Information card for entry 4330609

Structure parameters

• Chemical name: bis(dimethylformamide)bis{2,7,12-trimethoxy-3,8,13-tris(3-N-oxide-pyridyloxy) -10,15-dihydro-5H-tribenzo[a,d,g]cyclononatriene}cobalt(II) nitrate dimethylformamide clathrate hydrate
• Formula: C102 H110 Co N14 O36
• Calculated formula: C102 H108 Co N14 O37
• 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: 12.047 ± 0.005 Å
• b: 14.724 ± 0.006 Å
• c: 18.024 ± 0.007 Å
• α: 97.079 ± 0.001°
• β: 107.478 ± 0.005°
• γ: 102.281 ± 0.007°
• Cell volume: 2919 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1242
• Residual factor for significantly intense reflections: 0.1207
• Weighted residual factors for significantly intense reflections: 0.4018
• Weighted residual factors for all reflections included in the refinement: 0.4064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.995
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No