Information card for entry 7104179

Structure parameters

• Formula: C29 H55 Fe N4 Nd O2 Si3
• Calculated formula: C29 H55 Fe N4 Nd O2 Si3
• SMILES: [Nd]1(N(CCN2C=1N(C=C2[Si](C)(C)C)C(C)(C)C)C(C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)[Fe]1234(C#[O])(C#[O])[cH]5[cH]4[cH]3[cH]2[cH]15
• Title of publication: An unsupported transition metal‒lanthanide bond; synthesis and crystal structure of an Nd‒Fe amido N-heterocyclic carbene complex.
• Authors of publication: Arnold, Polly L; McMaster, Jonathan; Liddle, Stephen T
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 818 - 820
• a: 11.134 ± 0.0009 Å
• b: 11.7943 ± 0.0009 Å
• c: 15.6599 ± 0.0012 Å
• α: 94.396 ± 0.002°
• β: 107.987 ± 0.002°
• γ: 100.847 ± 0.002°
• Cell volume: 1900.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0431
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No