Information card for entry 4072623

Structure parameters

• Chemical name: Bis-(2,2,4,4-tetramethyl-3,4-dihydro-2H-pyrrole-1-oxide-5-yl)-mercurio
• Formula: C16 H28 Hg N2 O2
• Calculated formula: C16 H28 Hg N2 O2
• SMILES: [Hg]1(C2=N(=[O][Hg](C3=N(=[O]1)C(CC3(C)C)(C)C)C1=N(=O)C(CC1(C)C)(C)C)C(CC2(C)C)(C)C)C1=N(=O)C(CC1(C)C)(C)C
• Title of publication: α-Organoelement Nitrones: Synthesis, Properties, and IR and13C NMR Spectral and X-ray Structural Characterization†
• Authors of publication: Voinov, Maxim A.; Shevelev, Tikhon G.; Rybalova, Tatyana V.; Gatilov, Yury V.; Pervukhina, Natalie V.; Burdukov, Aleksei B.; Grigor'ev, Igor A.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 1607
• a: 11.862 ± 0.004 Å
• b: 11.552 ± 0.003 Å
• c: 13.875 ± 0.005 Å
• α: 90°
• β: 102.19 ± 0.03°
• γ: 90°
• Cell volume: 1858.4 ± 1.1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1642
• Weighted residual factors for all reflections included in the refinement: 0.1679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No