Information card for entry 7710421

Structure parameters

• Formula: C13 H45 N4 O14 P3
• Calculated formula: C13 H41 N4 O14 P3
• Title of publication: Cyclam with a phosphinate-bis(phosphonate) pendant arm is a bone-targeting carrier of copper radionuclides.
• Authors of publication: Pazderová, Lucia; Benešová, Martina; Havlíčková, Jana; Vojtíčková, Margareta; Kotek, Jan; Lubal, Přemysl; Ullrich, Martin; Walther, Martin; Schulze, Sabine; Neuber, Christin; Rammelt, Stefan; Pietzsch, Hans-Jürgen; Pietzsch, Jens; Kubíček, Vojtěch; Hermann, Petr
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 24
• Pages of publication: 9541 - 9555
• a: 13.2069 ± 0.0004 Å
• b: 16.4828 ± 0.0006 Å
• c: 22.8799 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4980.6 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No