Information card for entry 4346396

Structure parameters

• Formula: C36 H53 Cl F12 P6 Re Sb2
• Calculated formula: C36 H53 Cl F12 P6 Re Sb2
• SMILES: [Re]123([P](C)(C)c4ccccc4[P]1(C)C)([P](C)(C)c1ccccc1[P]2(C)C)[P](C)(C)c1ccccc1[P]3(C)C.[Sb](F)(F)(F)(F)([F-])F.[Sb](F)(F)(F)(F)(F)[F-].Clc1ccccc1
• 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: 13.4084 ± 0.0004 Å
• b: 21.1279 ± 0.0006 Å
• c: 17.1012 ± 0.0006 Å
• α: 90°
• β: 104.33 ± 0.002°
• γ: 90°
• Cell volume: 4693.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No