Information card for entry 4331897

Structure parameters

• Formula: C38 H31 O P
• Calculated formula: C38 H31 O P
• SMILES: c1(ccc2ccc3cccc4ccc1c2c34)CCCCOc1ccccc1P(c1ccccc1)c1ccccc1
• Title of publication: Luminescence of Ruthenium Halide Complexes Containing a Hemilabile Phosphine Pyrenyl Ether Ligand
• Authors of publication: Matkovich, Kristin M.; Thorne, Lisa M.; Wolf, Michael O.; Pace, Tamara C. S.; Bohne, Cornelia; Patrick, Brian O.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 12
• Pages of publication: 4610 - 4618
• a: 24.212 ± 0.003 Å
• b: 15.116 ± 0.001 Å
• c: 7.6453 ± 0.0007 Å
• α: 90°
• β: 98.276 ± 0.005°
• γ: 90°
• Cell volume: 2769 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1336
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No