Information card for entry 7220378

Structure parameters

• Formula: C84 H80 Mn5 N20 O17
• Calculated formula: C84 H80 Mn5 N20 O17
• Title of publication: The first photochromic bimetallic assemblies based on Mn(iii) and Mn(ii) Schiff-base (salpn, dapsc) complexes and pentacyanonitrosylferrate
• Authors of publication: Kopotkov, Vyacheslav A.; Sasnovskaya, Valentina D.; Korchagin, Denis V.; Morgunov, Roman B.; Aldoshin, Sergey M.; Simonov, Sergey V.; Zorina, Leokadiya V.; Schaniel, Dominik; Woike, Theo; Yagubskii, Eduard B.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 20
• Pages of publication: 3866
• a: 22.121 ± 0.002 Å
• b: 17.3201 ± 0.0005 Å
• c: 16.1353 ± 0.0015 Å
• α: 90°
• β: 135.236 ± 0.018°
• γ: 90°
• Cell volume: 4353.3 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1791
• Weighted residual factors for all reflections included in the refinement: 0.1894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No