Crystallography Open Database

Information card for entry 4510738

Preview

Coordinates	4510738.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H26 Br N O6 Zn
Calculated formula	C31 H26 Br N O6 Zn
Title of publication	Tuning the Hydrophobicity of Zinc Dipyridyl Paddlewheel Metal‒Organic Frameworks for Selective Sorption
Authors of publication	Weston, Mitchell H.; Delaquil, Amelia A.; Sarjeant, Amy A.; Farha, Omar K.; Hupp, Joseph T.; Nguyen, SonBinh T.
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	7
Pages of publication	2938
a	11.0629 ± 0.0006 Å
b	15.9543 ± 0.0008 Å
c	18.2692 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	3224.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	47
Hermann-Mauguin space group symbol	P m m m
Hall space group symbol	-P 2 2
Residual factor for all reflections	0.0961
Residual factor for significantly intense reflections	0.0866
Weighted residual factors for significantly intense reflections	0.2327
Weighted residual factors for all reflections included in the refinement	0.2405
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
179654 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/07.	4510738.cif
113139	2014-05-08	cif/ Adding structures of 4510738 via cif-deposit CGI script.	4510738.cif