Information card for entry 2013228

Structure parameters

• Chemical name: (dibenzoylcarbenyl-κC)(pyridine-κN)(5,10,15,20-tetra-p-tolylporphyrinato- κ^4^N)ruthenium(II)
• Formula: C68 H51 N5 O2 Ru
• Calculated formula: C68 H51 N5 O2 Ru
• SMILES: O=C(C(=[Ru]123([n]4c5=C(c6ccc(C(=c7ccc(C(=c8ccc(=C(c4cc5)c4ccc(cc4)C)n18)c1ccc(cc1)C)[n]27)c1ccc(cc1)C)n36)c1ccc(cc1)C)[n]1ccccc1)C(=O)c1ccccc1)c1ccccc1
• Title of publication: The <i>trans</i> influence of the pyridine ligand on ruthenium(II)‒porphyrin‒carbene complexes
• Authors of publication: Harada, Tomoko; Wada, Satoko; Yuge, Hidetaka; Miyamoto, Takeshi Ken
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: m37 - m39
• a: 15.806 ± 0.002 Å
• b: 16.6172 ± 0.0018 Å
• c: 20.644 ± 0.002 Å
• α: 90°
• β: 95.872 ± 0.01°
• γ: 90°
• Cell volume: 5393.7 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.19
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes