Information card for entry 4328285

Structure parameters

• Formula: C5 H2.5 Co0.5 Fe0.5 O1.5 S
• Calculated formula: C4.954 H2.385 Co0.477 Fe0.523 O1.569 S
• Title of publication: Ir3Co6 and Co3Fe3 Dithiolene Cluster Complexes: Multiple Metal-Metal Bond Formation and Correlation between Structure and Internuclear Electronic Communication
• Authors of publication: Satoru Tsukada; Yusuke Shibata; Ryota Sakamoto; Tetsuya Kambe; Tomoji Ozeki; Hiroshi Nishihara
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 1228 - 1230
• a: 12.137 ± 0.005 Å
• b: 12.137 ± 0.005 Å
• c: 13.995 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 120 ± 0.005°
• Cell volume: 1785.4 ± 1.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 6
• Space group number: 188
• Hermann-Mauguin space group symbol: P -6 c 2
• Hall space group symbol: P -6c 2
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.2547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No