Information card for entry 4322597

Structure parameters

• Formula: C52 H106 N4 O2 P4 Si4 Zr2
• Calculated formula: C52 H106 N4 O2 P4 Si4 Zr2
• SMILES: C1[P](C(C)C)(C(C)C)[Zr]23([N]([Si]1(C)C)[Si](C[P]3(C(C)C)C(C)C)(C)C)(Oc1c(C)cccc1C)[N]1=[N]2[Zr]231([N]([Si](C[P]2(C(C)C)C(C)C)(C)C)[Si](C[P]3(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: 14.3839 ± 0.0014 Å
• b: 17.7539 ± 0.0014 Å
• c: 25.9967 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6638.8 ± 0.9 ų
• Cell temperature: 294.2 K
• Ambient diffraction temperature: 294.2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.034
• Goodness-of-fit parameter for significantly intense reflections: 1.64
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No