Information card for entry 2205348

Structure parameters

• Chemical name: Chloro[N,N'-dimethyl-N,N'-bis(2-pyridylmethyl)ethane-1,2-diamine] oxovanadium(IV) perchlorate
• Formula: C16 H22 Cl2 N4 O5 V
• Calculated formula: C16 H22 Cl2 N4 O5 V
• SMILES: [V]123(Cl)(=O)[n]4ccccc4C[N]2(C)CC[N]3(C)Cc2[n]1cccc2.Cl(=O)(=O)(=O)[O-]
• Title of publication: Chloro[<i>N</i>,<i>N</i>'-dimethyl-<i>N</i>,<i>N</i>'-bis(2-pyridylmethyl)ethane-1,2-diamine]oxovanadium(IV) perchlorate
• Authors of publication: Egdal, Rune Kirk; Bond, Andrew D.; McKenzie, Christine J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m412 - m413
• a: 13.3031 ± 0.0006 Å
• b: 8.9874 ± 0.0004 Å
• c: 17.7551 ± 0.0009 Å
• α: 90°
• β: 106.408 ± 0.001°
• γ: 90°
• Cell volume: 2036.35 ± 0.17 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes