Crystallography Open Database

Information card for entry 2204344

2204343 << 2204344 >> 2204345

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Structure parameters

Chemical name	Aqua(2,2'-diamino-4,4'-bi-1,3-thiazole)(oxydiacetato-κ^3^O,O',O'')cadmium(II) trihydrate
Formula	C10 H18 Cd N4 O9 S2
Calculated formula	C10 H18 Cd N4 O9 S2
SMILES	[Cd]123(OC(=O)C[O]1CC(=O)O2)([OH2])[n]1c(scc1c1[n]3c(sc1)N)N.O.O.O
Title of publication	Aqua(2,2'-diamino-4,4'-bi-1,3-thiazole)(oxydiacetato-κ^3^<i>O,O</i>',<i>O</i>'')cadmium(II) trihydrate
Authors of publication	Bing-Xin Liu; Yi-Guang Tian; Duan-Jun Xu
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	10
Pages of publication	m1453 - m1455
a	7.1804 ± 0.0009 Å
b	9.8372 ± 0.0012 Å
c	12.6069 ± 0.0015 Å
α	81.478 ± 0.002°
β	86.528 ± 0.002°
γ	89.76 ± 0.002°
Cell volume	879.03 ± 0.19 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.035
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.069
Weighted residual factors for all reflections included in the refinement	0.071
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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