Information card for entry 7022432

Structure parameters

• Common name: Zr(dpma-mes)(NHNMe2)2
• Formula: C33 H47 N7 Zr
• Calculated formula: C33 H47 N7 Zr
• SMILES: [Zr]1234(n5c(ccc5c5c(C)cc(cc5C)C)C[N]3(Cc3n1c(c1c(cc(cc1C)C)C)cc3)C)(N[N]2(C)C)N[N]4(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: 9.3493 ± 0.0009 Å
• b: 16.361 ± 0.002 Å
• c: 11.4593 ± 0.0013 Å
• α: 90°
• β: 111.503 ± 0.007°
• γ: 90°
• Cell volume: 1630.9 ± 0.3 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: 0.1065
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No