Information card for entry 7239972

Structure parameters

• Formula: C24 H22 Co N18 O
• Calculated formula: C24 H22 Co N18 O
• SMILES: [Co]12([n]3c(c4[n]1nc(n4N)c1ncccc1)cccc3)([n]1nc(n(N)c1c1[n]2cccc1)c1ncccc1)(N=N#N)N=N#N.O
• Title of publication: Coligand effects on the architectures and magnetic properties of octahedral cobalt(ii) complexes with easy-axis magnetic anisotropy
• Authors of publication: Wu, Yuewei; Xi, Jing; Yang, Jinhui; Song, Weiming; Luo, Shuchang; Wang, Zheng; Liu, Xiangyu
• Journal of publication: CrystEngComm
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 13
• Pages of publication: 2297 - 2303
• a: 13.1218 ± 0.0007 Å
• b: 14.2515 ± 0.0007 Å
• c: 14.6292 ± 0.0008 Å
• α: 90°
• β: 102.327 ± 0.005°
• γ: 90°
• Cell volume: 2672.7 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0927
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No