Information card for entry 4346085

Structure parameters

• Formula: C168 H136 Cl12 Fe2 K2 O30 P2 S48
• Calculated formula: C168 H136 Cl12 Fe2 K2 O30 P2 S48
• Title of publication: Complete series of chiral paramagnetic molecular conductors based on tetramethyl-bis(ethylenedithio)-tetrathiafulvalene (TM-BEDT-TTF) and Chloranilate-bridged heterobimetallic honeycomb layers.
• Authors of publication: Atzori, Matteo; Pop, Flavia; Auban-Senzier, Pascale; Clérac, Rodolphe; Canadell, Enric; Mercuri, Maria Laura; Avarvari, Narcis
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 3643 - 3653
• a: 13.6292 ± 0.0014 Å
• b: 14.174 ± 0.002 Å
• c: 30.143 ± 0.008 Å
• α: 85.37 ± 0.015°
• β: 88.106 ± 0.01°
• γ: 63.346 ± 0.009°
• Cell volume: 5187.2 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1135
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.2114
• Weighted residual factors for all reflections included in the refinement: 0.2237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No