Crystallography Open Database

Information card for entry 4327848

Preview

Coordinates	4327848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H16 Gd N3 O14
Calculated formula	C6 H16 Gd N3 O14
SMILES	[Gd]12345(ON(=[O]2)=O)(ON(=[O]1)=O)([O]=N(=O)O4)([OH][C@@H]([C@@H]([OH]3)CO)C[OH]5)[OH]CC.[Gd]12345(ON(=[O]2)=O)(ON(=[O]1)=O)([O]=N(=O)O4)([OH][C@H]([C@H]([OH]3)CO)C[OH]5)[OH]CC
Title of publication	Interactions between Metal Ions and Carbohydrates. Spectroscopic Characterization and the Topology Coordination Behavior of Erythritol with Trivalent Lanthanide Ions
Authors of publication	Limin Yang; Xiaohui Hua; Junhui Xue; Qinghua Pan; Lei Yu; Weihong Li; Yizhuang Xu; Guozhong Zhao; Liming Liu; Kexin Liu; Jia'er Chen; Jinguang Wu
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	499 - 510
a	7.8146 ± 0.0016 Å
b	12.839 ± 0.003 Å
c	15.207 ± 0.003 Å
α	90°
β	100.68 ± 0.03°
γ	90°
Cell volume	1499.3 ± 0.6 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 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	0.0425
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0809
Weighted residual factors for all reflections included in the refinement	0.0835
Goodness-of-fit parameter for all reflections included in the refinement	1.115
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
179381 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/78.	4327848.cif
76770	2013-03-21	cif/ Adding structures of 4327848 via cif-deposit CGI script.	4327848.cif