Information card for entry 7009131

Structure parameters

• Formula: C52 H64 Mn N18 O8
• Calculated formula: C52 H64 Mn N18 O8
• Title of publication: 1-D mixed stack of coordinated and uncoordinated radicals in MnII(NITpPy)4[N(CN)2]2 (NITpPy = nitronyl nitroxide radical)
• Authors of publication: Dasna, Iwayan; Golhen, Stéphane; Ouahab, Lahcène; Peña, Octavio; Guillevic, Joseph; Fettouhi, Mohammed
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 2
• Pages of publication: 129
• a: 17.768 ± 0.007 Å
• b: 7.368 ± 0.004 Å
• c: 21.404 ± 0.008 Å
• α: 90°
• β: 92.78 ± 0.018°
• γ: 90°
• Cell volume: 2799 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.28
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No