Information card for entry 4303103

Structure parameters

• Common name: [ReO(HL2)].THF
• Chemical name: (2-methylamino)phenolato)(2-methylimino)phenolato)(phenyl) phosphine)oxorhenium(V)
• Formula: C36 H34 Cl0 N2 O4 P Re
• Calculated formula: C36 H34 N2 O4 P Re
• SMILES: [Re]1234(=O)[P](c5ccccc5C[NH]1c1ccccc1O2)(c1ccccc1CN3c1ccccc1O4)c1ccccc1.O1CCCC1
• Title of publication: Rhenium(V) Complexes with Pentadentate P,N,O Ligands
• Authors of publication: Ali Barandov; Ulrich Abram
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 8072 - 8074
• a: 28.044 ± 0.002 Å
• b: 12.945 ± 0.001 Å
• c: 16.749 ± 0.002 Å
• α: 90°
• β: 90.42 ± 0.01°
• γ: 90°
• Cell volume: 6080.2 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1092
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No