Information card for entry 4322697

Structure parameters

• Chemical name: cis-1-[Copper(II) 5-(2,3,7,8,12,13,17,18-octaethylporphyrinyl)]-2-[5- (2,3,7,8,12,13,17,18-octaethylporphyrinyl)]ethene
• Formula: C74 H90 Cu N8
• Calculated formula: C74 H88 Cu0.9931 N8
• 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: 19.695 ± 0.005 Å
• b: 14.427 ± 0.003 Å
• c: 24.679 ± 0.006 Å
• α: 90°
• β: 112.72 ± 0.02°
• γ: 90°
• Cell volume: 6468 ± 3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections: 0.1235
• Weighted residual factors for significantly intense reflections: 0.118
• Goodness-of-fit parameter for all reflections: 1.086
• Goodness-of-fit parameter for significantly intense reflections: 1.121
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No