Information card for entry 4323114

Structure parameters

• Formula: C44 H104 Cl4 Co4 N32 O16 S4
• Calculated formula: C44 H104 Cl4 Co4 N32 O16 S4
• SMILES: c1(nc2c3c(n1)[n]1cn3[Co]34(S2)([n]2c5c6c(S[Co]78(n6c2)([NH]2CC[NH]7CC[NH]8CC2)[n]2c6c7c(nc(N)n6)S[Co]68(n7c2)([n]2c7c9c(S[Co]%10%111(n9c2)[NH]1CC[NH]%10CC[NH]%11CC1)nc(N)n7)[NH]1CC[NH]6CC[NH]8CC1)nc(N)n5)[NH]1CC[NH]3CC[NH]4CC1)N.O.O.O.O.O.O.O.O.[Cl-].[Cl-].O.O.O.O.O.O.O.O.[Cl-].[Cl-]
• Title of publication: Self-Assembling Synthesis of Cyclic Tri- and Tetranuclear Cobalt(III) Complexes Bridged by Purine-6-thione and Their Characterization by Electrospray Mass Spectrometry and X-ray Crystal Analysis
• Authors of publication: Kazuaki Yamanari; Ito Fukuda; Tatsuya Kawamoto; Yoshihiko Kushi; Akira Fuyuhiro; Naoko Kubota; Tsuyoshi Fukuo; Ryuichi Arakawa
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 5611 - 5618
• a: 23.423 ± 0.005 Å
• b: 14.63 ± 0.004 Å
• c: 22.914 ± 0.004 Å
• α: 90°
• β: 90.7 ± 0.02°
• γ: 90°
• Cell volume: 7852 ± 3 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.045
• Goodness-of-fit parameter for significantly intense reflections: 1.716
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No