Information card for entry 7025431

Structure parameters

• Formula: C22 H29 Cl N4 O2
• Calculated formula: C22 H29 Cl N4 O2
• SMILES: n1c(n(c2c1cccc2)CC)Cn1c[n+](cc1)c1c(cc(cc1C)C)C.O.O.[Cl-]
• 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: 14.2268 ± 0.0007 Å
• b: 9.7074 ± 0.0005 Å
• c: 16.06 ± 0.0008 Å
• α: 90°
• β: 96.868 ± 0.001°
• γ: 90°
• Cell volume: 2202.05 ± 0.19 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No