Information card for entry 7233393

Structure parameters

• Chemical name: bis-?-Diethyl-(1-(tert-butyl(1-(pyrazin-2-yl)ethoxy)amino)-2,2- dimethylpropyl)phosphonate-1k2N1Pyr,OP=O:2k2N1'Pyr,O'P=O:3k2N4Pyr,N4'Pyr- hexakis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato- 2O,O )trizinc(II)
• Formula: C68 H78 F36 N6 O20 P2 Zn3
• Calculated formula: C68 H78 F36 N6 O20 P2 Zn3
• Title of publication: How intramolecular coordination bonding (ICB) controls the homolysis of the C‒ON bond in alkoxyamines
• Authors of publication: Audran, Gérard; Bagryanskaya, Elena; Bagryanskaya, Irina; Edeleva, Mariya; Joly, Jean-Patrick; Marque, Sylvain R. A.; Iurchenkova, Anna; Kaletina, Polina; Cherkasov, Sergey; Hai, Tung To; Tretyakov, Evgeny; Zhivetyeva, Svetlana
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 44
• Pages of publication: 25776
• a: 15.4251 ± 0.0006 Å
• b: 17.7197 ± 0.0007 Å
• c: 19.8153 ± 0.0007 Å
• α: 86.523 ± 0.002°
• β: 70.362 ± 0.001°
• γ: 67.35 ± 0.001°
• Cell volume: 4692.9 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No