Information card for entry 7229992

Structure parameters

• Common name: none
• Formula: C22 H33 Cl N16 O13 Zn
• Calculated formula: C22 H33 Cl N16 O13 Zn
• 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: 12.4036 ± 0.0008 Å
• b: 19.8086 ± 0.0013 Å
• c: 14.3748 ± 0.0009 Å
• α: 90°
• β: 91.559 ± 0.002°
• γ: 90°
• Cell volume: 3530.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1249
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.1627
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No