Crystallography Open Database

Information card for entry 4516579

Preview

Coordinates	4516579.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H12 Gd2 K2 N0 O28
Calculated formula	C32 H12 Gd2 K2 O28
Title of publication	3D Lanthanide Metal‒Organic Frameworks Based on Mono-, Tri-, and Heterometallic Tetranuclear Clusters as Highly Selective and Sensitive Luminescent Sensor for Fe3+ and Cu2+ Ions
Authors of publication	Zhang, Huijie; Fan, Ruiqing; Chen, Wei; Fan, Jizhuang; Dong, Yuwei; Song, Yang; Du, Xi; Wang, Ping; Yang, Yulin
Journal of publication	Crystal Growth & Design
Year of publication	2016
Journal volume	16
Journal issue	9
Pages of publication	5429
a	11.003 ± 0.012 Å
b	12.486 ± 0.014 Å
c	15.925 ± 0.017 Å
α	100.091 ± 0.012°
β	106.028 ± 0.013°
γ	95.762 ± 0.013°
Cell volume	2045 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0847
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1593
Weighted residual factors for all reflections included in the refinement	0.1981
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
231384 (current)	2019-11-22	cif/ Adding structures of 4516579 via cif-deposit CGI script.	4516579.cif