Information card for entry 7200424

Structure parameters

• Formula: C54 H66 Cl2 Co7 N6 O26
• Calculated formula: C54 H66 Cl2 Co7 N6 O26
• SMILES: c12c3cccc1C=[NH][Co]1456[O]2[Co]278([O]3C)[O]1(C)[Co]139%10[O]%11(C)[Co]%12%13%14([O]%15c%16c(cccc%16C=[NH]%12)[O](C)[Co]%12%11%15([NH]=Cc%11c(c(ccc%11)[O]5C)[O]4%12)[O]6%10C)[O]4c5c(cccc5C=[NH][Co]564([O]4[Co]%10([NH]=Cc%11c4c(ccc%11)[O]5C)([O]7c4c(cccc4C=[NH]2)[O]%10C)([O]16C)[O]89C)[O]3%14C)[O]%13C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Microwave-assisted synthesis, crystal structure and properties of a disc-like heptanuclear Co(II) cluster and a heterometallic cubanic Co(II) cluster
• Authors of publication: Shu-Hua Zhang; You Song; Hong Liang; Ming-Hua Zeng
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 865 - 872
• a: 14.1188 ± 0.0011 Å
• b: 14.1188 ± 0.0011 Å
• c: 9.6675 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1668.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.1126
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.2338
• Weighted residual factors for all reflections included in the refinement: 0.2457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No