Information card for entry 7706276

Structure parameters

• Formula: C30 H42 B F4 Mn2 N12 O6
• Calculated formula: C30 H42 B F4 Mn2 N12 O6
• Title of publication: Thermally-induced hysteretic valence tautomeric conversions in the solid state <i>via</i> two-step labile electron transfers in manganese-nitronyl nitroxide 2D-frameworks.
• Authors of publication: Lecourt, Constance; Izumi, Yuuta; Khrouz, Lhoussain; Toche, François; Chiriac, Rodica; Bélanger-Desmarais, Nicolas; Reber, Christian; Fabelo, Oscar; Inoue, Katsuya; Desroches, Cédric; Luneau, Dominique
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 44
• Pages of publication: 15646 - 15662
• a: 10.532 ± 0.002 Å
• b: 17.537 ± 0.004 Å
• c: 10.786 ± 0.002 Å
• α: 90°
• β: 93.607 ± 0.002°
• γ: 90°
• Cell volume: 1988.2 ± 0.7 ų
• Cell temperature: 252 ± 2 K
• Ambient diffraction temperature: 252 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0826
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No