Information card for entry 7007857

Structure parameters

• Formula: C20 H49 B16 Cl Ir2
• Calculated formula: C20 H49 B16 Cl Ir2
• Title of publication: Macropolyhedral boron-containing cluster chemistry. Cluster opening and B-frame rearrangement in the reaction of B(16)H(20) with [{(IrCl(2)(eta(5)-C(5)Me(5))}(2)]. Synchrotron X-ray structures of [(eta(5)-C(5)Me(5))(2)Ir(2)B(16)H(17)Cl] and [(eta(5)-C(5)Me(5))(2)Ir(2)B(16)H(15)Cl].
• Authors of publication: Carr, Michael J.; Perera, Sarath D.; Jelínek, Tomás; Kilner, Colin A.; Clegg, William; Stíbr, Bohumil; Kennedy, John D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 44
• Pages of publication: 5221 - 5224
• a: 10.6181 ± 0.0018 Å
• b: 12.059 ± 0.002 Å
• c: 16.523 ± 0.003 Å
• α: 73.335 ± 0.003°
• β: 73.499 ± 0.003°
• γ: 72.36 ± 0.002°
• Cell volume: 1885.9 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0523
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.684 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No