Information card for entry 1566123

Structure parameters

• Common name: 1598 SM2prime [Co4(μ3-OH)2(μ2-Me2hybeb)2(CH3CN)6].2H2O.2(CH3CN)
• Chemical name: [Co4(μ3-OH)2(μ2-Me2hybeb)2(CH3CN)6].2H2O.2(CH3CN)
• Formula: C60 H62 Co4 N12 O12
• Calculated formula: C56 H52 Co4 N10 O12
• SMILES: c12ccccc1C(=O)N1c3cc(c(cc3N3C(=O)c4ccccc4[O]4[Co]513([N]#CC)[O]2[Co]12([N]#CC)([N]#CC)[OH]5[Co]34([N]#CC)([N]#CC)[O]4c5ccccc5C(=O)N5c6cc(c(cc6N6C(=O)c7ccccc7[O]1[Co]456([N]#CC)[OH]23)C)C)C)C.O.O
• Title of publication: Electrochemical synthesis and crystal structure studies of defective dicubane tetranuclear hydroxo and carboxamide ligand bridged cobalt(II)–cobalt(III) complexes with carboxamides produced from unprotected hydroxyaromatic carboxylic acids
• Authors of publication: Meghdadi, Soraia; Mirkhani, Valiollah; Mereiter, Kurt
• Journal of publication: Comptes Rendus Chimie
• Year of publication: 2015
• Journal volume: 18
• Journal issue: 6
• Pages of publication: 654 - 661
• a: 12.0549 ± 0.0006 Å
• b: 12.4484 ± 0.0006 Å
• c: 12.7005 ± 0.0006 Å
• α: 65.574 ± 0.003°
• β: 63.112 ± 0.003°
• γ: 85.976 ± 0.003°
• Cell volume: 1531.6 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No