Crystallography Open Database

Information card for entry 7047288

Preview

Coordinates	7047288.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H15.67 Gd2 N3 O15.33
Calculated formula	C21 H15.66 Gd2 N3 O15.3333
Title of publication	A series of 3D lanthanide coordination polymers decorated with a rigid 3,5-pyridinedicarboxylic acid linker: syntheses, structural diversity, DFT study, Hirshfeld surface analysis, luminescence and magnetic properties
Authors of publication	Kumar, Manesh; Kariem, Mukaddus; Sheikh, Haq Nawaz; Frontera, Antonio; Seth, Saikat Kumar; Jassal, Amanpreet Kaur
Journal of publication	Dalton Transactions
Year of publication	2018
a	19.5746 ± 0.0002 Å
b	19.5746 ± 0.0002 Å
c	21.774 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	7225.28 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	146
Hermann-Mauguin space group symbol	R 3
Hall space group symbol	R 3
Residual factor for all reflections	0.0425
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.1257
Weighted residual factors for all reflections included in the refinement	0.1258
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation probe	x-ray
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
209839 (current)	2018-08-17	cif/ Adding structures of 7047283, 7047284, 7047285, 7047286, 7047287, 7047288 via cif-deposit CGI script.	7047288.cif