Information card for entry 7026661

Structure parameters

• Formula: C30 H30 N6 O5 P V
• Calculated formula: C30 H30 N6 O5 P V
• SMILES: [V]12(=O)(=O)[n]3c(N(O1)C)nc(N(O)C)nc3N(O2)C.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Tris-(hydroxyamino)triazines: high-affinity chelating tridentate O,N,O-hydroxylamine ligand for the cis-V(V)O2(+) cation.
• Authors of publication: Nikolakis, Vladimiros A.; Exarchou, Vassiliki; Jakusch, Tamás; Woolins, J. Derek; Slawin, Alexandra M. Z.; Kiss, Tamás; Kabanos, Themistoklis A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 38
• Pages of publication: 9032 - 9038
• a: 11.786 ± 0.003 Å
• b: 28.251 ± 0.008 Å
• c: 8.879 ± 0.003 Å
• α: 90°
• β: 98.304 ± 0.005°
• γ: 90°
• Cell volume: 2925.4 ± 1.5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.1043
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.175
• Weighted residual factors for all reflections included in the refinement: 0.1919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No