Information card for entry 2201660

Structure parameters

• Common name: Re(phen)(CO)3Cl
• Chemical name: Fac-tricarbonylchloro(1,10-phenanthroline)rhenium(I)
• Formula: C15 H8 Cl N2 O3 Re
• Calculated formula: C15 H8 Cl N2 O3 Re
• SMILES: [Re]1(Cl)([n]2cccc3c2c2c(ccc[n]12)cc3)(C#[O])(C#[O])C#[O]
• Title of publication: <i>fac</i>-Tricarbonylchloro(1,10-phenanthroline)rhenium(I)
• Authors of publication: Haddad, Salim F.; Marshall, Jason A.; Crosby, G.A.; Twamley, Brendan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: m559 - m561
• a: 6.4536 ± 0.0014 Å
• b: 9.132 ± 0.002 Å
• c: 12.841 ± 0.003 Å
• α: 108.264 ± 0.003°
• β: 95.935 ± 0.003°
• γ: 91.44 ± 0.003°
• Cell volume: 713.5 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes