Information card for entry 7022431

Structure parameters

• Common name: Zr(dpmames)(NMe2)2
• Formula: C33 H45 N5 Zr
• Calculated formula: C33 H45 N5 Zr
• SMILES: [Zr]12(n3c(c4c(C)cc(cc4C)C)ccc3C[N]2(C)Cc2n1c(c1c(C)cc(C)cc1C)cc2)(N(C)C)N(C)C
• Title of publication: Single-site N-N bond cleavage by Mo(IV): possible mechanisms of hydrazido(1-) to nitrido conversion.
• Authors of publication: DiFranco, Stephen A.; Staples, Richard J.; Odom, Aaron L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 7
• Pages of publication: 2530 - 2539
• a: 8.8989 ± 0.0003 Å
• b: 17.1612 ± 0.0007 Å
• c: 11.0168 ± 0.0004 Å
• α: 90°
• β: 112.552 ± 0.001°
• γ: 90°
• Cell volume: 1553.79 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No