Information card for entry 4346395

Structure parameters

• Formula: C90 H108 F18 P15 Re2
• Calculated formula: C90 H108 F18.04 P15 Re2
• Title of publication: Homoleptic Tris-Diphosphine Re(I) and Re(II) Complexes and Re(II) Photophysics and Photochemistry.
• Authors of publication: Adams, Jeramie J.; Arulsamy, Navamoney; Sullivan, B. Patrick; Roddick, Dean M.; Neuberger, Amelia; Schmehl, Russell H.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 23
• Pages of publication: 11136 - 11149
• a: 20.9641 ± 0.0006 Å
• b: 20.9641 ± 0.0006 Å
• c: 20.9641 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9213.6 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No