Information card for entry 7703978

Structure parameters

• Formula: C21 H54 Cl2 N6 O29 Zn2
• Calculated formula: C21 H53.65 Cl2 N6 O29 Zn2
• Title of publication: Zinc and copper complexes with azacrown ethers and their comparative stability in vitro and in vivo.
• Authors of publication: Aleshin, Gleb Yu; Egorova, Bayirta V.; Priselkova, Anna B.; Zamurueva, Lyubov S.; Khabirova, Sofia Yu; Zubenko, Anastasia D.; Karnoukhova, Valentina A.; Fedorova, Olga A.; Kalmykov, Stepan N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 19
• Pages of publication: 6249 - 6258
• a: 8.0951 ± 0.0008 Å
• b: 19.3688 ± 0.0018 Å
• c: 26.478 ± 0.003 Å
• α: 90°
• β: 93.395 ± 0.002°
• γ: 90°
• Cell volume: 4144.3 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1036
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.132
• 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: Yes
• Has Fobs: No