Information card for entry 4346747

Structure parameters

• Formula: C74 H88 N8 Zn2
• Calculated formula: C74 H88 N8 Zn2
• SMILES: [Zn]123n4c5=C(c6[n]3c(=Cc3n2c(C=c2[n]1c(C=c4c(c5CC)CC)c(c2CC)CC)c(c3CC)CC)c(c6CC)CC)/C=C\C1=c2n3[Zn]45[n]6c(C=c3c(c2CC)CC)c(c(c6=Cc2n4c(c(c2CC)CC)C=c2[n]5c1c(c2CC)CC)CC)CC
• Title of publication: Effect of Two Interacting Rings in Metalloporphyrin Dimers upon Stepwise Oxidations.
• Authors of publication: Dey, Soumyajit; Sil, Debangsu; Pandit, Younis Ahmad; Rath, Sankar Prasad
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 3229 - 3238
• a: 11 ± 0.005 Å
• b: 12.095 ± 0.005 Å
• c: 23.23 ± 0.005 Å
• α: 81.987 ± 0.005°
• β: 82.363 ± 0.005°
• γ: 81.137 ± 0.005°
• Cell volume: 3004 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1005
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No