Information card for entry 7055151

Structure parameters

• Formula: C114 H82.55 B2 Cr2 Mn2 N26 O2.28
• Calculated formula: C113.726 H81.1768 B2 Cr2 Mn2 N26 O2.2744
• Title of publication: Cyanide-bridged heterobimetallic magnetic complexes based on metalloporphyrinate and tricyanometalate building blocks
• Authors of publication: Gao, Feng; Zhu, Guang-Zhou; Yang, Liu; Yao, Min-Xia
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 1
• Pages of publication: 365
• a: 19.758 ± 0.003 Å
• b: 12.4162 ± 0.0017 Å
• c: 22.828 ± 0.003 Å
• α: 90°
• β: 105.308 ± 0.002°
• γ: 90°
• Cell volume: 5401.5 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1737
• Weighted residual factors for all reflections included in the refinement: 0.1843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No