Information card for entry 7055900

Structure parameters

• Formula: C124 H114 Mn12 O47
• Calculated formula: C124 H108 Mn12 O47
• 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: 14.2129 ± 0.0008 Å
• b: 17.0556 ± 0.001 Å
• c: 26.872 ± 0.0015 Å
• α: 89.444 ± 0.005°
• β: 83.294 ± 0.004°
• γ: 82.777 ± 0.005°
• Cell volume: 6418 ± 0.6 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1903
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No