Information card for entry 7034767

Structure parameters

• Formula: C66 H56 F6 Mn2 O12 P4
• Calculated formula: C66 H56 F6 Mn2 O12 P4
• SMILES: [O]#C[Mn]1(C#[O])([p]2c(c(c(c3ccc(cc3)F)p2[Mn]([p]2c(c(c(c3ccc(cc3)F)p12)c1ccc(F)cc1)c1ccc(F)cc1)(C#[O])(C#[O])(C#[O])C#[O])c1ccc(F)cc1)c1ccc(F)cc1)(C#[O])C#[O].O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Synthesis and magnetic properties of manganese carbonyl complexes with different coordination modes of 3,4,5-triaryl-1,2-diphospholide ligands.
• Authors of publication: Miluykov, Vasili A.; Bezkishko, Ilya A.; Kochetkova, Liliya R.; Kataeva, Olga N.; Gerasimova, Tatiana P.; Katsyuba, Sergey A.; Sinyashin, Oleg G.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Parameswaran, Anupama; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 22
• Pages of publication: 10259 - 10266
• a: 9.1803 ± 0.0003 Å
• b: 11.6422 ± 0.0005 Å
• c: 15.718 ± 0.0006 Å
• α: 73.389 ± 0.004°
• β: 79.589 ± 0.003°
• γ: 81.9 ± 0.003°
• Cell volume: 1576.2 ± 0.11 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0985
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.83
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No