Information card for entry 4339210

Structure parameters

• Formula: C43 H31 Mn N9
• Calculated formula: C43 H31 Mn N9
• Title of publication: Low-coordinate transition-metal complexes of a carbon-substituted hemiporphyrazine.
• Authors of publication: Cetin, Anil; Durfee, William S.; Ziegler, Christopher J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 6239 - 6241
• a: 16.4993 ± 0.0015 Å
• b: 12.4912 ± 0.0011 Å
• c: 17.8396 ± 0.0016 Å
• α: 90°
• β: 110.685 ± 0.002°
• γ: 90°
• Cell volume: 3439.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0852
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1665
• Weighted residual factors for all reflections included in the refinement: 0.1806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No