Information card for entry 7026702

Structure parameters

• Formula: C42 H38 Cl4 Cu2 N6 O2
• Calculated formula: C42 H38 Cl4 Cu2 N6 O2
• SMILES: c12N(c3cccc[n]3[Cu]3([n]1cccc2)([Cl][Cu]1([n]2c(cccc2)N(c2cccc[n]12)c1c2ccccc2ccc1)([Cl]3)Cl)Cl)c1c2ccccc2ccc1.OC.CO
• Title of publication: Synthesis and characterization of aryl substituted bis(2-pyridyl)amines and their copper olefin complexes: investigation of remote steric control over olefin binding.
• Authors of publication: Allen, John J.; Hamilton, Christopher E.; Barron, Andrew R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 47
• Pages of publication: 11451 - 11468
• a: 8.9968 ± 0.0018 Å
• b: 8.0607 ± 0.0016 Å
• c: 28.486 ± 0.006 Å
• α: 90°
• β: 98 ± 0.03°
• γ: 90°
• Cell volume: 2045.7 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Ambient diffracton pressure: 101.33 kPa
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1152
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.2496
• Weighted residual factors for all reflections included in the refinement: 0.2628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No