Information card for entry 4335943

Structure parameters

• Common name: Pd Por3
• Chemical name: Pd Porphyrin 3
• Formula: C43 H27 N5 Pd
• Calculated formula: C43 H27 N5 Pd
• SMILES: [Pd]123[n]4c5=C(c6n3c(C(=c3[n]2c(C(=c2n1c(=C(c4cc5)c1ccccc1)cc2)c1ccncc1)cc3)c1ccccc1)cc6)c1ccccc1
• Title of publication: Two-Photon Oxygen Sensing with Quantum Dot-Porphyrin Conjugates
• Authors of publication: Christopher M. Lemon; Elizabeth Karnas; Moungi G. Bawendi; Daniel G. Nocera
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 10394 - 10406
• a: 13.736 ± 0.003 Å
• b: 21.167 ± 0.003 Å
• c: 12.464 ± 0.002 Å
• α: 90°
• β: 121.98 ± 0.004°
• γ: 90°
• Cell volume: 3073.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No