Information card for entry 7211494

Structure parameters

• Formula: C54 H60 Cl2 Cu2 N12 O14
• Calculated formula: C54 H60 Cl2 Cu2 N12 O14
• Title of publication: A new approach towards ferromagnetic conducting materials based on TTF-containing polynuclear complexes
• Authors of publication: Kolotilov, Sergey V.; Cador, Olivier; Pointillart, Fabrice; Golhen, Stéphane; Le Gal, Yann; Gavrilenko, Konstantin S.; Ouahab, Lahcène
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2010
• Journal volume: 20
• Journal issue: 42
• Pages of publication: 9505
• a: 20.3545 ± 0.0004 Å
• b: 9.9403 ± 0.0002 Å
• c: 30.9701 ± 0.0009 Å
• α: 90°
• β: 105.089 ± 0.001°
• γ: 90°
• Cell volume: 6050.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.16
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.1938
• Weighted residual factors for all reflections included in the refinement: 0.2555
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No