Information card for entry 7101110

Structure parameters

• Formula: C31 H22 N2 O5 P Re
• Calculated formula: C31 H22 N2 O5 P Re
• SMILES: [Re]12([P](C=C(C(=O)OC)C3N1c1c(C=C3)ccc3c1[n]2ccc3)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Activation of a 1,10-phenanthroline ligand on a rhenium tricarbonyl complex
• Authors of publication: Cuesta, Luciano; Hevia, Eva; Morales, Dolores; Pérez, Julio; Riera, Víctor; Rodríguez, Elena; Miguel, Daniel
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2005
• Journal issue: 1
• Pages of publication: 116 - 117
• a: 9.844 ± 0.003 Å
• b: 11.3 ± 0.004 Å
• c: 13.009 ± 0.005 Å
• α: 86.592 ± 0.007°
• β: 71.976 ± 0.006°
• γ: 82.823 ± 0.007°
• Cell volume: 1365 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0371
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No