Information card for entry 4322698

Structure parameters

• Chemical name: cis-1,2-Bis[Cobalt(II) 5-(2,3,7,8,12,13,17,18-octaethylporphyrinyl)]ethene
• Formula: C74 H88 Co2 N8
• Calculated formula: C74 H88 Co2 N8
• SMILES: [Co]123n4c5=Cc6[n]3c(=Cc3n2c(C=c2[n]1c(C(=c4c(c5CC)CC)/C=C/C1=c4n5[Co]78[n]9c1c(CC)c(CC)c9=Cc1n7c(c(c1CC)CC)C=c1[n]8c(c(c1CC)CC)C=c5c(CC)c4CC)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: 21.097 ± 0.015 Å
• b: 14.12 ± 0.005 Å
• c: 22.987 ± 0.011 Å
• α: 90°
• β: 108.59 ± 0.04°
• γ: 90°
• Cell volume: 6490 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0923
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections: 0.186
• Weighted residual factors for significantly intense reflections: 0.1577
• Goodness-of-fit parameter for all reflections: 1.037
• Goodness-of-fit parameter for significantly intense reflections: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No