Information card for entry 2200769

Structure parameters

• Chemical name: Aqua{5,15-bis[4-(2-trimethylsilylacetylene)phenyl]-2,8,12,18-tetrakis(2- methoxycarbonylethyl)-3,7,13,17-tetramethyl-10,20-dioxoporphyrinato}zinc(II)
• Formula: C62 H68 N4 O11 Si2 Zn
• Calculated formula: C62 H68 N4 O11 Si2 Zn
• Title of publication: Aqua{5,15-bis[4-(2-trimethylsilylacetylene)phenyl]-2,8,12,18-tetrakis(2-methoxycarbonylethyl)-3,7,13,17-tetramethyl-10,20-dioxoporphyrinato}zinc(II)
• Authors of publication: Bond, Andrew D.; Feeder, Neil; Teat, Simon J.; Clyde-Watson, Zoe; Bampos, Nick; Sanders, Jeremy K. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 10
• Pages of publication: m454 - m456
• a: 12.57 ± 0.002 Å
• b: 14.285 ± 0.003 Å
• c: 17.502 ± 0.004 Å
• α: 85.082 ± 0.01°
• β: 69.225 ± 0.012°
• γ: 87.07 ± 0.02°
• Cell volume: 2926.8 ± 1 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.6879 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No