Information card for entry 7012434

Structure parameters

• Formula: C28 H32 F6 N5 O4 P Zn2
• Calculated formula: C28 H32 F6 N5 O4 P Zn2
• Title of publication: Synthesis and structure of mononuclear and binuclear zinc(ii) compartmental macrocyclic complexes
• Authors of publication: Atkins, Andrew J.; Black, Daniel; Finn, Rachel L.; Marin-Becerra, Armando; Blake, Alexander J.; Ruiz-Ramirez, Lena; Li, Wan-Sheung; Schröder, Martin
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 9
• Pages of publication: 1730
• a: 15.736 ± 0.004 Å
• b: 12.177 ± 0.005 Å
• c: 16.237 ± 0.004 Å
• α: 90°
• β: 98.85 ± 0.02°
• γ: 90°
• Cell volume: 3074.2 ± 1.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No