Information card for entry 7720303

Structure parameters

• Formula: C68 H76 Cl3 N O2 P Re
• Calculated formula: C68 H76 Cl3 N O2 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: 11.5787 ± 0.0003 Å
• b: 11.9253 ± 0.0003 Å
• c: 23.4028 ± 0.0006 Å
• α: 79.96 ± 0.001°
• β: 83.967 ± 0.001°
• γ: 79.271 ± 0.001°
• Cell volume: 3117.51 ± 0.14 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: 0.0309
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.0495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No