Crystallography Open Database

Information card for entry 7223005

Preview

Coordinates	7223005.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H54 F18 O18 S12 Yb2
Calculated formula	C60 H54 F18 O18 S12 Yb2
Title of publication	Enhancement of near-infrared luminescence of ytterbium in triple-stranded binuclear helicates.
Authors of publication	Li, Bing; Li, Hongfeng; Chen, Peng; Sun, Wenbin; Wang, Cheng; Gao, Ting; Yan, Pengfei
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2015
Journal volume	17
Journal issue	45
Pages of publication	30510 - 30517
a	41.711 ± 0.006 Å
b	11.8124 ± 0.0017 Å
c	16.553 ± 0.002 Å
α	90°
β	98.582 ± 0.003°
γ	90°
Cell volume	8064.5 ± 1.9 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	0.1101
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1614
Weighted residual factors for all reflections included in the refinement	0.1909
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7223005.cif
171362	2015-12-09	cif/ Updating files of 7223005, 7223006 Original log message: Adding full bibliography for 7223005--7223006.cif.	7223005.cif
169667	2015-10-22	cif/ Adding structures of 7223005, 7223006 via cif-deposit CGI script.	7223005.cif