Crystallography Open Database

Information card for entry 2006102

2006101 << 2006102 >> 2006103

Preview

Coordinates	2006102.cif

Structure parameters

Formula	C6 H11 Br Cu N2 O3
Calculated formula	C6 H11 Br Cu N2 O3
SMILES	Br[Cu]12([O]=C(N)CC[NH]2[C@H](C(=O)O1)C)[O]=C1O[Cu]2(Br)[O]=C(N)CC[NH]2[C@H]1C
Title of publication	Two Isomeric Bis(n-propionamidoalaninato)copper(II) Hydrate Complexes, [Cu(C~6~H~11~N~2~O~3~)~2~].H~2~O
Authors of publication	Chen, Wei; Lim, Meng-chay
Journal of publication	Acta Crystallographica Section C
Year of publication	1997
Journal volume	53
Pages of publication	539 - 543
a	6.8175 ± 0.0008 Å
b	10.762 ± 0.002 Å
c	13.71 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1006 ± 0.3 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0516
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.