Information card for entry 2020698

Structure parameters

• Chemical name: <i>catena</i>-Poly[[carbonylruthenium(II)]-μ-2,7,12,17-tetrakis[2-(ethoxycarbonyl)ethyl]-3,8,13,18-tetramethylporphyrinato-κ^5^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''':<i>O</i>]
• Formula: C45 H52 N4 O9 Ru
• Calculated formula: C45 H52 N4 O9 Ru
• SMILES: [Ru]123(n4c5=Cc6[n]3c(=Cc3n2c(C=c2[n]1c(C=c4c(c5CCC(=O)OCC)C)c(c2C)CCC(=O)OCC)c(c3C)CCC(=O)OCC)c(c6C)CCC(=O)OCC)(C#[O])[O]=C(CCc1c2[n]3[Ru]45([n]6c(=Cc7n5c(C=c3c1C)c(c7C)CCC(=O)OCC)c(c(c6C=c1n4c(=C2)c(c1CCC(=O)OCC)C)C)CCC(=O)OCC)C#[O])OCC
• Title of publication: Polymeric structure of a coproporphyrin I ruthenium(II) complex: a powder diffraction study
• Authors of publication: Andreev, Sergey V.; Zverev, Sergey A.; Zamilatskov, Ilya A.; Kurochkina, Nadezhda M.; Ponomarev, Gelii V.; Fitch, Andrew N.; Chernyshev, Vladimir V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 1
• Pages of publication: 47 - 51
• a: 39.3876 ± 0.0019 Å
• b: 9.6153 ± 0.0008 Å
• c: 29.5299 ± 0.0016 Å
• α: 90°
• β: 130.719 ± 0.007°
• γ: 90°
• Cell volume: 8476.3 ± 1.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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
• Goodness-of-fit parameter for all reflections: 3.0929
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.399927 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes