Information card for entry 7007973

Structure parameters

• Formula: C20 H21 Br F6 N5 O P V
• Calculated formula: C20 H21 Br F6 N5 O P V
• SMILES: Br[V]123(=O)[N](Cc4[n]1cccc4)(Cc1[n]2cccc1)Cc1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].N#CC
• Title of publication: Mononuclear oxovanadium complexes of tris(2-pyridylmethyl)amine.
• Authors of publication: Tajika, Yasunobu; Tsuge, Kiyoshi; Sasaki, Yoichi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 8
• Pages of publication: 1438 - 1447
• a: 11.324 ± 0.002 Å
• b: 15.28 ± 0.003 Å
• c: 14.376 ± 0.003 Å
• α: 90°
• β: 99.061 ± 0.004°
• γ: 90°
• Cell volume: 2456.4 ± 0.8 ų
• Cell temperature: 223.2 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.618
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: Molybdenum
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No