Information card for entry 4331515

Structure parameters

• Formula: C38 H48 Cl2 N6 O4 Zn
• Calculated formula: C38 H48 Cl2 N6 O4 Zn
• SMILES: CC1(C[NH]2CC[NH]3CC(C)(C[NH]4CC[NH](C1)[Zn]234(OCl(=O)(=O)=O)Cl)NCc1cccc2ccccc12)NCc1c2ccccc2cc2ccccc12
• Title of publication: Electronic Energy-Transfer Rate Constants for Geometrical Isomers of a Bichromophoric Macrocyclic Complex
• Authors of publication: Moore, Evan G.; Bernhardt, Paul V.; Riley, Mark J.; Smith, Trevor A.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 51 - 58
• a: 35.268 ± 0.009 Å
• b: 10.22 ± 0.001 Å
• c: 23.539 ± 0.006 Å
• α: 90°
• β: 118.69 ± 0.02°
• γ: 90°
• Cell volume: 7443 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.4763
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.2146
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No