Crystallography Open Database

Information card for entry 7039490

Preview

Coordinates	7039490.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H54 F18 Nd2 O18 S12
Calculated formula	C60 H54 F18 Nd2 O18 S12
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	41.621 ± 0.004 Å
b	11.9064 ± 0.001 Å
c	16.7402 ± 0.0015 Å
α	90°
β	98.961 ± 0.002°
γ	90°
Cell volume	8194.5 ± 1.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1421
Residual factor for significantly intense reflections	0.0673
Weighted residual factors for significantly intense reflections	0.1524
Weighted residual factors for all reflections included in the refinement	0.1877
Goodness-of-fit parameter for all reflections included in the refinement	0.984
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
185504 (current)	2016-08-07	cif/ Updating files of 7039488, 7039489, 7039490 Original log message: Adding full bibliography for 7039488--7039490.cif.	7039490.cif
183392	2016-06-11	cif/ Adding structures of 7039488, 7039489, 7039490 via cif-deposit CGI script.	7039490.cif