Information card for entry 4503081

Structure parameters

• Formula: C100 H80.8 Cd2 Cl0.24 N6 S8
• Calculated formula: C100 H80.8 Cd2 Cl0.24 N6 S8
• Title of publication: Supramolecular Approach to the Synthesis of [60]Fullerene−Metal Dithiocarbamate Complexes, {(MII(R2dtc)2)x·L}·C60(M = Zn, Cd, Hg, Fe, and Mn;x= 1 and 2). The Study of Magnetic Properties and Photoconductivity
• Authors of publication: Konarev, Dmitri V.; Khasanov, Salavat S.; Kovalevsky, Andrey Yu.; Lopatin, Dmitri V.; Rodaev, Vyacheslav V.; Saito, Gunzi; Náfrádi, Bálint; Forró, László; Lyubovskaya, Rimma N.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 1161
• a: 11.7155 ± 0.0003 Å
• b: 16.5374 ± 0.0004 Å
• c: 42.09 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8154.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No