Information card for entry 2023279

Structure parameters

• Chemical name: [1,3-Di-<i>tert</i>-butyl-2,4-bis(<i>tert</i>-butylamino)-1,3,2λ^5^,4λ^5^-diazadiphosphetidine-2,4-diselone-κ^2^<i>Se</i>,<i>Se</i>']diiodidomercury(II) <i>N</i>,<i>N</i>-dimethylformamide monosolvate
• Formula: C19 H45 Hg I2 N5 O P2 Se2
• Calculated formula: C19 H45 Hg I2 N5 O P2 Se2
• SMILES: [Hg]1(I)(I)[Se]=P2(N(P(=[Se]1)(N2C(C)(C)C)NC(C)(C)C)C(C)(C)C)NC(C)(C)C.O=CN(C)C
• Title of publication: Mercury(II) halide complex of cis-[( t BuNH)(Se)P(μ-N t Bu)2P(Se)(NH t Bu)]
• Authors of publication: Selby-Karney, Troy; Sampath, Kalpana; Arumugam, Kuppuswamy; Chandrasekaran, Chandru P.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 11
• Pages of publication: 1142 - 1145
• a: 9.1747 ± 0.0008 Å
• b: 17.3698 ± 0.0013 Å
• c: 20.841 ± 0.002 Å
• α: 90°
• β: 101.049 ± 0.003°
• γ: 90°
• Cell volume: 3259.7 ± 0.5 ų
• Cell temperature: 300.15 K
• Ambient diffraction temperature: 300.15 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No