Crystallography Open Database

Information card for entry 2206834

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Structure parameters

Chemical name	Aqua(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^N,N')(thiodiacetato- κ^3^O,S,O')cobalt(II) dihydrate
Formula	C10 H16 Co N4 O7 S3
Calculated formula	C10 H16 Co N4 O7 S3
SMILES	[Co]123(OC(=O)C[S]3CC(=O)O1)([OH2])[n]1c(N)scc1c1[n]2c(N)sc1.O.O
Title of publication	Aqua(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')(thiodiacetato-κ^3^<i>O</i>,<i>S</i>,<i>O</i>')cobalt(II) dihydrate
Authors of publication	Bing-Xin Liu; Jian-Yong Yu; Duan-Jun Xu
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	10
Pages of publication	m1978 - m1980
a	10.6918 ± 0.0011 Å
b	7.1329 ± 0.0007 Å
c	22.794 ± 0.002 Å
α	90°
β	102.538 ± 0.002°
γ	90°
Cell volume	1696.9 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.052
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.097
Weighted residual factors for all reflections included in the refinement	0.102
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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