Crystallography Open Database

Information card for entry 7219219

7219218 << 7219219 >> 7219220

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Coordinates	7219219.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H9 N3 O5
Calculated formula	C6 H9 N3 O5
Title of publication	Cadmium(II) complexes containing N,N´-dimethylvioluric acid as ligand or counteranion: Synthesis, characterization, crystal structures and DFT study
Authors of publication	Frontera, Antonio; Banik, Rupak; Roy, Subhadip; Bauza, Antonio; Das, Subrata
Journal of publication	RSC Adv.
Year of publication	2015
a	8.3766 ± 0.0008 Å
b	6.2427 ± 0.0006 Å
c	17.4768 ± 0.0017 Å
α	90°
β	102.314 ± 0.006°
γ	90°
Cell volume	892.88 ± 0.15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0563
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1397
Weighted residual factors for all reflections included in the refinement	0.149
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180523 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/92.	7219219.cif
129422	2015-01-07	cif/ Adding structures of 7219219, 7219220, 7219221 via cif-deposit CGI script.	7219219.cif