Information card for entry 1566121

Structure parameters

• Common name: 1581 M6 Ligand L1, H4Me2hybeb
• Chemical name: 1,2-bis(2-hydroxybenzamido)-4,5-dimethylbenzene, (H4Me2hybeb)
• Formula: C22 H20 N2 O4
• Calculated formula: C22 H20 N2 O4
• SMILES: Oc1ccccc1C(=O)Nc1cc(C)c(C)cc1NC(=O)c1ccccc1O
• 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: 9.6854 ± 0.0002 Å
• b: 9.9691 ± 0.0002 Å
• c: 10.4536 ± 0.0002 Å
• α: 87.793 ± 0.002°
• β: 63.452 ± 0.002°
• γ: 85.496 ± 0.002°
• Cell volume: 900.12 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No