Information card for entry 7038683

Structure parameters

• Chemical name: (E)-1,2-bis(5-chloro-4-(trifluoromethyl)pyridin-2-yl)diazene
• Formula: C12 H4 Cl2 F6 N4
• Calculated formula: C12 H4 Cl2 F6 N4
• SMILES: c1c(Cl)c(cc(n1)/N=N/c1cc(c(cn1)Cl)C(F)(F)F)C(F)(F)F
• Title of publication: Red-light activated photoCORMs of Mn(i) species bearing electron deficient 2,2'-azopyridines.
• Authors of publication: Kottelat, E.; Ruggi, A.; Zobi, F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 6920 - 6927
• a: 4.7813 ± 0.0005 Å
• b: 6.6169 ± 0.0007 Å
• c: 11.691 ± 0.0012 Å
• α: 75.795 ± 0.008°
• β: 86.893 ± 0.008°
• γ: 88.052 ± 0.008°
• Cell volume: 357.95 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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 all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No