Information card for entry 4314150

Structure parameters

• Formula: C30 H44 Cu F24 N12 Ni O2 P4
• Calculated formula: C30 H44 Cu F24 N12 Ni O2 P4
• SMILES: [Cu]123[N]4CC[N]1=CC1=CNCCCNC=C5C=[N]6[Ni]78[N](CC[N]7=CC(C=[N]8CC6)=CNCCCNC=C(C=4)C=[N]3CC[N]2=C1)=C5.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O.O
• Title of publication: Intermetallic Interactions in Face-to-Face Homo- and Heterodinuclear Bismacrocyclic Complexes of Copper(II) and Nickel(II)
• Authors of publication: Agnieszka Więckowska; Renata Bilewicz; Sławomir Domagała; Krzysztof Woźniak; Bohdan Korybut-Daszkiewicz; Alina Tomkiewicz; Jerzy Mroziński
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5513 - 5522
• a: 14.218 ± 0.003 Å
• b: 18.236 ± 0.004 Å
• c: 18.38 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4765.6 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1851
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.2033
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No