Information card for entry 1513341

Structure parameters

• Formula: C18 H43 Cl2 Ir P2
• Calculated formula: C18 H43 Cl2 Ir P2
• Title of publication: Experimental Characterization of the Hydride (1)H Shielding Tensors for HIrX2(PR3)2 and HRhCl2(PR3)2: Extremely Shielded Hydride Protons with Unusually Large Magnetic Shielding Anisotropies.
• Authors of publication: Garbacz, Piotr; Terskikh, Victor V.; Ferguson, Michael J.; Bernard, Guy M.; Kędziorek, Mariusz; Wasylishen, Roderick E.
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2014
• Journal volume: 118
• Journal issue: 7
• Pages of publication: 1203 - 1212
• a: 8.0646 ± 0.0004 Å
• b: 8.9616 ± 0.0004 Å
• c: 16.2738 ± 0.0008 Å
• α: 90°
• β: 92.672 ± 0.001°
• γ: 90°
• Cell volume: 1174.86 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0152
• Residual factor for significantly intense reflections: 0.0135
• Weighted residual factors for significantly intense reflections: 0.0318
• Weighted residual factors for all reflections included in the refinement: 0.0327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No