Information card for entry 4331097

Structure parameters

• Formula: C188 H302 Co20 N14 O78
• Calculated formula: C188 H224 Co20 N14 O78
• SMILES: C1[O]2[Co]3456[O]7C(=[O][Co]89%102[O]=C([O]3[Co]23%11%12[O]%13%14CCC[N]%15(CC[OH][Co]%16%14%15([O]=C(C)[O]3[Co]3%14([O]2C(=[O]4)C)([O]2CC[N]4(CCC[O]%15%17[Co]%18%1924[O](C(=[O]3)C)[Co]23%15([O]4%15CCC[N]%20(CC[OH][Co]%21%15%20([O]3C(=O)C)[O]3C(C)=[O][Co]%15%20%22([O]%23CC[N]%24(CCC[O]%25%26[Co]%27%28%23%24[O](C(=[O]%15)C)[Co]%15%23%25([O]%24%25CCC[N]%29(CC[OH][Co]%30%25%29([O]%23C(=O)C)[O]%23C(C)=[O][Co]%25%29%31([O]%32CC[N]%33(CCC[O]%34%35[Co]%36%37%32%33[O](C(=[O]%25)C)[Co]%25%32%34([O]%33%34CCC[N]%38(CC[OH][Co]%39%34%38([O]%32C(=O)C)[O](C(C)=[O]9)[Co]%35%33([O]%36C(=[O]%29)C)([O]8C(=[O]%37)C)[O]%10C(C)=[O]%39)Cc8ccccc8)OC(C)O%25)Cc8ccccc8)[O](C(=[O]%28)C)[Co]%26%24%23([O]%27C(=[O]%20)C)[O]%31C(C)=[O]%30)Cc8ccccc8)OC(C)O%15)Cc8ccccc8)[O](C(=[O]%19)C)[Co]%1743([O]%18C(=[O]%14)C)[O]%22C(C)=[O]%21)Cc3ccccc3)[O]=C(C)O2)Cc2ccccc2)[O]=C(C)[O]%12%16)[O](C(=O)C)[Co]27%13([O]6%11CCC[N]5(C1)Cc1ccccc1)[O]=C(C)O2)Cc1ccccc1)C)C.N#CC.N#CC.C(C)OCC.CCOCC.N#CC.N#CC.N#CC.N#CC.C(C)OCC.C(C)OCC.C(C)OCC.CCOCC
• Title of publication: Wheel-Shaped Icosanuclear Homo- and Heterometallic Complexes of NiII, CoII, and CuII Ions Supported by Unsymmetrical Aminoalcohol Ligands
• Authors of publication: Takayuki Nakajima; Keiko Seto; Fumihiro Horikawa; Isao Shimizu; Andreas Scheurer; Bunsho Kure; Takashi Kajiwara; Tomoaki Tanase; Masahiro Mikuriya
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12503 - 12510
• a: 22.826 ± 0.007 Å
• b: 22.826 ± 0.007 Å
• c: 23.129 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12051 ± 6 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No