Information card for entry 7034083

Structure parameters

• Formula: C37 H61 Ag N6 P2 Se2
• Calculated formula: C37 H61 Ag N6 P2 Se2
• SMILES: [Ag]1([Se]P2(N(C(C)(C)C)P(=[Se]1)(NC(C)(C)C)N2C(C)(C)C)=NC(C)(C)C)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)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: 16.921 ± 0.006 Å
• b: 14.566 ± 0.005 Å
• c: 17.507 ± 0.006 Å
• α: 90°
• β: 94.846 ± 0.01°
• γ: 90°
• Cell volume: 4300 ± 3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.1394
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.2198
• Weighted residual factors for all reflections included in the refinement: 0.2517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No