Information card for entry 7204308

Structure parameters

• Formula: C69 H68 N7 Si Zn
• Calculated formula: C69 H68 N7 Si Zn
• SMILES: [Zn]123(n4c5=C(N=Nc6ccc(cc6)C#C[Si](C)(C)C)c6[n]1c(=C(c1n2c(cc1)C=c1[n]3c(cc1)C(=c4cc5)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)cc6)[n]1ccccc1.CCCCC
• Title of publication: Making conjugated connections to porphyrins: a comparison of alkyne, alkene, imine and azo links
• Authors of publication: Screen, Thomas E. O.; Blake, Iain M.; Rees, Leigh H.; Clegg, William; Borwick, Simon J.; Anderson, Harry L.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2002
• Journal issue: 3
• Pages of publication: 320
• a: 13.393 ± 0.0007 Å
• b: 13.479 ± 0.0005 Å
• c: 17.948 ± 0.0009 Å
• α: 95.685 ± 0.003°
• β: 95.402 ± 0.002°
• γ: 104.11 ± 0.003°
• Cell volume: 3103.3 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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 significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No