Information card for entry 4330610

Structure parameters

• Formula: C12 H10 Co I S2
• Calculated formula: C12 H10 Co I S2
• SMILES: I[Co]12345([S]=C6C(S1)=CC=CC=C6)[cH]1[cH]2[cH]3[cH]4[cH]51
• Title of publication: Synthesis and Electrochemistry of Organometallic Cobaltadithiaazulenes
• Authors of publication: Mitsushiro Nomura; Fumiaki Imamura; Nguyen Ba Tuyet Nga; Chikako Fujita-Takayama; Toru Sugiyama; Masatsugu Kajitani
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10695 - 10703
• a: 8.005 ± 0.002 Å
• b: 12.947 ± 0.003 Å
• c: 13.814 ± 0.004 Å
• α: 73.162 ± 0.011°
• β: 75.546 ± 0.011°
• γ: 73.341 ± 0.011°
• Cell volume: 1291 ± 0.6 ų
• Cell temperature: 298.1 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No