Information card for entry 7009335

Structure parameters

• Formula: C27 H29 Cl Cu N4 O5 S
• Calculated formula: C27 H31 Cl Cu N4 O6 S
• Title of publication: Copper(II) complexes of 6-hydroxymethyl-substituted tris(2-pyridylmethyl)amine ligands †
• Authors of publication: He, Zhicong; Chaimungkalanont, P. Jinny; Craig, Donald C.; Colbran, Stephen B.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 9
• Pages of publication: 1419
• a: 8.929 ± 0.005 Å
• b: 12.006 ± 0.007 Å
• c: 14.098 ± 0.009 Å
• α: 114.43 ± 0.03°
• β: 97.71 ± 0.04°
• γ: 91 ± 0.04°
• Cell volume: 1359.1 ± 1.5 ų
• Cell temperature: 294 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.4
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No