Information card for entry 4131176

Structure parameters

• Formula: C46 H48 Cl2 N10 O10 Zn2
• Calculated formula: C46 H48 Cl2 N10 O10 Zn2
• SMILES: [Zn]123(OC(=C(N=[N]2c2c4[n]1cccc4ccc2)c1[n](cccc1C)[Zn]12(OC(=C(N=[N]2c2c4[n]1cccc4ccc2)c1[n]3cccc1C)CCCC)[N]#CC)CCCC)[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Hydrazone Switch-Based Negative Feedback Loop.
• Authors of publication: Pramanik, Susnata; Aprahamian, Ivan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 46
• Pages of publication: 15142 - 15145
• a: 24.5299 ± 0.0016 Å
• b: 24.5299 ± 0.0016 Å
• c: 16.0593 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9663.1 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0907
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No