Information card for entry 8000241

Structure parameters

• Formula: C32 H72 Br6 Ir N2
• Calculated formula: C32 H72 Br6 Ir N2
• Title of publication: Spin-Orbit Coupling Drives Femtosecond Nonadiabatic Dynamics in a Transition Metal Compound.
• Authors of publication: Carbery, William P.; Verma, Archana; Turner, Daniel B.
• Journal of publication: The journal of physical chemistry letters
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 6
• Pages of publication: 1315 - 1322
• a: 18.464 ± 0.003 Å
• b: 22.363 ± 0.003 Å
• c: 22.409 ± 0.003 Å
• α: 91.741 ± 0.002°
• β: 104.271 ± 0.003°
• γ: 106.193 ± 0.002°
• Cell volume: 8563 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1253
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No