Information card for entry 7124891

Structure parameters

• Formula: C29 H33 N3 O6 Zr
• Calculated formula: C29 H33 N3 O6 Zr
• Title of publication: Cytotoxic heteroleptic heptacoordinate salan zirconium(iv)-bis-chelates - synthesis, aqueous stability and X-ray structure analysis.
• Authors of publication: Schneider, Fabian; Zhao, Tiankun; Huhn, Thomas
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 66
• Pages of publication: 10151 - 10154
• a: 9.4729 ± 0.0014 Å
• b: 22.863 ± 0.005 Å
• c: 12.408 ± 0.002 Å
• α: 90°
• β: 93.774 ± 0.014°
• γ: 90°
• Cell volume: 2681.5 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0285
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.243
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No