Information card for entry 7032819

Structure parameters

• Formula: C27.5 H42 Cl5 N7 O3.5 Zn2.5
• Calculated formula: C27.5 H38 Cl5 N7 O3.5 Zn2.5
• Title of publication: Syntheses of polypyridyl metal complexes and studies of their interaction with quadruplex DNA.
• Authors of publication: Stafford, Verity S.; Suntharalingam, Kogularamanan; Shivalingam, Arun; White, Andrew J. P.; Mann, David J.; Vilar, Ramon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 8
• Pages of publication: 3686 - 3700
• a: 14.9174 ± 0.0004 Å
• b: 15.4884 ± 0.0005 Å
• c: 18.5245 ± 0.0005 Å
• α: 69.026 ± 0.003°
• β: 81.075 ± 0.002°
• γ: 63.677 ± 0.003°
• Cell volume: 3582 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0475
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No