Information card for entry 4335771

Structure parameters

• Formula: C47 H29 Cl3 N4 O2 Ru
• Calculated formula: C47 H29 Cl3 N4 O2 Ru
• SMILES: c12c3cc4C(=c5ccc6=C(c7ccc(=C(c8n2c(c3c2ccccc2)cc8)c2ccccc2)[n]7[Ru]([n]14)(n56)(C#[O])(C#[O])Cl)c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: Synthesis and Isomerization of N-Fused Tetraphenylporphyrin Ruthenium(II) Complexes
• Authors of publication: Motoki Toganoh; Hideaki Matsuo; Ayumi Sato; Yuya Hirashima; Hiroyuki Furuta
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 9613 - 9619
• a: 9.7741 ± 0.0007 Å
• b: 12.561 ± 0.0009 Å
• c: 16.6774 ± 0.0013 Å
• α: 103.627 ± 0.001°
• β: 94.34 ± 0.002°
• γ: 103.108 ± 0.002°
• Cell volume: 1919.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0774
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No