Information card for entry 4318966

Structure parameters

• Common name: Zr(NMe2)2(NHMe2)(dpma)
• Formula: C17 H31 N6 Zr
• Calculated formula: C17 H31 N6 Zr
• SMILES: [Zr]12(n3cccc3C[N]2(Cc2n1ccc2)C)(N(C)C)(N(C)C)N(C)C
• Title of publication: Group-4 η1-Pyrrolyl Complexes Incorporating N,N-Di(pyrrolyl-α-methyl)-N-methylamine
• Authors of publication: Yahong Li; Angie Turnas; James T. Ciszewski; Aaron L. Odom
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6298 - 6306
• a: 26.127 ± 0.002 Å
• b: 26.127 ± 0.002 Å
• c: 15.5158 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9172.4 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No