C)cc3C)C)c(c3c(C)cc(cc3C)C)ccc2)c(C)cc(c1)C
• Title of publication: Synthesis and Structure of Polynuclear Indoxanes and Thalloxanes Containing Bulkym-Terphenyl Substituents
• Authors of publication: Ahmad, S. Usman; Beckmann, Jens
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 24
• Pages of publication: 6893
• a: 13.3 ± 0.008 Å
• b: 16.108 ± 0.009 Å
• c: 18.934 ± 0.007 Å
• α: 89.87 ± 0.04°
• β: 105.87 ± 0.04°
• γ: 90.73 ± 0.05°
• Cell volume: 3901 ± 4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1766
• Weighted residual factors for all reflections included in the refinement: 0.1943
• 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