Information card for entry 4322646

Structure parameters

• Chemical name: zinc(II)-tetra(4-cyanophenyl)porphyrin tri(guaiacol) solvate
• Formula: C69 H48 N8 O6 Zn
• Calculated formula: C62 H38 N8 O4 Zn
• SMILES: c1(ccccc1OC)O.[Zn]123n4c5=C(c6[n]3c(=C(c3ccc(C(=c7[n]2c(C(=c4cc5)c2ccc(cc2)C#N)cc7)c2ccc(cc2)C#N)n13)c1ccc(cc1)C#N)cc6)c1ccc(cc1)C#N.c1(c(cccc1)OC)O
• Title of publication: Supramolecular Multiporphyrin Architecture. Coordination Polymers and Open Networks in Crystals of Tetrakis(4-cyanophenyl)- and Tetrakis(4-nitrophenyl)metalloporphyrin
• Authors of publication: R. Krishna Kumar; S. Balasubramanian; Israel Goldberg
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 541 - 552
• a: 8.87 ± 0.002 Å
• b: 12.406 ± 0.003 Å
• c: 12.985 ± 0.002 Å
• α: 85.89 ± 0.02°
• β: 86.91 ± 0.02°
• γ: 87.65 ± 0.02°
• Cell volume: 1422.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0678
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections: 0.1659
• Weighted residual factors for significantly intense reflections: 0.1563
• Goodness-of-fit parameter for all reflections: 1.08
• Goodness-of-fit parameter for significantly intense reflections: 1.112
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No