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Information card for entry 7229990
Preview
Coordinates | 7229990.cif |
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Original paper (by DOI) | HTML |
Common name | none |
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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 Å3 |
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 |
Revision | Date | Message | Files |
---|---|---|---|
230973 (current) | 2019-11-17 | cif/ Updating files of 7229990, 7229991, 7229992 Original log message: Adding full bibliography for 7229990--7229992.cif. |
7229990.cif |
205299 | 2018-01-17 | cif/ Adding structures of 7229990, 7229991, 7229992 via cif-deposit CGI script. |
7229990.cif |
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Users of the data should acknowledge the original authors of the
structural data.