Information card for entry 2204712

Structure parameters

• Common name: [cis-Re(CO)~2~(PPh~3~)(dpkO,OH)].0.5dmso
• Chemical name: cis-Tris(carbonyl-κC)(triphenylphosphine-κP)[hydroxytris(2-pyridyl) methanolato-κ^3^N,O,N']rhenium(I)] dimethyl sulfoxide hemisolvate
• Formula: C32 H27 N2 O4.5 P Re S0.5
• Calculated formula: C32 H27 N2 O4.5 P Re S0.5
• Title of publication: <i>cis</i>-Dicarbonyl(hydroxydi-2-pyridylmethanolato-κ^3^<i>N</i>,<i>O</i>,<i>N</i>')(triphenylphosphine-κ<i>P</i>)rhenium(I) dimethyl sulfoxide hemisolvate
• Authors of publication: Bakir, Mohammed; Hassan, Ishmael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m1966 - m1969
• a: 17.336 ± 0.002 Å
• b: 16.587 ± 0.0019 Å
• c: 21.125 ± 0.003 Å
• α: 90°
• β: 91.127 ± 0.01°
• γ: 90°
• Cell volume: 6073.4 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes