Information card for entry 4330603

Structure parameters

• Chemical name: dinitro{2,7,12-Trimethoxy-3,8,13-tris(2-N-oxide-pyridylmethoxy)- 10,15-dihydro-5H-tribenzo[a,d,g]cyclononatriene}cadmium(II) dimtheylformamide clathrate
• Formula: C48 H53 Cd N7 O17
• Calculated formula: C48 H53 Cd N7 O17
• 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: 8.0052 ± 0.0007 Å
• b: 24.325 ± 0.002 Å
• c: 14.2675 ± 0.0012 Å
• α: 90°
• β: 100.117 ± 0.003°
• γ: 90°
• Cell volume: 2735.1 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1602
• Weighted residual factors for all reflections included in the refinement: 0.1705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No