Information card for entry 4067347

Structure parameters

• Formula: C66 H74 Mn2 N6 O10 Si2 Zr
• Calculated formula: C66 H74 Mn2 N6 O10 Si2 Zr
• SMILES: C1([Mn](C#[O])(C#[O])(C#[O])(C#[O])[Mn](C#[O])(C#[O])(C#[O])(C#[O])C#[O])N(N(c2ccccc2)c2ccccc2)[Zr]23(N(CC(CN2[Si](C)(C)C(C)(C)C)(C)c2cccc[n]32)[Si](C)(C(C)(C)C)C)([n]2ccccc2)[O]=1.c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Bridging N-Aminoisocyanate Ligands in Heterobimetallic Complexes: Coupling of Zirconium Hydrazinediides and Transition-Metal Carbonyls
• Authors of publication: Gehrmann, Thorsten; Lloret Fillol, Julio; Wadepohl, Hubert; Gade, Lutz H.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 1
• Pages of publication: 28
• a: 13.124 ± 0.006 Å
• b: 24.356 ± 0.012 Å
• c: 21.617 ± 0.01 Å
• α: 90°
• β: 104.472 ± 0.012°
• γ: 90°
• Cell volume: 6691 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0546
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No