Information card for entry 7014652

Structure parameters

• Formula: C20 H22 Co2 O4 Se4
• Calculated formula: C20 H22 Co2 O4 Se4
• SMILES: C1(=C[Se][Co]23456([Se]1[Co]1789%10([cH]%11[cH]9[cH]8[cH]7[cH]1%11)[Se]6C(=C[Se]%10)C(=O)OCC)[cH]1[cH]5[cH]4[cH]3[cH]21)C(=O)OCC
• Title of publication: Organometallic dithiolene complexes of the group 8-10 metals: Reactivities, structures and electrochemical behavior.
• Authors of publication: Nomura, Mitsushiro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 10
• Pages of publication: 2112 - 2140
• a: 8.7712 ± 0.0004 Å
• b: 8.1571 ± 0.0004 Å
• c: 16.3244 ± 0.0009 Å
• α: 90°
• β: 92.9843 ± 0.0009°
• γ: 90°
• Cell volume: 1166.39 ± 0.1 ų
• Cell temperature: 298.1 K
• Ambient diffraction temperature: 293 ± 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 significantly intense reflections: 0.0244
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No