Information card for entry 7004479

Structure parameters

• Formula: C46 H64 N6 Si2 Zr
• Calculated formula: C46 H64 N6 Si2 Zr
• SMILES: C1C2(CN([Si](C)(C)C(C)(C)C)[Zr](C#Cc3ccccc3)(N1[Si](C)(C)C(C)(C)C)([n]1c2cccc1)(N=n1ccccc1)[n]1ccccc1)C.c1(ccccc1)C
• Title of publication: Zirconium and hafnium (1-pyridinio)imido complexes: functionalized terminal hydrazinediido analogues
• Authors of publication: Herrmann, Heike; Gehrmann, Thorsten; Wadepohl, Hubert; Gade, Lutz H.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 44
• Pages of publication: 6231 - 6241
• a: 11.0651 ± 0.0008 Å
• b: 14.2917 ± 0.0011 Å
• c: 15.7951 ± 0.0011 Å
• α: 71.362 ± 0.001°
• β: 80.646 ± 0.001°
• γ: 74.071 ± 0.002°
• Cell volume: 2268.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No