Information card for entry 7023294

Structure parameters

• Formula: C142 H122 Co16 N16 O41
• Calculated formula: C140 H114 Co16 N16 O39
• SMILES: c1(ccccc1)C(=O)O[Co]12[N]3[O]45[Co]6789[OH]1[Co]1%10%11([O]%12%13[N]2=C(O[Co]2%14%13[N]%13=C(c%15ccccc%15)[O]%15[Co]%16%17%18([n]%19cccc%20ccc%21ccc[n]%16c%21c%19%20)OC(=N[O]%17[Co]%16%17%19%20[O]%21%22[N]%23=C(c%24ccccc%24)O[Co]%24%21([N](=C(c%21ccccc%21)O2)[O]%10%14%20)OC(=[N]2[Co]%10%14%20[O](C)[Co]%25%26([n]%27cccc%28ccc%29ccc[n]%26c%29c%27%28)(OC(=N[O]6%25)c6ccccc6)[O]%10C(=[N]6[Co]%10%21%25OC(=[N]%26[O]%27%10[Co]%22([O]67%14)([O]=C(c6ccccc6)O%20)([O]12%24)[O]19%11%19[Co]264%12[O]%13%17[Co]%15([N]4=C(c7ccccc7)O[Co]75([N](=C(c5ccccc5)O%21)[O]8%25[Co]1%27([OH]%16[Co]%23%26OC(=O)c1ccccc1)([O]647)[OH]C)OC=3c1ccccc1)([O]=C(c1ccccc1)O2)[OH]%18C)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)[OH]C
• Title of publication: A Co16 cluster and a 1-D Mn chain complex supported by benzohydroxamic acid.
• Authors of publication: Cao, Yanyuan; Chen, Yanmei; Li, Lei; Gao, Dandan; Liu, Wei; Hu, Hailiang; Li, Wu; Li, Yahong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 30
• Pages of publication: 10912 - 10918
• a: 15.3342 ± 0.0004 Å
• b: 16.9161 ± 0.0005 Å
• c: 17.3028 ± 0.0008 Å
• α: 97.768 ± 0.002°
• β: 107.154 ± 0.002°
• γ: 115.773 ± 0.001°
• Cell volume: 3676.6 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.145
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.211
• Weighted residual factors for all reflections included in the refinement: 0.2411
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No