Information card for entry 7008506

Structure parameters

• Formula: C28 H32 O4 P4 Pb2 Se8
• Calculated formula: C28 H32 O4 P4 Pb2 Se8
• SMILES: [Pb]12([Se]=P([Se][Pb]3([Se]=P([Se]2)(c2ccccc2)OC)[Se]=P([Se]3)(c2ccccc2)OC)(c2ccccc2)OC)[Se]=P([Se]1)(c1ccccc1)OC
• Title of publication: Synthesis and structure of novel [Ph(RO)PSe2]- complexes.
• Authors of publication: Gray, Ian P.; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 12
• Pages of publication: 2188 - 2194
• a: 17.309 ± 0.004 Å
• b: 6.4914 ± 0.001 Å
• c: 18.073 ± 0.004 Å
• α: 90°
• β: 92.072 ± 0.005°
• γ: 90°
• Cell volume: 2029.3 ± 0.7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• 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: 0.0194
• Residual factor for significantly intense reflections: 0.0176
• Weighted residual factors for significantly intense reflections: 0.0387
• Weighted residual factors for all reflections included in the refinement: 0.0395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No