Information card for entry 4326451

Structure parameters

• Formula: C34 H26 Cl5 Cr N9
• Calculated formula: C34 H26 Cl5 Cr N9
• SMILES: Clc1c([N]2=Nc3[n](cccc3)[Cr]342([N](c2ccccc2Cl)=Nc2[n]3cccc2)[N](=Nc2cccc[n]42)c2ccccc2Cl)cccc1.ClCCl
• Title of publication: Isolation and Assessment of the Molecular and Electronic Structures of Azo-Anion-Radical Complexes of Chromium and Molybdenum. Experimental and Theoretical Characterization of Complete Electron-Transfer Series
• Authors of publication: Sucheta Joy; Tobias Krämer; Nanda D. Paul; Priyabrata Banerjee; John E. McGrady; Sreebrata Goswami
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 9993 - 10004
• a: 9.9804 ± 0.0006 Å
• b: 10.1877 ± 0.0007 Å
• c: 18.981 ± 0.0012 Å
• α: 79.088 ± 0.001°
• β: 78.451 ± 0.001°
• γ: 64.298 ± 0.001°
• Cell volume: 1692.27 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0512
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No