Information card for entry 4330599

Structure parameters

• Chemical name: hexa(N-methylpyrrolidone)bis{2,7,12-trimethoxy-3,8,13-tris (4-N-oxide-pyridyloxy)-10,15-dihydro-5H-tribenzo[a,d,g]cyclononatriene} disilver(I) perchlorate N-methylpyrrolidone clathrate
• Formula: C114 H120 Ag3 Cl3 N12 O42
• Calculated formula: C114 H120 Ag3 Cl3 N12 O42
• Title of publication: Coordination Polymers Utilizing N-Oxide Functionalized Host Ligands
• Authors of publication: James J. Henkelis; Sarah A. Barnett; Lindsay P. Harding; Michaele J. Hardie
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10657 - 10674
• a: 25.9744 ± 0.0008 Å
• b: 25.9744 ± 0.0008 Å
• c: 25.9744 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17524.1 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.1489
• Residual factor for significantly intense reflections: 0.0958
• Weighted residual factors for significantly intense reflections: 0.272
• Weighted residual factors for all reflections included in the refinement: 0.2982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No