Information card for entry 4322645

Structure parameters

• Chemical name: zinc(II)-tetra(4-cyanophenyl)porphyrin 2.5(anisole) solvate
• Formula: C65.5 H44 N8 O2.5 Zn
• Calculated formula: C62 H40 N8 O2 Zn
• SMILES: c12ccc3C(=c4ccc5C(=c6n7[Zn]([n]45)([n]4c(=C1c1ccc(cc1)C#N)ccc4C(=c7cc6)c1ccc(cc1)C#N)n23)c1ccc(cc1)C#N)c1ccc(cc1)C#N.c1(ccccc1)OC.c1(ccccc1)OC
• 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: 8.889 ± 0.002 Å
• b: 11.607 ± 0.002 Å
• c: 13.647 ± 0.003 Å
• α: 94.74 ± 0.01°
• β: 96.4 ± 0.02°
• γ: 90.27 ± 0.02°
• Cell volume: 1394.3 ± 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: 0.0656
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections: 0.1521
• Weighted residual factors for significantly intense reflections: 0.144
• Goodness-of-fit parameter for all reflections: 1.023
• Goodness-of-fit parameter for significantly intense reflections: 1.07
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No