Information card for entry 7035155

Structure parameters

• Formula: C27 H21 Co N5 O6
• Calculated formula: C27 H21 Co N5 O6
• SMILES: [Co]12([n]3cc4c(cc3)cccc4)(ON(=[O]1)=O)([n]1cc3c(cc1)cccc3)([n]1ccc3c(c1)cccc3)ON(=[O]2)=O
• Title of publication: Slow magnetic relaxation in mononuclear seven-coordinate cobalt(ii) complexes with easy plane anisotropy.
• Authors of publication: Chen, Lei; Chen, Shu-Yang; Sun, Yi-Chen; Guo, Yu-Mei; Yu, Lu; Chen, Xue-Tai; Wang, Zhenxing; Ouyang, Z. W.; Song, You; Xue, Zi-Ling
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 25
• Pages of publication: 11482 - 11490
• a: 11.8781 ± 0.001 Å
• b: 10.8093 ± 0.0009 Å
• c: 20.5482 ± 0.0018 Å
• α: 90°
• β: 102.77 ± 0.001°
• γ: 90°
• Cell volume: 2573 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No