Information card for entry 7229991

Structure parameters

• Common name: none
• Formula: C22 H39 Cl3 Cu2 N16 O9
• Calculated formula: C22 H39 Cl3 Cu2 N16 O9
• Title of publication: A new triazine bearing a pyrazolone group capable of copper, nickel, and zinc chelation.
• Authors of publication: Yepremyan, Akop; Mehmood, Arshad; Brewer, Samantha; Barnett, Madalyn M.; Janesko, Benjamin G.; Akkaraju, Giridhar; Simanek, Eric E.; Green, Kayla N.
• Journal of publication: RSC advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 6
• Pages of publication: 3024 - 3035
• a: 11.3979 ± 0.0006 Å
• b: 12.0551 ± 0.0007 Å
• c: 13.6836 ± 0.0007 Å
• α: 97.586 ± 0.002°
• β: 103.997 ± 0.002°
• γ: 106.156 ± 0.002°
• Cell volume: 1711.75 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0565
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No