Information card for entry 7012425

Structure parameters

• Formula: C20 H13 Fe4 O11 Sb Te
• Calculated formula: C20 H13 Fe4 O11 Sb Te
• SMILES: [Sb]12([Fe]([Te]3[Fe]2(C#[O])(C#[O])C#[O])([Fe]13(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])[Fe]1234(C#[O])(C#[O])[c]5([cH]1[cH]2[cH]3[cH]45)C(C)(C)C
• 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: 9.0904 ± 0.0018 Å
• b: 16.776 ± 0.003 Å
• c: 17.831 ± 0.004 Å
• α: 90°
• β: 103.56 ± 0.03°
• γ: 90°
• Cell volume: 2643.4 ± 1 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No