Information card for entry 4303104

Structure parameters

• Common name: [ReOCl(L25pa)].H2O
• Chemical name: Chloro(2-methylamino)phenolato)(2-methylcarboxylphenolato)(phenyl) phosphine)oxorhenium(V)
• Formula: C27 H22 Cl N O5 P Re
• Calculated formula: C27 H22 Cl N O5 P Re
• 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: 9.002 ± 0.001 Å
• b: 18.317 ± 0.001 Å
• c: 16.182 ± 0.001 Å
• α: 90°
• β: 105.66 ± 0.01°
• γ: 90°
• Cell volume: 2569.2 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No