Information card for entry 7212965

Structure parameters

• Formula: C36 H35 Cu F8 N14 O1.5
• Calculated formula: C36 H33 Cu F8 N14 O2.5
• SMILES: [Cu]1234([NH]5CC[NH]4CC[NH]1CC5)[NH]1CC[NH]2CC[NH]3CC1.FC1=C(F)C(C(F)=C(F)C1=C(C#N)C#N)=C(C#N)C#N.FC1=C(F)C(=C(C#N)C#N)C(F)=C(F)C1=C(C#N)C#N.CO
• Title of publication: Structural, magnetic, electrical and optical characterization of systems built from [M([9]aneN3)2]2+ (M=CuII or NiII) and TCNQ or TCNQF4
• Authors of publication: Azcondo, M. Teresa; Ballester, Loreto; Golhen, Stephane; Gutierrez, Angel; Ouahab, Lahcene; Yartsev, Slav; Delhaes, Pierre
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 1999
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 1237
• a: 15.476 ± 0.005 Å
• b: 16.146 ± 0.004 Å
• c: 16.441 ± 0.004 Å
• α: 77.15 ± 0.02°
• β: 78.04 ± 0.03°
• γ: 85.43 ± 0.03°
• Cell volume: 3915.9 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1726
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections: 0.1384
• Weighted residual factors for significantly intense reflections: 0.1039
• Goodness-of-fit parameter for all reflections: 1.03
• Goodness-of-fit parameter for significantly intense reflections: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No