Information card for entry 4346389

Structure parameters

• Formula: C69 H54 B F20 P6 Re
• Calculated formula: C69 H54 B F20 P6 Re
• SMILES: [Re]123([P](C)(C)C[P]1(c1ccccc1)c1ccccc1)([P](C)(C)C[P]2(c1ccccc1)c1ccccc1)[P](C)(C)C[P]3(c1ccccc1)c1ccccc1.[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: 11.092 ± 0.0003 Å
• b: 33.3161 ± 0.001 Å
• c: 18.1664 ± 0.0005 Å
• α: 90°
• β: 106.266 ± 0.002°
• γ: 90°
• Cell volume: 6444.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No