Crystallography Open Database

Information card for entry 7217665

Preview

Coordinates	7217665.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H28 Fe N13 O
Calculated formula	C34 H18 Fe N13 O
Title of publication	A new strategy to construct metal‒organic frameworks with ultrahigh chemical stability
Authors of publication	Xu, Lei; Wang, Jintao; Xu, Yan; Zhang, Zaiyong; Lu, Ping; Fang, Min; Li, Shunli; Sun, Peipei; Liu, Hong-Ke
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	37
Pages of publication	8656
a	11.734 ± 0.005 Å
b	11.967 ± 0.005 Å
c	12.461 ± 0.005 Å
α	90°
β	114.528 ± 0.007°
γ	90°
Cell volume	1591.9 ± 1.1 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1353
Residual factor for significantly intense reflections	0.0887
Weighted residual factors for significantly intense reflections	0.2326
Weighted residual factors for all reflections included in the refinement	0.2637
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
180507 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/76.	7217665.cif
123417	2014-09-08	cif/ Updating files of 7217665 Original log message: Adding full bibliography for 7217665.cif.	7217665.cif
121879	2014-08-12	cif/ Adding structures of 7217665 via cif-deposit CGI script.	7217665.cif