Information card for entry 4332262

Structure parameters

• Formula: C107 H130 Co2 N4 O8
• Calculated formula: C107 H130 Co2 N4 O8
• SMILES: [Co]123([n]4ccccc4c4[n]1cc(cc4)c1cc(c4ccc5[n]([Co]67([n]8ccccc58)(Oc5cc(cc(c5O6)C(C)(C)C)C(C)(C)C)Oc5cc(cc(c5O7)C(C)(C)C)C(C)(C)C)c4)cc(c1)C(C)(C)C)(Oc1cc(cc(c1O2)C(C)(C)C)C(C)(C)C)Oc1cc(cc(c1O3)C(C)(C)C)C(C)(C)C.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1
• Title of publication: Testing Bridge-Mediated Differences in Dinuclear Valence Tautomeric Behavior
• Authors of publication: Bin-Salamon, Sofi; Brewer, Scott H.; Depperman, Ezra C.; Franzen, Stefan; Kampf, Jeff W.; Kirk, Martin L.; Kumar, R. Krishna; Lappi, Simon; Peariso, Katrina; Preuss, Kathryn E.; Shultz, David A.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 4461 - 4467
• a: 20.633 ± 0.004 Å
• b: 19.207 ± 0.003 Å
• c: 24.055 ± 0.004 Å
• α: 90°
• β: 95.452 ± 0.007°
• γ: 90°
• Cell volume: 9490 ± 3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• 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: 0.1606
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.1692
• Weighted residual factors for all reflections included in the refinement: 0.2167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No