Information card for entry 7047290

Structure parameters

• Formula: C14 H30 Cl2 N4 O7
• Calculated formula: C14 H30 Cl2 N4 O7
• Title of publication: Lanthanide(iii) complexes of monophosphinate/monophosphonate DOTA-analogues: effects of the substituents on the formation rate and radiolabelling yield.
• Authors of publication: Procházková, Soňa; Kubíček, Vojtěch; Kotek, Jan; Vágner, Adrienn; Notni, Johannes; Hermann, Petr
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 37
• Pages of publication: 13006 - 13015
• a: 9.743 ± 0.0004 Å
• b: 10.313 ± 0.0005 Å
• c: 21.734 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2183.82 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No