Information card for entry 7034082

Structure parameters

• Formula: C32 H74 Hg N8 P4 Se4
• Calculated formula: C32 H74 Hg N8 P4 Se4
• SMILES: [Hg]12([Se]P3(N(C(C)(C)C)P(=[Se]1)(NC(C)(C)C)N3C(C)(C)C)=NC(C)(C)C)[Se]P1(N(C(C)(C)C)P(=[Se]2)(NC(C)(C)C)N1C(C)(C)C)=NC(C)(C)C
• Title of publication: Spirocyclic, macrocyclic and ladder complexes of coinage metals and mercury with dichalcogeno P2N2-supported anions.
• Authors of publication: Nordheider, Andreas; Hüll, Katharina; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Thirumoorthi, Ramalingam; Chivers, Tristram
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 5338 - 5346
• a: 28.096 ± 0.003 Å
• b: 28.096 ± 0.003 Å
• c: 16.694 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13178 ± 3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1837
• Weighted residual factors for all reflections included in the refinement: 0.2089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No