Information card for entry 2311494

Structure parameters

• Chemical name: Bis(1<i>H</i>-benzo[<i>d</i>][1,2,3]triazole-κ<i>N</i>^2^){2,2'-[<i>N</i>-(phenylphosphorylmethyl-κ<i>O</i>)azanediyl]diacetato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}cobalt(II)‒1<i>H</i>-benzo[<i>d</i>][1,2,3]triazole (1/1)
• Formula: C29 H27 Co N10 O6 P
• Calculated formula: C29 H27 Co N10 O6 P
• SMILES: [Co]123(OC(=O)C[N]3(CP(=O)(O2)c2ccccc2)CC(O1)=[O])([n]1nc2ccccc2[nH]1)[n]1n[nH]c2ccccc12.n1n[nH]c2ccccc12
• Title of publication: Synthesis and crystal structure of bis-(1<i>H</i>-benzo[<i>d</i>][1,2,3]triazole-κ<i>N</i>²){2,2'-[<i>N</i>-(phenyl-phospho-r-yl-methyl-κ<i>O</i>)aza-nedi-yl]di-acetato-κ³<i>O</i>,<i>N</i>,<i>O</i>'}cobalt(II)-1<i>H</i>-benzo[<i>d</i>][1,2,3]triazole (1/1).
• Authors of publication: Du, Chao-Jun; Zhao, Xiao-Na
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 11
• Pages of publication: 1704 - 1707
• a: 7.5701 ± 0.0003 Å
• b: 14.1261 ± 0.0004 Å
• c: 14.9018 ± 0.0005 Å
• α: 97.351 ± 0.003°
• β: 102.335 ± 0.003°
• γ: 91.206 ± 0.003°
• Cell volume: 1542.03 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No