Information card for entry 4114946

Structure parameters

• Formula: C48 H84 N6 Nb2 P4 Si8
• Calculated formula: C48 H84 N6 Nb2 P4 Si8
• SMILES: [Nb]123([P]4(C[Si](N2[Si](C[P]1(C[Si](N3[Si](C4)(C)C)(C)C)c1ccccc1)(C)C)(C)C)c1ccccc1)N=N[Nb]123[P]4(C[Si](N2[Si](C[P]1(C[Si](N3[Si](C4)(C)C)(C)C)c1ccccc1)(C)C)(C)C)c1ccccc1
• Title of publication: Nitride Formation by Thermolysis of a Kinetically Stable Niobium Dinitrogen Complex
• Authors of publication: Michael D. Fryzuk; Christopher M. Kozak; Michael R. Bowdridge; Brian O. Patrick; Steven J. Rettig
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 8389 - 8397
• a: 16.1151 ± 0.0011 Å
• b: 15.887 ± 0.002 Å
• c: 26.0621 ± 0.0007 Å
• α: 90°
• β: 92.813 ± 0.0004°
• γ: 90°
• Cell volume: 6664.4 ± 1 ų
• Cell temperature: 180.2 K
• Ambient diffraction temperature: 180.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1142
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for all reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections: 2.586
• Goodness-of-fit parameter for all reflections included in the refinement: 2.586
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No