Information card for entry 7057210

Structure parameters

• Formula: C13 H21 Cl Cu N3 O6 P
• Calculated formula: C13 H21 Cl Cu N3 O6 P
• 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: 8.088 ± 0.0004 Å
• b: 8.5326 ± 0.0005 Å
• c: 14.6161 ± 0.0008 Å
• α: 73.868 ± 0.002°
• β: 74.07 ± 0.002°
• γ: 69.458 ± 0.002°
• Cell volume: 889.62 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No