Information card for entry 7005782

Structure parameters

• Formula: C58 H72 N16 O1.5 S4 Zn2
• Calculated formula: C58 H72 N16 O1.5 S4 Zn2
• Title of publication: Designing Zn(II) and Cu(II) derivatives as probes for in vitro fluorescence imaging.
• Authors of publication: Pascu, Sofia I.; Waghorn, Philip A.; Conry, Timothy D.; Betts, Helen M.; Dilworth, Jonathan R.; Churchill, Grant C.; Pokrovska, Tzveta; Christlieb, Martin; Aigbirhio, Franklin I.; Warren, John E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 43
• Pages of publication: 4988 - 4997
• a: 13.752 ± 0.001 Å
• b: 15.1762 ± 0.0011 Å
• c: 15.7383 ± 0.0011 Å
• α: 82.309 ± 0.001°
• β: 74.408 ± 0.001°
• γ: 68.634 ± 0.001°
• Cell volume: 2944 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1018
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0479
• Diffraction radiation wavelength: 0.6709 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No