Information card for entry 4112844

Structure parameters

• Formula: C86 H128 N6 P4 Si8 Zr2
• Calculated formula: C86 H128 N6 P4 Si8 Zr2
• SMILES: [Zr]12345([C](#Cc6ccc(cc6)C(C)(C)C)[Zr]6789([P]%10(C[Si](N8[Si](C[P]7(C[Si](N9[Si](C%10)(C)C)(C)C)c7ccccc7)(C)C)(C)C)c7ccccc7)[N]4=N56C=Cc4ccc(cc4)C(C)(C)C)[P]4(C[Si](N2[Si](C[P]1(C[Si](N3[Si](C4)(C)C)(C)C)c1ccccc1)(C)C)(C)C)c1ccccc1.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Carbon-Nitrogen Bond Formation via the Reaction of Terminal Alkynes with a Dinuclear Side-on Dinitrogen Complex
• Authors of publication: Lara Morello; Jason B. Love; Brian O. Patrick; Michael D. Fryzuk
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 9480 - 9481
• a: 27.261 ± 0.001 Å
• b: 12.783 ± 0.0004 Å
• c: 28.343 ± 0.001 Å
• α: 90°
• β: 108.92 ± 0.002°
• γ: 90°
• Cell volume: 9343.3 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1087
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No