Information card for entry 7057209

Structure parameters

• Formula: C26 H33 Cl3 Cu2 N6 O7 P2
• Calculated formula: C26 H33 Cl3 Cu2 N6 O7 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: 8.3721 ± 0.0002 Å
• b: 22.6005 ± 0.0006 Å
• c: 17.3031 ± 0.0006 Å
• α: 90°
• β: 97.159 ± 0.002°
• γ: 90°
• Cell volume: 3248.46 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No