Crystallography Open Database

Information card for entry 7225896

Preview

Coordinates	7225896.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H20 Cl6 Mg O12
Calculated formula	C16 H20 Cl6 Mg O12
SMILES	[Mg](OC(=O)COc1c(cc(cc1Cl)Cl)Cl)(OC(=O)COc1c(cc(cc1Cl)Cl)Cl)([OH2])([OH2])([OH2])[OH2].O.O
Title of publication	Eco-friendly Microwave Synthesis of Mg(II) Phenoxy Carboxylic Acid Coordination Compounds with Specific Motifs Driven by Multiple Hydrogen Bonding
Authors of publication	Xu, Xiuling; Hu, Fan; Yan, Sai sai; Lin, Jian guang; Li, Qing; Shuai, Qi
Journal of publication	RSC Adv.
Year of publication	2016
a	6.8882 ± 0.0014 Å
b	8.7091 ± 0.0018 Å
c	44.043 ± 0.009 Å
α	90°
β	94.482 ± 0.005°
γ	90°
Cell volume	2634.1 ± 0.9 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.0685
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1545
Weighted residual factors for all reflections included in the refinement	0.1666
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
184386 (current)	2016-07-12	cif/ Adding structures of 7225896, 7225897, 7225898, 7225899 via cif-deposit CGI script.	7225896.cif