Crystallography Open Database

Information card for entry 1518341

Preview

Coordinates	1518341.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H92 Cd3 N8 O23
Calculated formula	C80 H74 Cd3 N6 O21
Title of publication	An ultrastable porous metal‒organic framework luminescent switch towards aromatic compounds
Authors of publication	Yi, Fei-Yan; Wang, Ying; Li, Jian-Ping; Wu, Dai; Lan, Ya-Qian; Sun, Zhong-Ming
Journal of publication	Mater. Horiz.
Year of publication	2015
Journal volume	2
Journal issue	2
Pages of publication	245
a	31.136 ± 0.009 Å
b	20.048 ± 0.006 Å
c	15.849 ± 0.004 Å
α	90°
β	108.347 ± 0.005°
γ	90°
Cell volume	9390 ± 5 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.1211
Residual factor for significantly intense reflections	0.0841
Weighted residual factors for significantly intense reflections	0.2592
Weighted residual factors for all reflections included in the refinement	0.2854
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
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.	1518341.cif
133571	2015-03-06	cif/ Updating files of 1518341 Original log message: Adding full bibliography for 1518341.cif.	1518341.cif
127980	2014-11-28	cif/ Adding structures of 1518341 via cif-deposit CGI script.	1518341.cif