Information card for entry 7012423

Structure parameters

• Formula: C19 H15 Fe3 O9 Sb Te
• Calculated formula: C19 H15 Fe3 O9 Sb Te
• SMILES: [Sb]12([Fe]34([Te]([Fe]13(C#[O])(C#[O])C#[O])[Fe]24(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])C1(C(=C(C(=C1C)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: 9.872 ± 0.002 Å
• b: 36.208 ± 0.007 Å
• c: 14.072 ± 0.003 Å
• α: 90°
• β: 102.73 ± 0.03°
• γ: 90°
• Cell volume: 4906.3 ± 1.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0394
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No