Information card for entry 7025435

Structure parameters

• Formula: C46 H58 Cl2 N8 Ni O3
• Calculated formula: C46 H58 Cl2 N8 Ni O3
• Title of publication: Substituent-dependent structures and catalysis of benzimidazole-tethered N-heterocyclic carbene complexes of Ag(I), Ni(II) and Pd(II).
• Authors of publication: Li, Fuwei; Hu, Jian Jin; Koh, Lip Lin; Hor, T. S. Andy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 22
• Pages of publication: 5231 - 5241
• a: 16.88 ± 0.006 Å
• b: 13.061 ± 0.005 Å
• c: 22.335 ± 0.008 Å
• α: 90°
• β: 109.268 ± 0.008°
• γ: 90°
• Cell volume: 4648 ± 3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1838
• Residual factor for significantly intense reflections: 0.1169
• Weighted residual factors for significantly intense reflections: 0.2699
• Weighted residual factors for all reflections included in the refinement: 0.3023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No