Information card for entry 4113463

Structure parameters

• Formula: C27 H32 Cl Mn N4 O7.5
• Calculated formula: C27 H25 Cl Mn N4 O7.5
• SMILES: [Mn]1234(Oc5ccccc5C[NH]1c1c(C[N]2(Cc2[n]3cccc2)Cc2[n]4cccc2)cccc1)[OH2].Cl(=O)(=O)(=O)[O-].CO.O
• Title of publication: ZP4, an Improved Neuronal Zn2+ Sensor of the Zinpyr Family
• Authors of publication: Shawn C. Burdette; Christopher J. Frederickson; Weiming Bu; Stephen J. Lippard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 1778 - 1787
• a: 10.09 ± 0.002 Å
• b: 11.7 ± 0.004 Å
• c: 13.043 ± 0.004 Å
• α: 64.363 ± 0.013°
• β: 89.406 ± 0.019°
• γ: 84.44 ± 0.03°
• Cell volume: 1380.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No