Information card for entry 4076810

Structure parameters

• Formula: C36 H34 Cr Fe2 Nb O11 Te2
• Calculated formula: C36 H34 Cr Fe2 Nb O11 Te2
• SMILES: [Te]123([Te]4([Nb]56789%10%11%121([c]1([cH]5[cH]6[cH]7[cH]81)C(C)(C)C)[c]1([cH]9[cH]%10[cH]%11[cH]%121)C(C)(C)C)[Fe]2([Fe]34(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])[Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O].c1(ccccc1)C
• Title of publication: Rotational versus Migration Isomerism in [{(tBuC5H4)2NbH(μ3-Te)(μ4-Te)Fe2(CO)6}·Cr(CO)5], a Sterically Crowded Polymetallic Telluride Complex
• Authors of publication: Brandl, Martin; Brunner, Henri; Wachter, Joachim; Zabel, Manfred
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 14
• Pages of publication: 3069
• a: 11.9395 ± 0.0011 Å
• b: 12.1697 ± 0.0011 Å
• c: 16.2833 ± 0.0014 Å
• α: 81.17 ± 0.01°
• β: 72.634 ± 0.01°
• γ: 62.643 ± 0.009°
• Cell volume: 2005.2 ± 0.4 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0582
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No