Information card for entry 4114612

Structure parameters

• Common name: H3TP±tpy
• Formula: C40.5 H27 B F4 N4 O
• Calculated formula: C40.5 H27 B F4 N4 O
• Title of publication: A New Class of Functionalized Terpyridyl Ligands as Building Blocks for Photosensitized Supramolecular Architectures. Synthesis, Structural, and Electronic Characterizations
• Authors of publication: Philippe Lainé; Fethi Bedioui; Philippe Ochsenbein; Valérie Marvaud; Michel Bonin; Edmond Amouyal
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 1364 - 1377
• a: 10.446 ± 0.002 Å
• b: 13.75 ± 0.002 Å
• c: 14.169 ± 0.004 Å
• α: 116.59 ± 0.03°
• β: 105.55 ± 0.03°
• γ: 93.46 ± 0.03°
• Cell volume: 1714.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.096
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections: 0.2337
• Weighted residual factors for significantly intense reflections: 0.2005
• Goodness-of-fit parameter for all reflections: 1.744
• Goodness-of-fit parameter for significantly intense reflections: 1.842
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No