Information card for entry 4319438

Structure parameters

• Formula: C32 H54 Br Cu2 F18 N8 P3
• Calculated formula: C32 H54 Br Cu2 F18 N8 P3
• SMILES: C1(C)=[N]2CC[NH]3[Cu]452[N](=C(C1Cc1c(CC2C(C)=[N]6CC[NH]7CCC[NH]8CC[N](=C2C)[Cu]678[Br]5)cccc1)C)CC[NH]4CCC3.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Electron/Atom Transfer in Halo-Bridged Homobimetallic Complexes. Structure and Donor-Acceptor Properties of Face-to-Face Dicopper Complexes with Teraazamacrocyclic Ligands
• Authors of publication: Manawadevi Y. Udugala-Ganehenege; Mary Jane Heeg; Lew M. Hryhorczuk; Lowell E. Wenger; John F. Endicott
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1614 - 1625
• a: 12.6584 ± 0.0005 Å
• b: 12.6584 ± 0.0005 Å
• c: 28.6483 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4590.5 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.1303
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections: 0.1713
• Weighted residual factors for significantly intense reflections: 0.1469
• Goodness-of-fit parameter for all reflections: 1.025
• Goodness-of-fit parameter for significantly intense reflections: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No