Information card for entry 4303906

Structure parameters

• Formula: C50 H42 Hg P4 Se4
• Calculated formula: C50 H42 Hg P4 Se4
• SMILES: [Hg]12([Se]P(=CP(=[Se]1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Se]=P(C=P([Se]2)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Structural and Spectroscopic Studies of the PCP-Bridged Heavy Chalcogen-Centered Monoanions [HC(PPh2E)(PPh2)]- (E = Se, Te) and [HC(PR2E)2]- (E = Se, Te, R = Ph; E = Se, R =iPr): Homoleptic Group 12 Complexes and One-Electron Oxidation of [HC(PR2Se)2]-
• Authors of publication: Jari Konu; Heikki M. Tuononen; Tristram Chivers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11788 - 11798
• a: 10.354 ± 0.002 Å
• b: 14.489 ± 0.003 Å
• c: 16.695 ± 0.003 Å
• α: 111.45 ± 0.02°
• β: 94.92 ± 0.03°
• γ: 93.71 ± 0.03°
• Cell volume: 2310 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No