Information card for entry 4322598

Structure parameters

• Formula: C26 H53 Cl2 N O P2 Si2 Zr
• Calculated formula: C26 H53 Cl2 N O P2 Si2 Zr
• SMILES: [Zr]12(Cl)(Cl)([P](C[Si](N2[Si](C[P]1(C(C)C)C(C)C)(C)C)(C)C)(C(C)C)C(C)C)Oc1c(cccc1C)C
• Title of publication: Synthesis and Structure of a Zirconium Dinitrogen Complex with a Side-On Bridging N2 Unit
• Authors of publication: Jonathan D. Cohen; Michael D. Fryzuk; Thomas M. Loehr; Murugesapillai Mylvaganam; Steven J. Rettig
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 112 - 119
• a: 13.442 ± 0.002 Å
• b: 16.777 ± 0.002 Å
• c: 16.456 ± 0.002 Å
• α: 90°
• β: 108.564 ± 0.009°
• γ: 90°
• Cell volume: 3518 ± 0.8 ų
• Cell temperature: 294.2 K
• Ambient diffraction temperature: 294.2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.031
• Goodness-of-fit parameter for significantly intense reflections: 1.58
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No