Information card for entry 7012424

Structure parameters

• Formula: C20 H13 Fe4 O11 Sb Se
• Calculated formula: C20 H13 Fe4 O11 Sb Se
• SMILES: [Sb]12([Fe]34([Se]([Fe]13(C#[O])(C#[O])C#[O])[Fe]24(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])[Fe]1234([c]5([cH]1[cH]2[cH]3[cH]45)C(C)(C)C)(C#[O])C#[O]
• Title of publication: Reactions of [Fe3(µ3-Q)(CO)9]2‒ (Q = Se, Te) with organic and organometallic dihalides of group 15 elements ‒ an approach to functionalised clusters
• Authors of publication: Konchenko, Sergei N.; Pushkarevsky, Nikolai A.; Virovets, Alexander V.; Scheer, Manfred
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 4
• Pages of publication: 581
• a: 9.819 ± 0.002 Å
• b: 18.667 ± 0.005 Å
• c: 14.502 ± 0.003 Å
• α: 90°
• β: 93.85 ± 0.02°
• γ: 90°
• Cell volume: 2652.1 ± 1 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No