Information card for entry 4103676

Structure parameters

• Formula: C25 H29 Cl2 N O3
• Calculated formula: C25 H29 Cl2 N O3
• SMILES: C(c1ccccc1CO)N(Cc1ccccc1CO)Cc1ccccc1CO.C(Cl)Cl
• Title of publication: Tripodal Tris-tacn and Tris-dpa Platforms for Assembling Phosphate-Templated Trimetallic Centers
• Authors of publication: Rui Cao; Peter Müller; Stephen J. Lippard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 17366 - 17369
• a: 10.6831 ± 0.0008 Å
• b: 11.753 ± 0.0008 Å
• c: 19.2189 ± 0.0014 Å
• α: 80.627 ± 0.001°
• β: 79.368 ± 0.001°
• γ: 83.438 ± 0.001°
• Cell volume: 2331.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No