Information card for entry 7203541

Structure parameters

• Formula: C64 H43 N7 O9 Ru
• Calculated formula: C64 H43 N7 O9 Ru
• SMILES: [Ru]123(n4c5=C(c6ccc(=C(c7ccc(C(=c8ccc(C(=c4cc5)c4ccc(cc4)C(=O)O)[n]18)c1ccc(cc1)C(=O)O)n27)c1ccc(cc1)C(=O)O)[n]36)c1ccc(cc1)C(=O)O)(C#[O])[n]1ccccc1.n1ccccc1.n1ccccc1
• Title of publication: The effects of strong Lewis-base reagents on supramolecular hydrogen bonding of meso-tetra(carboxyphenyl)porphyrins
• Authors of publication: Lipstman, Sophia; Muniappan, Sankar; George, Sumod; Goldberg, Israel
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 8
• Pages of publication: 601
• a: 13.523 ± 0.0006 Å
• b: 16.0078 ± 0.0006 Å
• c: 18.4755 ± 0.0009 Å
• α: 108.332 ± 0.0018°
• β: 93.617 ± 0.002°
• γ: 106.441 ± 0.003°
• Cell volume: 3590.1 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1026
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.2025
• Weighted residual factors for all reflections included in the refinement: 0.2154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No