Information card for entry 7057203

Structure parameters

• Formula: C14 H27 Cl Cu Li N3 O9 P2
• Calculated formula: C14 H27 Cl Cu Li N3 O9 P2
• Title of publication: Complexes of phosphonate and phosphinate derivatives of dipicolylamine
• Authors of publication: Hlinová, Veronika; Jaroš, Adam; David, Tomáš; Císařová, Ivana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 10
• Pages of publication: 7713
• a: 8.2892 ± 0.0004 Å
• b: 8.6425 ± 0.0004 Å
• c: 16.9266 ± 0.0008 Å
• α: 80.3194 ± 0.0017°
• β: 83.4676 ± 0.0017°
• γ: 67.5168 ± 0.0015°
• Cell volume: 1102.86 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No