Information card for entry 7229990

Structure parameters

• Common name: none
• Formula: C22 H32 Cl2 N16 Ni O7
• Calculated formula: C22 H32 Cl2 N16 Ni O7
• 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: 12.261 ± 0.003 Å
• b: 12.784 ± 0.004 Å
• c: 13.598 ± 0.004 Å
• α: 74.133 ± 0.008°
• β: 70.006 ± 0.008°
• γ: 64.47 ± 0.007°
• Cell volume: 1787.3 ± 0.9 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: 0.1972
• Residual factor for significantly intense reflections: 0.1218
• Weighted residual factors for significantly intense reflections: 0.3076
• Weighted residual factors for all reflections included in the refinement: 0.3581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No