Information card for entry 7015553

Structure parameters

• Formula: C11.5 H16 B K N6 O0.5 S2
• Calculated formula: C11.5 H16 B K N6 O0.5 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: 10.8712 ± 0.0002 Å
• b: 12.5318 ± 0.0003 Å
• c: 13.7319 ± 0.0003 Å
• α: 113.484 ± 0.001°
• β: 100.682 ± 0.001°
• γ: 94.266 ± 0.001°
• Cell volume: 1663.12 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No