Information card for entry 1502685

Structure parameters

• Formula: C110 H76 Cl4 Cu F6 N4 P
• Calculated formula: C110 H76 Cl4 Cu F6 N4 P
• Title of publication: Influence of ligand substitution on excited state structural dynamics in Cu(I) bisphenanthroline complexes.
• Authors of publication: Lockard, Jenny V.; Kabehie, Sanaz; Zink, Jeffrey I.; Smolentsev, Grigory; Soldatov, Alexander; Chen, Lin X.
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2010
• Journal volume: 114
• Journal issue: 45
• Pages of publication: 14521 - 14527
• a: 24.538 ± 0.003 Å
• b: 28.186 ± 0.003 Å
• c: 18.9595 ± 0.0019 Å
• α: 90°
• β: 129.526 ± 0.001°
• γ: 90°
• Cell volume: 10114.5 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1683
• Weighted residual factors for all reflections included in the refinement: 0.1807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No