Information card for entry 4322643

Structure parameters

• Chemical name: copper(II)-tetra(4-cyanophenyl)porphyrin dichloroform solvate
• Formula: C50 H26 Cl6 Cu N8
• Calculated formula: C48 H24 Cu N8
• SMILES: [Cu]123n4c5=C(c6[n]3c(=C(c3n2c(C(=c2[n]1c(C(=c4cc5)c1ccc(cc1)C#N)cc2)c1ccc(cc1)C#N)cc3)c1ccc(cc1)C#N)cc6)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: 9.656 ± 0.002 Å
• b: 15.111 ± 0.004 Å
• c: 17.261 ± 0.003 Å
• α: 115.36 ± 0.02°
• β: 95.51 ± 0.01°
• γ: 95.1 ± 0.02°
• Cell volume: 2241.6 ± 0.9 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: 0.0842
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections: 0.1792
• Weighted residual factors for significantly intense reflections: 0.1622
• Goodness-of-fit parameter for all reflections: 0.694
• Goodness-of-fit parameter for significantly intense reflections: 0.756
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No