Crystallography Open Database

Information card for entry 7226685

Preview

Coordinates	7226685.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H48 N4 O24 S4 Zn6
Calculated formula	C112 H48 N4 O24 S4 Zn6
Title of publication	Structural response to desolvation in a pyridyl-phenanthrene diarylethene-based metal‒organic framework
Authors of publication	Walton, Ian M.; Cox, Jordan M.; Mitchell, Travis B.; Bizier, Nicholas P.; Benedict, Jason B.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	41
Pages of publication	7972
a	39.751 ± 0.004 Å
b	9.7399 ± 0.0011 Å
c	18.388 ± 0.002 Å
α	90°
β	91.374 ± 0.004°
γ	90°
Cell volume	7117.2 ± 1.3 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 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	0.1081
Residual factor for significantly intense reflections	0.079
Weighted residual factors for significantly intense reflections	0.2163
Weighted residual factors for all reflections included in the refinement	0.2305
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation probe	x-ray
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
188073 (current)	2016-11-08	cif/ Updating files of 7226684, 7226685 Original log message: Adding full bibliography for 7226684--7226685.cif.	7226685.cif
186866	2016-10-01	cif/ Adding structures of 7226684, 7226685 via cif-deposit CGI script.	7226685.cif