Information card for entry 4323488

Structure parameters

• Formula: C44 H38 Cl2 Cu N4 O2
• Calculated formula: C46 H38 Cl2 Cu N4 O2
• SMILES: [Cu]1(Cl)(Cl)n2c(n(c(c2c2ccccc2)c2ccccc2)C)=C(OCc2ccccc2)c2[n]1c(c(n2C)c1ccccc1)c1ccccc1.OCC.C=CC=C
• Title of publication: Synthesis and Coordination Chemistry of the Bis(imidazole) Ligand, Bis(1-methyl-4,5-diphenylimidaz-2-oyl)(benzyloxy)methane
• Authors of publication: Rajiv Bhalla; Madeleine Helliwell; C. David Garner
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 2944 - 2949
• a: 17.171 ± 0.005 Å
• b: 13.988 ± 0.003 Å
• c: 17.897 ± 0.005 Å
• α: 90°
• β: 112.52 ± 0.02°
• γ: 90°
• Cell volume: 3970.9 ± 1.9 ų
• Cell temperature: 303.2 K
• Ambient diffraction temperature: 303.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.0923
• Goodness-of-fit parameter for significantly intense reflections: 2.507
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No