Information card for entry 4331647

Structure parameters

• Formula: C24 H18 Co2 Mo O2 Se4
• Calculated formula: C24 H18 Co2 Mo O2 Se4
• SMILES: [Mo]1234([Se]5[Co]67893([Se]1c1c5cccc1)[cH]1[cH]6[cH]7[cH]8[cH]91)([Se]1[Co]35674([Se]2c2c1cccc2)[cH]1[cH]3[cH]5[cH]6[cH]71)(C#[O])C#[O]
• Title of publication: Synthesis of Heterometal Cluster Complexes by the Reaction of Cobaltadichalcogenolato Complexes with Groups 6 and 8 Metal Carbonyls
• Authors of publication: Murata, Masaki; Habe, Satoru; Araki, Shingo; Namiki, Kosuke; Yamada, Teppei; Nakagawa, Norikiyo; Nankawa, Takuya; Nihei, Masayuki; Mizutani, Jun; Kurihara, Masato; Nishihara, Hiroshi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 3
• Pages of publication: 1108 - 1116
• a: 6.6624 ± 0.0007 Å
• b: 23.145 ± 0.002 Å
• c: 16.511 ± 0.002 Å
• α: 90°
• β: 102.433 ± 0.006°
• γ: 90°
• Cell volume: 2486.3 ± 0.5 ų
• Cell temperature: 120 ± 5 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.47
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No