Information card for entry 7124613

Structure parameters

• Formula: C37 H44 N4 O4 Zn
• Calculated formula: C37 H44 N4 O4 Zn
• Title of publication: Propentdyopent: the scaffold of a heme metabolite as an electron reservoir in transition metal complexes.
• Authors of publication: Gautam, R.; Chang, T. M.; Astashkin, A. V.; Lincoln, K. M.; Tomat, E.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 39
• Pages of publication: 6585 - 6588
• a: 11.175 ± 0.003 Å
• b: 11.683 ± 0.003 Å
• c: 14.705 ± 0.003 Å
• α: 92.05 ± 0.005°
• β: 105.445 ± 0.005°
• γ: 110.322 ± 0.006°
• Cell volume: 1717.8 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No