Information card for entry 4512283

Structure parameters

• Chemical name: bis(nitrato-O,O')-(1,2-bis(2-pyridylmethyl)diselane-N,N',Se)-cadmium(ii)
• Formula: C12 H12 Cd N4 O6 Se2
• Calculated formula: C12 H12 Cd N4 O6 Se2
• SMILES: [Cd]1234([Se]([Se]Cc5[n]4cccc5)Cc4[n]3cccc4)(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: 8.065 ± 0.0001 Å
• b: 8.5158 ± 0.0001 Å
• c: 13.8712 ± 0.0002 Å
• α: 80.125 ± 0.0006°
• β: 81.855 ± 0.0006°
• γ: 63.48 ± 0.0005°
• Cell volume: 837.509 ± 0.019 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: 0.027
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No