Information card for entry 7003864

Structure parameters

• Formula: C27 H59 N5 Si3 Zr
• Calculated formula: C27 H59 N5 Si3 Zr
• SMILES: C1C2(CN([Si](C)(C)C(C)(C)C)[Zr]3(C[Si](C)(C)C)(N1[Si](C)(C)C(C)(C)C)([n]1c2cccc1)N[N]3(C)C)C
• Title of publication: En route to zirconium hydrazides(2−)
• Authors of publication: Herrmann, Heike; Wadepohl, Hubert; Gade, Lutz H.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 16
• Pages of publication: 2111 - 2119
• a: 16.7739 ± 0.0009 Å
• b: 12.2454 ± 0.0007 Å
• c: 18.351 ± 0.0011 Å
• α: 90°
• β: 111.567 ± 0.001°
• γ: 90°
• Cell volume: 3505.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0699
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No