Crystallography Open Database

Information card for entry 7059274

Preview

Coordinates	7059274.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H31.5 Cl2 Mn N10 O10.75
Calculated formula	C20 H31.5 Cl2 Mn N10 O10.75
Title of publication	Theoretical and experimental study of the coordination ability of 4,6-dimethylpyrimidinylhydrazone diacetylmonooxime towards Ni(ii), Mn(ii), Fe(iii) and Co(iii) ions
Authors of publication	Lukov, Vladimir V.; Tsaturyan, Arshak A.; Tupolova, Yulia P.; Popov, Leonid D.; Shcherbakov, Igor N.; Lebedev, Vladimir E.; Askalepova, Olga I.; Lastovina, Tatiana A.; Lazarenko, Vladimir A.; Khustalev, Victor N.; Poler, Jordan C.
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	5
Pages of publication	2146 - 2154
a	12.89 ± 0.003 Å
b	15.01 ± 0.003 Å
c	15.15 ± 0.003 Å
α	94.9 ± 0.03°
β	91.49 ± 0.03°
γ	96.56 ± 0.03°
Cell volume	2899.5 ± 1.1 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	0.0573
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.129
Weighted residual factors for all reflections included in the refinement	0.1359
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.7927 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
257711 (current)	2020-10-06	cif/ Updating files of 7059271, 7059272, 7059273, 7059274 Original log message: Adding full bibliography for 7059271--7059274.cif.	7059274.cif
247556	2020-02-04	cif/ Adding structures of 7059271, 7059272, 7059273, 7059274 via cif-deposit CGI script.	7059274.cif