Information card for entry 7231566

Structure parameters

• Formula: C36 H26 Cl4 Mn2 N7 O13
• Calculated formula: C36 H26 Cl4 Mn2 N7 O13
• Title of publication: Indirect effect of hydrogen bonds on the magnetic coupling on Mn(iii) dinuclear compounds
• Authors of publication: Pagès, J. M.; Escriche-Tur, L.; Font-Bardia, M.; Aullón, G.; Corbella, M.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 41
• Pages of publication: 6629
• a: 18.6545 ± 0.0012 Å
• b: 14.0357 ± 0.0008 Å
• c: 15.6154 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4088.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1856
• Weighted residual factors for all reflections included in the refinement: 0.1907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No