Crystallography Open Database

Information card for entry 8102582

Preview

Coordinates	8102582.cif

Structure parameters

Chemical name	Cd(4-DNPO)~2~(H~2~O)~4~
Formula	C10 H12 Cd N6 O16
Calculated formula	C10 H12 Cd N6 O16
Title of publication	Crystal structure of tetraaquabis(3,5-dinitropyrid-4-one-N-hydroxide)cadmium(II), Cd(H2O)4(C5H2N3O6)2
Authors of publication	Xu Wang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	2
Pages of publication	239
a	8.5072 ± 0.001 Å
b	10.2254 ± 0.0011 Å
c	10.5075 ± 0.0012 Å
α	90°
β	96.65 ± 0.001°
γ	90°
Cell volume	907.89 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.023
Residual factor for significantly intense reflections	0.0202
Weighted residual factors for significantly intense reflections	0.0542
Weighted residual factors for all reflections included in the refinement	0.0566
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102582.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102582.cif
13321	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102582 via cif-deposit CGI script.	8102582.cif