Crystallography Open Database

Information card for entry 7060223

Preview

Coordinates	7060223.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 Cu N5 O13 Sm
Calculated formula	C20 H22 Cu N5 O13 Sm
Title of publication	Ligand influence versus electronic configuration of d-metal ion in determining the fate of NIR emission from LnIII ions: a case study with CuII, NiII and ZnII complexes
Authors of publication	Verma, Abhineet; Hossain, S. K. Saddam; Sunkari, Sailaja S.; Reibenspies, Joseph; Saha, Satyen
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	5
Pages of publication	2696 - 2709
a	11.8697 ± 0.0011 Å
b	14.6939 ± 0.001 Å
c	14.8613 ± 0.0014 Å
α	90°
β	101.23 ± 0.004°
γ	90°
Cell volume	2542.4 ± 0.4 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0415
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0646
Weighted residual factors for all reflections included in the refinement	0.0705
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
262684 (current)	2021-03-05	cif/ Updating files of 7060214, 7060215, 7060216, 7060217, 7060218, 7060219, 7060220, 7060221, 7060222, 7060223 Original log message: Adding full bibliography for 7060214--7060223.cif.	7060223.cif
260183	2020-12-29	cif/ Adding structures of 7060214, 7060215, 7060216, 7060217, 7060218, 7060219, 7060220, 7060221, 7060222, 7060223 via cif-deposit CGI script.	7060223.cif