Information card for entry 4512282

Structure parameters

• Chemical name: bis(nitrato-O,O')-(bis(2-pyridylmethyl)selenide-N,N',Se)-cadmium(ii)
• Formula: C12 H12 Cd N4 O6 Se
• Calculated formula: C12 H12 Cd N4 O6 Se
• SMILES: [Cd]1234([Se](Cc5[n]3cccc5)Cc3[n]4cccc3)(ON(=[O]1)=O)ON(=[O]2)=O
• 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: 7.9942 ± 0.0003 Å
• b: 8.4913 ± 0.0003 Å
• c: 12.7305 ± 0.0004 Å
• α: 80.6531 ± 0.0015°
• β: 79.1801 ± 0.0013°
• γ: 67.1369 ± 0.0012°
• Cell volume: 778.28 ± 0.05 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: 0.022
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No