Crystallography Open Database

Information card for entry 7039489

Preview

Coordinates	7039489.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H54 F18 Nd2 O19 S10
Calculated formula	C50 H54 F18 Nd2 O19 S10
Title of publication	Insight into the roles of structures and energy levels of mono- and bis-β-diketones on sensitizing Nd(iii) NIR-luminescence.
Authors of publication	Li, Bing; Li, Hongfeng; Chen, Peng; Sun, Wenbin; Wang, Cheng; Gao, Ting; Yan, Pengfei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	28
Pages of publication	11459 - 11470
a	19.7938 ± 0.0005 Å
b	28.2072 ± 0.0005 Å
c	15.0963 ± 0.0004 Å
α	90°
β	118.891 ± 0.004°
γ	90°
Cell volume	7379.7 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0465
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0706
Weighted residual factors for all reflections included in the refinement	0.0795
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
185504 (current)	2016-08-07	cif/ Updating files of 7039488, 7039489, 7039490 Original log message: Adding full bibliography for 7039488--7039490.cif.	7039489.cif
183392	2016-06-11	cif/ Adding structures of 7039488, 7039489, 7039490 via cif-deposit CGI script.	7039489.cif