Information card for entry 7036668

Structure parameters

• Formula: C109 H89 B2 F48 Ir4 N14 O
• Calculated formula: C109 H89 B2 F48 Ir4 N14 O
• Title of publication: Gel-assisted crystallization of [Ir4(IMe)7(CO)H10](2+) and [Ir4(IMe)8H9](3+) clusters derived from catalytic glycerol dehydrogenation.
• Authors of publication: Sharninghausen, Liam S.; Mercado, Brandon Q.; Crabtree, Robert H.; Balcells, David; Campos, Jesús
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 42
• Pages of publication: 18403 - 18410
• a: 14.6752 ± 0.0003 Å
• b: 20.0841 ± 0.0005 Å
• c: 22.7318 ± 0.0016 Å
• α: 91.664 ± 0.007°
• β: 107.958 ± 0.008°
• γ: 106.8 ± 0.007°
• Cell volume: 6049.9 ± 0.6 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0762
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No