Information card for entry 4125335

Structure parameters

• Formula: C41 H66 Co N2 Si2
• Calculated formula: C41 H66 Co N2 Si2
• SMILES: [Co]12(=C3N(C4=C(N3c3c(cccc3C(C)C)C(C)C)CCCC4)c3c(cccc3C(C)C)C(C)C)([CH2]=[CH]1[Si](C)(C)C)[CH2]=[CH]2[Si](C)(C)C
• Title of publication: Two-Coordinate Co(II) Imido Complexes as Outstanding Single-Molecule Magnets.
• Authors of publication: Yao, Xiao-Nan; Du, Jing-Zhen; Zhang, Yi-Quan; Leng, Xue-Bing; Yang, Mu-Wen; Jiang, Shang-Da; Wang, Zhen-Xing; Ouyang, Zhong-Wen; Deng, Liang; Wang, Bing-Wu; Gao, Song
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 1
• Pages of publication: 373 - 380
• a: 10.0663 ± 0.0009 Å
• b: 10.6374 ± 0.001 Å
• c: 19.5657 ± 0.0017 Å
• α: 85.977 ± 0.002°
• β: 85.038 ± 0.002°
• γ: 73.507 ± 0.002°
• Cell volume: 1999.1 ± 0.3 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 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: 0.0468
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No