Crystallography Open Database

Information card for entry 7233132

Preview

Coordinates	7233132.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H26 Gd N6 O14
Calculated formula	C27 H27 Gd N6 O14
SMILES	[Gd]123456([n]7c(C(=O)O3)cccc7C(=O)O2)([n]2c(cccc2C(=O)O5)C(=O)O1)[n]1c(C(=O)O6)cccc1C(=O)O4.C[NH2+]C.O.[NH2+](C)C.C[NH2+]C.O
Title of publication	Full-colour fluorescent materials based on mixed-lanthanide(III) metal-organic complexes with high-efficiency white light emission
Authors of publication	Huabin Zhang; Xiaochen Shan; Liujiang Zhou; Ping Lin; Renfu Li; En Ma; Xiangguang Guo; Shaowu Du
Journal of publication	Journal of Materials Chemistry C
Year of publication	2013
Journal volume	1
Pages of publication	888 - 891
a	10.701 ± 0.002 Å
b	16.98 ± 0.004 Å
c	18.627 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3384.6 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P c 21 n
Hall space group symbol	P -2n -2ac
Residual factor for all reflections	0.0374
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.0821
Weighted residual factors for all reflections included in the refinement	0.1066
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
217042 (current)	2019-07-15	cif/ Adding structures of 7233132 via cif-deposit CGI script.	7233132.cif