Information card for entry 4512281

Structure parameters

• Common name: bis(nitrato-O,O')-(bis(2-pyridylmethyl)selenide-N,N',Se)-zinc(ii)
• Formula: C12 H12 N4 O6 Se Zn
• Calculated formula: C12 H12 N4 O6 Se Zn
• SMILES: [Se]12[Zn]34([O]=N(=O)O3)([O]=N(=O)O4)([n]3ccccc3C1)[n]1c(C2)cccc1
• Title of publication: Staging Bonding between Group 12 Metal Ions and Neutral Selenium Donors: Intermolecular Interactions of Mixed N,Se Donor Ligands and Anions
• Authors of publication: Hain, Malia S.; Fukuda, Yoko; Rojas Ramírez, Carolina; Winer, Benjamin Y.; Winslow, Stephanie E.; Pike, Robert D.; Bebout, Deborah C.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 12
• Pages of publication: 6497
• a: 7.9133 ± 0.0002 Å
• b: 8.3841 ± 0.0002 Å
• c: 12.7127 ± 0.0003 Å
• α: 81.8816 ± 0.0008°
• β: 80.8657 ± 0.0007°
• γ: 65.1216 ± 0.0007°
• Cell volume: 752.85 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0268
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No