Information card for entry 7201185

Structure parameters

• Formula: C20 H26 Cl5 Mn2 O5 S16
• Calculated formula: C20 H21 Cl5 Mn2 O5 S16
• Title of publication: A new hybrid molecular metal assembling a BEDT-TTF conducting network and the magnetic chain anion [Mn2Cl5(H2O)5]−∞: α-(BEDT-TTF)2[Mn2Cl5(H2O)5]
• Authors of publication: Zorina, Leokadiya V.; Prokhorova, Tat'yana G.; Khasanov, Salavat S.; Simonov, Sergey V.; Zverev, Vladimir N.; Korobenko, Alexey V.; Putrya, Anna V.; Mironov, Vladimir S.; Canadell, Enric; Shibaeva, Rimma P.; Yagubskii, Eduard B.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 10
• Pages of publication: 2102
• a: 78.612 ± 0.003 Å
• b: 10.6365 ± 0.0005 Å
• c: 9.6012 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8028.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No