Information card for entry 7008114

Structure parameters

• Formula: C38 H33 Br3 N P2 Re
• Calculated formula: C38 H33 Br3 N P2 Re
• SMILES: [Re](Br)(Br)(Br)([N]#CC)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Preparation and characterization of diarylphosphazene and diarylphosphinohydrazide complexes of titanium, tungsten and ruthenium and phosphorylketimido complexes of rhenium.
• Authors of publication: Cowley, Andrew R.; Dilworth, Jonathan R.; Nairn, Alison K.; Robbie, Alasdair J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 4
• Pages of publication: 680 - 693
• a: 10.2052 ± 0.0002 Å
• b: 15.3009 ± 0.0003 Å
• c: 23.142 ± 0.0004 Å
• α: 90°
• β: 91.8367 ± 0.0007°
• γ: 90°
• Cell volume: 3611.74 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0671
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for all reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No