Information card for entry 7715448

Structure parameters

• Formula: C89 H96 Cl2 Cu2 N10
• Calculated formula: C89 H96 Cl2 Cu2 N10
• SMILES: [Cu]123[n]4c5=C(c6n3c(C=c3[n]2c(C=c2n1c(=Cc4c(c5CC)CC)c(c2CC)CC)c(c3CC)CC)c(c6CC)CC)C=c1[n]c(cc1)C(c1c(Cl)cccc1Cl)=c1[nH]c(cc1)=CC1=c2[n]3[Cu]45n6c(=Cc3c(c2CC)CC)c(c(c6=Cc2[n]4c(=Cc3n5c1c(c3CC)CC)c(c2CC)CC)CC)CC
• Title of publication: Reversible open-closed conformational switching of nano-size metalloporphyrin dimers triggered by light and temperature.
• Authors of publication: Shah, Syed Jehanger; Singh, Ajitesh; Goswami, Debabrata; Ishida, Masatoshi; Rath, Sankar Prasad
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 15
• Pages of publication: 6758 - 6765
• a: 15.009 ± 0.004 Å
• b: 15.233 ± 0.004 Å
• c: 20.268 ± 0.006 Å
• α: 69.854 ± 0.008°
• β: 74.768 ± 0.008°
• γ: 64.853 ± 0.007°
• Cell volume: 3901 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1147
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for significantly intense reflections: 0.1699
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No