Information card for entry 7014230

Structure parameters

• Common name: Compound 3
• Formula: C25 H29 Cl2 F6 In N2 O6 S2
• Calculated formula: C25 H29 Cl2 F6 In N2 O6 S2
• 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: 9.423 ± 0.0001 Å
• b: 12.504 ± 0.0002 Å
• c: 14.509 ± 0.0002 Å
• α: 85.378 ± 0.001°
• β: 83.618 ± 0.001°
• γ: 83.172 ± 0.001°
• Cell volume: 1682.95 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No