Crystallography Open Database

Information card for entry 2203385

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Structure parameters

Chemical name	Bis{μ-N-[(1-methylimidazol-2-yl)methyl]-β-alanine}bis[dichlorozinc(II)] dihydrate
Formula	C16 H30 Cl4 N6 O6 Zn2
Calculated formula	C16 H30 Cl4 N6 O6 Zn2
SMILES	c12C[NH2+]CCC(=O)O[Zn]([n]3c(C[NH2+]CCC(=O)O[Zn]([n]2ccn1C)(Cl)Cl)n(C)cc3)(Cl)Cl.O.O
Title of publication	Bis{μ-<i>N</i>-[(1-methylimidazol-2-yl)methyl]-β-alanine}bis[dichlorozinc(II)] dihydrate
Authors of publication	Yang, Shi-Ping; Chen, Hong-Mei; Zhang, Fan; Chen, Qiong Qiong; Yu, Xi-Bin
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	4
Pages of publication	m465 - m467
a	8.729 ± 0.001 Å
b	9.267 ± 0.001 Å
c	16.942 ± 0.001 Å
α	90°
β	99.52 ± 0.02°
γ	90°
Cell volume	1351.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1494
Residual factor for significantly intense reflections	0.0835
Weighted residual factors for significantly intense reflections	0.199
Weighted residual factors for all reflections included in the refinement	0.233
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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