Information card for entry 4328556

Structure parameters

• Formula: C36.66 H31.16 Cl0.48 F12 Mn N2 O6
• Calculated formula: C36.66 H31.16 Cl0.48 F12 Mn N2 O6
• Title of publication: Magnetic Mn and Co Complexes with a Large Polycyclic Aromatic Substituted Nitronylnitroxide
• Authors of publication: Maria G. F. Vaz; Rafael A. Allão; Handan Akpinar; John A. Schlueter; Sauli Santos; Paul M. Lahti; Miguel A. Novak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 3138 - 3145
• a: 11.3999 ± 0.0017 Å
• b: 13.8208 ± 0.0019 Å
• c: 25.309 ± 0.004 Å
• α: 90°
• β: 99.904 ± 0.002°
• γ: 90°
• Cell volume: 3928.2 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.127
• Residual factor for significantly intense reflections: 0.1009
• Weighted residual factors for significantly intense reflections: 0.2339
• Weighted residual factors for all reflections included in the refinement: 0.2458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.942
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No