Information card for entry 4332935

Structure parameters

• Formula: C16 H36 Cu2 F12 N6 O4 P2
• Calculated formula: C16 H36 Cu2 F12 N6 O4 P2
• SMILES: [P](F)(F)(F)(F)(F)[F-].C1[NH]2CC[NH]3CC[NH]4[Cu]523[O](C(=O)C)[Cu]23([NH](C1)CC[NH]2CC[NH]3CC4)[O]5C(=O)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Cu2{[18]ane-N6} Complexes: Structures, Magnetism, and Phosphate Monoester Binding
• Authors of publication: Barker, Julia E.; Liu, Yu; Yee, Gordon T.; Chen, Wei-Zhong; Wang, Guangbin; Rivera, Vilma M.; Ren, Tong
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 19
• Pages of publication: 7973 - 7980
• a: 16.313 ± 0.0015 Å
• b: 9.8226 ± 0.0009 Å
• c: 9.3062 ± 0.0009 Å
• α: 90°
• β: 97.01 ± 0.002°
• γ: 90°
• Cell volume: 1480 ± 0.2 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No