Information card for entry 7045516

Structure parameters

• Formula: C14 H32 I4 P2 Se2
• Calculated formula: C14 H32 I4 P2 Se2
• SMILES: C(P(C(C)C)(CCP(C(C)C)(C(C)C)=[Se][I]I)=[Se][I]I)(C)C
• Title of publication: Bromination and iodination of diphosphane dichalcogenides.
• Authors of publication: Upmann, Daniel; Jones, Peter G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 8
• Pages of publication: 2748 - 2758
• a: 7.7755 ± 0.0007 Å
• b: 9.355 ± 0.0008 Å
• c: 9.4012 ± 0.0009 Å
• α: 105.549 ± 0.008°
• β: 98.76 ± 0.008°
• γ: 98.357 ± 0.008°
• Cell volume: 638.56 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0287
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections included in the refinement: 0.0401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No