Information card for entry 7242433

Structure parameters

• Formula: C18 H21 Fe Mn N13 O2 S2
• Calculated formula: C18 H21 Fe Mn N13 O2 S2
• Title of publication: Cyano-bridged polynuclear coordination compounds derived from paramagnetic [Mn(H2daptsc)]2+ and photochromic [Fe(CN)5NO]2− building blocks
• Authors of publication: Sasnovskaya, Valentina D.; Zorina, Leokadiya V.; Simonov, Sergey V.; Talantsev, Artem D.; Mikhailov, Artem A.; Kostin, Gennadiy A.; Yagubskii, Eduard B.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 14
• Pages of publication: 2733 - 2745
• a: 10.98926 ± 0.00013 Å
• b: 15.42554 ± 0.00014 Å
• c: 16.6133 ± 0.0002 Å
• α: 90°
• β: 108.952 ± 0.0013°
• γ: 90°
• Cell volume: 2663.54 ± 0.06 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• 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: 0.0256
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No