Information card for entry 7014231

Structure parameters

• Common name: Compound 2
• Formula: C25 H32 Cl2 F3 In N2 O3 S
• Calculated formula: C25 H32 Cl2 F3 In N2 O3 S
• Title of publication: Well-defined indium(III)N-heterocyclic carbene complexes with triflate ligands: structural models for the In(OTf)3 catalyst.
• Authors of publication: Cotgreave, Jamie H.; Colclough, David; Kociok-Köhn, Gabriele; Ruggiero, Giuseppe; Frost, Christopher G.; Weller, Andrew S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 10
• Pages of publication: 1519 - 1520
• a: 9.061 ± 0.0001 Å
• b: 22.38 ± 0.0003 Å
• c: 14.79 ± 0.0002 Å
• α: 90°
• β: 100.923 ± 0.001°
• γ: 90°
• Cell volume: 2944.86 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0466
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No