Information card for entry 4346387

Structure parameters

• Formula: C54 H72 B F20 P6 Re
• Calculated formula: C54 H72 B F20 P6 Re
• SMILES: [Re]123([P](CC)(CC)CC[P]1(CC)CC)([P](CC)(CC)CC[P]2(CC)CC)[P](CC)(CC)CC[P]3(CC)CC.[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• 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: 10.5112 ± 0.0004 Å
• b: 15.3343 ± 0.0005 Å
• c: 18.9462 ± 0.0007 Å
• α: 84.663 ± 0.002°
• β: 80.836 ± 0.002°
• γ: 78.621 ± 0.002°
• Cell volume: 2949.56 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No