Information card for entry 7025430

Structure parameters

• Formula: C20 H23 Cl N4 O
• Calculated formula: C20 H23 Cl N4 O
• SMILES: [Cl-].n1c(n(c2c1cccc2)CC)Cn1c[n+](cc1)Cc1ccccc1.O
• 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: 4.9938 ± 0.0005 Å
• b: 12.8455 ± 0.0013 Å
• c: 30.023 ± 0.003 Å
• α: 90°
• β: 92.145 ± 0.003°
• γ: 90°
• Cell volume: 1924.6 ± 0.3 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: 0.0928
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No