Information card for entry 7034768

Structure parameters

• Formula: C66 H56 Cl6 Mn2 O12 P4
• Calculated formula: C66 H56 Cl6 Mn2 O12 P4
• 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: 9.107 ± 0.0003 Å
• b: 16.8245 ± 0.0004 Å
• c: 20.8814 ± 0.0009 Å
• α: 90°
• β: 96.361 ± 0.003°
• γ: 90°
• Cell volume: 3179.77 ± 0.19 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1085
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 0.857
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No