Crystallography Open Database

Information card for entry 1516282

Preview

Coordinates	1516282.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H60 Cd2 N10 O21
Calculated formula	C54 H40 Cd2 N8 O16
Title of publication	A polyrotaxane-like metal‒organic framework exhibiting luminescent sensing of Eu3+cations and proton conductivity
Authors of publication	Song, Bai-Qiao; Wang, Xin-Long; Yang, Guang-Sheng; Wang, Hai-Ning; Liang, Jun; Shao, Kui-Zhan; Su, Zhong-Min
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	30
Pages of publication	6882
a	47.182 ± 0.005 Å
b	9.857 ± 0.005 Å
c	32.787 ± 0.005 Å
α	90 ± 0.005°
β	101.008 ± 0.005°
γ	90 ± 0.005°
Cell volume	14968 ± 8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0706
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1196
Weighted residual factors for all reflections included in the refinement	0.1283
Goodness-of-fit parameter for all reflections included in the refinement	0.963
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516282.cif
121585	2014-08-08	cif/ Updating files of 1516282 Original log message: Adding full bibliography for 1516282.cif.	1516282.cif
114432	2014-05-24	cif/ Adding structures of 1516282 via cif-deposit CGI script.	1516282.cif