Information card for entry 7033125

Structure parameters

• Formula: C28 H48 B2 Co N8
• Calculated formula: C28 H48 B2 Co N8
• SMILES: [BH2]1N2C=CN(C2=[Co]2(=C3N(C=CN3C(C)(C)C)[BH2]N3C=2N(C=C3)C(C)(C)C)=C2N1C=CN2C(C)(C)C)C(C)(C)C
• Title of publication: Four-coordinate Co(II) and Fe(II) complexes with bis(N-heterocyclic carbene)borate and their magnetic properties.
• Authors of publication: Liu, Yuan-Zhong; Wang, Jing; Zhao, Yue; Chen, Lei; Chen, Xue-Tai; Xue, Zi-Ling
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 3
• Pages of publication: 908 - 911
• a: 10.9379 ± 0.0007 Å
• b: 13.6742 ± 0.0009 Å
• c: 11.1977 ± 0.0008 Å
• α: 90°
• β: 114.184 ± 0.001°
• γ: 90°
• Cell volume: 1527.82 ± 0.18 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: 0.0821
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No