Information card for entry 7015558

Structure parameters

• Formula: C31 H31 B Cl2 Ir N6 O P S2
• Calculated formula: C31 H31 B Cl2 Ir N6 O P S2
• Title of publication: Potassium S2N-heteroscorpionates: structure and iridaboratrane formation.
• Authors of publication: López-Gómez, María J; Connelly, Neil G.; Haddow, Mairi F.; Hamilton, Alex; Lusi, Matteo; Baisch, Ulrich; Orpen, A. Guy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 17
• Pages of publication: 4647 - 4659
• a: 9.5512 ± 0.0001 Å
• b: 17.381 ± 0.0002 Å
• c: 20.3269 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3374.46 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0231
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0417
• Weighted residual factors for all reflections included in the refinement: 0.0423
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No