Information card for entry 2209148

Structure parameters

• Common name: (S)-pent-4-enylglycine-Ni-(R)-BPB
• Chemical name: [N-({(R)-2-[(N-Benzylprolyl)amino]phenyl}phenylmethylene)-2(S)- (pent-4-enyl)glycinato]nickel(II)
• Formula: C32 H33 N3 Ni O3
• Calculated formula: C32 H33 N3 Ni O3
• Title of publication: [<i>N</i>-({(<i>R</i>)-2-[(<i>N</i>-Benzylprolyl)amino]phenyl}phenylmethylene)-2(<i>S</i>)-(pent-4-enyl)glycinato]nickel(II)
• Authors of publication: Carducci, Michael D.; Gu, Xuyuan; Cole, Jenine R.; Hruby, Victor J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m1219 - m1220
• a: 9.8595 ± 0.0009 Å
• b: 14.648 ± 0.0014 Å
• c: 18.3738 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2653.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes