Information card for entry 4322641

Structure parameters

• Chemical name: zinc(II)-tetra(4-cyanophenyl)porphyrin chloroform solvate
• Formula: C49 H25 Cl3 N8 Zn
• Calculated formula: C48 H24 N8 Zn
• SMILES: c12n3[Zn]45[n]6c(C(=c7n5c(=C(c5ccc(=C1c1ccc(cc1)C#N)[n]45)c1ccc(cc1)C#N)cc7)c1ccc(cc1)C#N)ccc6=C(c3cc2)c1ccc(cc1)C#N
• 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: 25.368 ± 0.004 Å
• b: 8.089 ± 0.002 Å
• c: 22.425 ± 0.005 Å
• α: 90°
• β: 111.12 ± 0.01°
• γ: 90°
• Cell volume: 4292.5 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0832
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for all reflections: 0.2362
• Weighted residual factors for significantly intense reflections: 0.2061
• Goodness-of-fit parameter for all reflections: 0.598
• Goodness-of-fit parameter for significantly intense reflections: 0.61
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No