Information card for entry 7046860

Structure parameters

• Formula: C14 H44 Co2 F6 Mo3 N6 Na2 O25 S2
• Calculated formula: C14 H38 Co2 F6 Mo3 N6 Na2 O25 S2
• SMILES: [Co]1234([NH]5CC[NH]4CC[NH]1CC5)O[Mo](=O)(=O)O[Co]14([NH]5CC[NH]4CC[NH]1CC5)(O[Mo](=O)(=O)O3)O[Mo](=O)(O2)=O.[Na+].O.O.[Na+].O.O.[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F.O.O.O
• Title of publication: Synthesis of cationic molybdenum-cobalt heterometallic clusters protected against hydrolysis by macrocyclic triazacyclononane complexes.
• Authors of publication: Sugiarto, ?; Tagami, Tomoko; Kawamoto, Keisuke; Hayashi, Yoshihito
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 29
• Pages of publication: 9657 - 9664
• a: 10.0153 ± 0.0004 Å
• b: 14.762 ± 0.0006 Å
• c: 15.0806 ± 0.0006 Å
• α: 71.24 ± 0.01°
• β: 89.2 ± 0.01°
• γ: 70.73 ± 0.01°
• Cell volume: 1982.2 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1451
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No