Information card for entry 7015047

Structure parameters

• Formula: C11 H6 As2 Fe3 O9
• Calculated formula: C11 H6 As2 Fe3 O9
• SMILES: C([Fe]12([As]3(C)[Fe]41(C#[O])(C#[O])(C#[O])[As]2(C)[Fe]34(C#[O])(C#[O])C#[O])(C#[O])C#[O])#[O]
• Title of publication: Dimerization of pentanuclear clusters [Fe(3)Q(AsMe)(CO)(9)] (Q = Se, Te) as a conversion pathway to novel cubane-like aggregates.
• Authors of publication: Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Zabel, Manfred; Bodensteiner, Michael; Scheer, Manfred
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 9
• Pages of publication: 2067 - 2074
• a: 10.6982 ± 0.0004 Å
• b: 12.3724 ± 0.0004 Å
• c: 13.0665 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1729.51 ± 0.1 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0264
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.0521
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No