Information card for entry 4503083

Structure parameters

• Formula: C80 H40 Hg2 N4 S8
• Calculated formula: C80 H40 Hg2 N4 S8
• SMILES: C1(N(CC)CC)=[S][Hg]2(S1)[S]=C(N(CC)CC)S[Hg]1([S]=C(N(CC)CC)S1)[S]=C(N(CC)CC)S2.c12c3c4c5c6c7c8c5c5c9c4c4c3c3c%10c%11c%12c%13c%14c%15c%12c%12c%10c4c4c9c9c5c5c8c8c%10c5c5c9c(c%124)c%15c5c4c%14c5c(c%104)c4c8c7c7c4c4c5c%13c5c4c(c7c26)c1c3c%115
• 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: 16.1521 ± 0.0005 Å
• b: 16.9573 ± 0.0004 Å
• c: 10.556 ± 0.0003 Å
• α: 90°
• β: 99.733 ± 0.001°
• γ: 90°
• Cell volume: 2849.63 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No