Information card for entry 7017456

Structure parameters

• Formula: C59 H55.5 Cl4 Mn2 N11.5 O20.5
• Calculated formula: C59 H54.5 Cl4 Mn2 N11.5 O20.5
• Title of publication: Metallo-macrocycles with labile coordination sites through self assembly: Binuclear phenyl bridged bisbipyridine manganese complexes.
• Authors of publication: Sham, Kiu-Chor; Zheng, Guoli; Li, Yinyan; Yiu, Shek-Man; Kwong, Hoi-Lun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12060 - 12062
• a: 31.027 ± 0.0007 Å
• b: 14.2965 ± 0.0002 Å
• c: 34.6803 ± 0.0012 Å
• α: 90°
• β: 115.676 ± 0.003°
• γ: 90°
• Cell volume: 13864.4 ± 0.7 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0966
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.2443
• Weighted residual factors for all reflections included in the refinement: 0.2661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No