Information card for entry 7720304

Structure parameters

• Formula: C44 H52 Cl3 N O P Re
• Calculated formula: C44 H52 Cl3 N O P Re
• Title of publication: Electronic structure and magnetic properties of rhenium complexes with an iminoxolene ligand: experimental and computational studies.
• Authors of publication: Petrov, Pavel A.; Dmitriev, Alexey A.; Semikina, Anastasiia D.; Eltsov, Ilia V.; Sukhikh, Taisiya S.; Lavrov, Alexander N.; Gushchin, Artem L.; Sokolov, Maxim N.; Gritsan, Nina P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 3428 - 3441
• a: 11.432 ± 0.0002 Å
• b: 13.6478 ± 0.0003 Å
• c: 13.7555 ± 0.0003 Å
• α: 99.285 ± 0.001°
• β: 93.487 ± 0.001°
• γ: 96.541 ± 0.001°
• Cell volume: 2097.37 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No