Information card for entry 7115462

Structure parameters

• Formula: C50 H31 N3 Pt
• Calculated formula: C50 H31 N3 Pt
• SMILES: [Pt]123n4c5=C(c6[n]1c(=C(c1c7c(c(c31)C(=c1[n]2c(C(=c4cc5)c2ccccc2)cc1)c1ccccc1)ccccc7)c1ccccc1)cc6)c1ccccc1
• Title of publication: Merging of inner and outer ruthenium organometallic coordination motifs within an azuliporphyrin framework
• Authors of publication: Michal J. Bialek; Lechoslaw Latos-Grazynski
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 9270
• a: 10.315 ± 0.003 Å
• b: 11.935 ± 0.003 Å
• c: 14.841 ± 0.004 Å
• α: 103.07 ± 0.04°
• β: 97.56 ± 0.03°
• γ: 102.32 ± 0.04°
• Cell volume: 1707.4 ± 0.9 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: 0.0836
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.1837
• Weighted residual factors for all reflections included in the refinement: 0.1953
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No