Information card for entry 4335530

Structure parameters

• Common name: Dipyridylzinc
• Formula: C31 H29 N9 O12 Zn2
• Calculated formula: C31 H29 N9 O12 Zn2
• SMILES: [Zn]1234[N](c5ccccc5)(Cc5[n]3c(C[N]1(c1ccccc1)Cc1[n]2cccc1)ccc5)Cc1[n]4cccc1.N(=O)(=O)O[Zn]12(ON(=O)=[O]1)(ON(=O)=[O]2)ON(=O)=O
• Title of publication: Increasing the Dynamic Range of Metal Ion Affinity Changes in Zn2+ Photocages Using Multiple Nitrobenzyl Groups
• Authors of publication: Celina Gwizdala; Prem N. Basa; John C. MacDonald; Shawn C. Burdette
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 8483 - 8494
• a: 10.4293 ± 0.0003 Å
• b: 15.1047 ± 0.0003 Å
• c: 22.6113 ± 0.0006 Å
• α: 90°
• β: 102.094 ± 0.001°
• γ: 90°
• Cell volume: 3482.93 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.294
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No