Information card for entry 7039359

Structure parameters

• Formula: C36 H29 Cl2 Cu N5 O8
• Calculated formula: C36 H29 Cl2 Cu N5 O8
• Title of publication: Synthesis and structural analyses of phenylethynyl-substituted tris(2-pyridylmethyl)amines and their copper(ii) complexes.
• Authors of publication: Lim, Jaebum; Lynch, Vincent M.; Edupuganti, Ramakrishna; Ellington, Andrew; Anslyn, Eric V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10585 - 10598
• a: 11.6528 ± 0.0011 Å
• b: 12.4257 ± 0.0013 Å
• c: 13.8814 ± 0.0015 Å
• α: 99.698 ± 0.003°
• β: 111.246 ± 0.003°
• γ: 100.405 ± 0.002°
• Cell volume: 1781.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No