Information card for entry 7004743

Structure parameters

• Formula: C58 H44 Cl8 Co5 N30 S2
• Calculated formula: C58 H44 Cl8 Co5 N30 S2
• SMILES: c1cncc2[n]1[Co]134([n]5ccncc5N5c6cccc7[n]6[Co]689%10[n]%11c%12cccc%11N%11c%13[n](ccnc%13)[Co]%13%14%15([n]%16ccncc%16N%16c%17cccc([n]9%17)N([Co]156(N2%12)N(c1[n]3ccnc1)c1[n]8c(ccc1)N(c1cncc[n]%151)[Co]%10%11%14%16N7c1[n]%13ccnc1)c1[n]4ccnc1)N=C=S)N=C=S.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: First stable reduced form of [Co5]+10: fine tuning of linear pentacobalt(ii) complexes containing delocalized metal‒metal bonds through ligand modification
• Authors of publication: Wang, Wen-Zhen; Ismayilov, Rayyat Huseyn; Wang, Rui-Ren; Huang, Yi-Lin; Yeh, Chen-Yu; Lee, Gene-Hsiang; Peng, Shie-Ming
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 47
• Pages of publication: 6808 - 6816
• a: 12.2216 ± 0.0008 Å
• b: 21.3254 ± 0.0015 Å
• c: 26.4776 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6900.9 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1383
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No