Information card for entry 7033128

Structure parameters

• Formula: C28 H48 B2 Fe N8
• Calculated formula: C28 H48 B2 Fe N8
• SMILES: [BH2]1N2C(=[Fe]3(=C4N1C=CN4C(C)(C)C)=C1N(C=CN1[BH2]N1C=3N(C=C1)C(C)(C)C)C(C)(C)C)N(C=C2)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: 30.159 ± 0.004 Å
• b: 17.138 ± 0.002 Å
• c: 19.392 ± 0.003 Å
• α: 90°
• β: 112.3 ± 0.002°
• γ: 90°
• Cell volume: 9273 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No