Information card for entry 1517763

Structure parameters

• Formula: C28 H19 N O5 P Re
• Calculated formula: C28 H19 N O5 P Re
• SMILES: [Re]12([O]=P(c3c([N]2=Cc2c(O1)cccc2)cccc3)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Monoanionic salicylaldimine ligands with (thio)phosphoryl pendant arms: Synthesis and complexing features
• Authors of publication: Diana V. Aleksanyan; Valentina Yu. Aleksenko; Yulia V. Nelyubina; Andrei A. Vasil-ev; Rinat R. Aysin; Zinaida S. Klemenkova; Vladimir A. Kozlov; Pavel V. Petrovskii; Irina L. Odinets
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 404
• Pages of publication: 167 - 174
• a: 9.0915 ± 0.0003 Å
• b: 14.2722 ± 0.0004 Å
• c: 18.4424 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2393.01 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0188
• Residual factor for significantly intense reflections: 0.0175
• Weighted residual factors for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections included in the refinement: 0.0367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No