Information card for entry 4322695

Structure parameters

• Chemical name: cis-1-[Nickel (II) 5-(2,3,7,8,12,13,17,18-octaethylporphyrinyl)]-2-[Copper (II) 5-(2,3,7,8,12,13,17,18-octaethylporphyrinyl)]ethene
• Formula: C74 H88 Cu N8 Ni
• Calculated formula: C74 H88 Cu N8 Ni
• SMILES: [Cu]123[n]4c5=Cc6n3c(C=c3[n]2c(C=c2n1c(=C(c4c(c5CC)CC)/C=C/C1=c4n5[Ni]78[n]9c(=Cc%10n8c(C=c8[n]7c(C=c5c(c4CC)CC)c(CC)c8CC)c(CC)c%10CC)c(CC)c(CC)c19)c(CC)c2CC)c(CC)c3CC)c(CC)c6CC
• Title of publication: Synthesis and Characterization of a Series of Monometallo-, Bimetallo-, and Heterobimetallo-1,2-Ethene-Linked Cofacial Bisporphyrins
• Authors of publication: Todd E. Clement; Daniel J. Nurco; Kevin M. Smith
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 1150 - 1160
• a: 21.169 ± 0.003 Å
• b: 13.875 ± 0.002 Å
• c: 22.66 ± 0.003 Å
• α: 90°
• β: 108.64 ± 0.09°
• γ: 90°
• Cell volume: 6307 ± 4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.1235
• Weighted residual factors for significantly intense reflections: 0.1201
• Goodness-of-fit parameter for all reflections: 1.084
• Goodness-of-fit parameter for significantly intense reflections: 1.11
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No