Information card for entry 4328680

Structure parameters

• Formula: C30 H22 Cr N6
• Calculated formula: C30 H22 Cr N6
• SMILES: [Cr]1234([n]5ccccc5c5cccc([n]15)c1cccc[n]21)[n]1ccccc1c1cccc([n]31)c1cccc[n]41
• Title of publication: Experimental Fingerprints for Redox-Active Terpyridine in [Cr(tpy)2](PF6)n (n = 3-0), and the Remarkable Electronic Structure of [Cr(tpy)2]1-
• Authors of publication: Christopher C. Scarborough; Kyle M. Lancaster; Serena DeBeer; Thomas Weyhermüller; Stephen Sproules; Karl Wieghardt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 3718 - 3732
• a: 39.443 ± 0.005 Å
• b: 56.271 ± 0.007 Å
• c: 8.3473 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18527 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No