Information card for entry 4327052

Structure parameters

• Formula: C24 H20 N6 V
• Calculated formula: C24 H20 N6 V
• SMILES: [V]1234([n]5ccccc5C=N1=Cc1[n]2cccc1)[n]1ccccc1C=N3=Cc1[n]4cccc1
• Title of publication: Synthesis and Characterization of (smif)2Mn (n= 0, M = V, Cr, Mn, Fe, Co, Ni, Ru; n= +1, M = Cr, Mn, Co, Rh, Ir; smif =1,3-di-(2-pyridyl)-2-azaallyl)
• Authors of publication: Brenda A. Frazier; Erika R. Bartholomew; Peter T. Wolczanski; Serena DeBeer; Mitkél Santiago-Berrios; Hector D. Abruña; Emil B. Lobkovsky; Suzanne C. Bart; Susanne Mossin; Karsten Meyer; Thomas R. Cundari
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12414 - 12436
• a: 8.94 ± 0.006 Å
• b: 14.245 ± 0.009 Å
• c: 17.526 ± 0.009 Å
• α: 94.41 ± 0.05°
• β: 98.06 ± 0.05°
• γ: 96.16 ± 0.04°
• Cell volume: 2188 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.05
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.9789 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No