Information card for entry 7008260

Structure parameters

• Formula: C12 H26 Cl2 F N5 O2
• Calculated formula: C12 H26 Cl2 F N5 O2
• Title of publication: Induction of B- to Z-DNA transition by copper and zinc complexes with C(15) substituted macrocyclic pentaaza ligands.
• Authors of publication: Spingler, Bernhard; Da Pieve, Chiara
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 9
• Pages of publication: 1637 - 1643
• a: 10.8155 ± 0.0005 Å
• b: 10.2095 ± 0.0005 Å
• c: 16.5041 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1822.4 ± 0.17 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No