Information card for entry 4103675

Structure parameters

• Formula: C24 H24 Br3 N
• Calculated formula: C24 H24 Br3 N
• SMILES: BrCc1cc(CN(Cc2cc(ccc2)CBr)Cc2cc(ccc2)CBr)ccc1
• 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: 8.8739 ± 0.0003 Å
• b: 10.2972 ± 0.0004 Å
• c: 13.4184 ± 0.0005 Å
• α: 105.857 ± 0.001°
• β: 101.177 ± 0.001°
• γ: 97.514 ± 0.001°
• Cell volume: 1134.95 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No