Information card for entry 7111284

Structure parameters

• Formula: C90.8 H111.2 Mn14 N11.4 O54.5
• Calculated formula: C90.8 H96 Mn14 N11.4 O54.5
• Title of publication: Octanuclearity and tetradecanuclearity in manganese chemistry: an octanuclear manganese(ii)/(iii) complex featuring the novel [Mn8(µ4- O)2(µ3-OH)2]14+ core and [Mn10IIMn4IIIO4(O2CMe)20{(2-py)2C(OH)O}4] (2-py = 2-pyridyl)
• Authors of publication: Milios, Constantinos J.; Kefalloniti, Elena; Raptopoulou, Catherine P.; Terzis, Aris; Vicente, Ramon; Lalioti, Nikolia; Escuer, Albert; Perlepes, Spyros P.
• Journal of publication: Chemical Communications
• Year of publication: 2003
• Journal issue: 7
• Pages of publication: 819
• a: 11.792 ± 0.006 Å
• b: 23.62 ± 0.01 Å
• c: 23.85 ± 0.01 Å
• α: 90°
• β: 96.3 ± 0.02°
• γ: 90°
• Cell volume: 6603 ± 5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• 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: 0.1335
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections: 0.1889
• Weighted residual factors for significantly intense reflections: 0.1564
• Goodness-of-fit parameter for all reflections: 1.042
• Goodness-of-fit parameter for significantly intense reflections: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No