Information card for entry 7055901

Structure parameters

• Formula: C100 H52 Cl40 Mn12 O52
• Calculated formula: C100 H52 Cl40 Mn12 O52
• Title of publication: A perylene complex with a one-dimensional coordination polymer containing [Mn6O2(CHCl2COO)10(H2O)2] cluster units linked by 3,10-perylenequinone bridges
• Authors of publication: Kushch, Lyudmila A.; Kazakova, Anna V.; Mironova, Svetlana A.; Yagubskii, Eduard B.; Simonov, Sergey V.; Zorina, Leokadiya V.; Shibaeva, Rimma P.; Sadakov, Andrey V.; Mironov, Vladimir S.
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 2
• Pages of publication: 793
• a: 19.829 ± 0.0018 Å
• b: 23.556 ± 0.004 Å
• c: 23.62 ± 0.002 Å
• α: 109.625 ± 0.003°
• β: 111.342 ± 0.002°
• γ: 98.625 ± 0.003°
• Cell volume: 9202 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3007
• Residual factor for significantly intense reflections: 0.0961
• Weighted residual factors for significantly intense reflections: 0.1816
• Weighted residual factors for all reflections included in the refinement: 0.2168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No