Crystallography Open Database

Information card for entry 7111762

Preview

Coordinates	7111762.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H78 Cl2 O14
Calculated formula	C78 H78 Cl2 O14
Title of publication	Metal‒organic frameworks with designed chiral recognition sites
Authors of publication	Valente, Cory; Choi, Eunwoo; Belowich, Matthew E.; Doonan, Christian J.; Li, Qiaowei; Gasa, Travis B.; Botros, Youssry Y.; Yaghi, Omar M.; Stoddart, J. Fraser
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	27
Pages of publication	4911 - 4913
a	8.4002 ± 0.0001 Å
b	14.266 ± 0.0002 Å
c	15.282 ± 0.0003 Å
α	101.548 ± 0.001°
β	92.22 ± 0.001°
γ	101.721 ± 0.001°
Cell volume	1750.84 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.062
Residual factor for significantly intense reflections	0.0599
Weighted residual factors for significantly intense reflections	0.1785
Weighted residual factors for all reflections included in the refinement	0.1838
Goodness-of-fit parameter for all reflections included in the refinement	0.891
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180231 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/17.	7111762.cif
96770	2014-01-29	cif/ Adding structures of 7111762 via cif-deposit CGI script.	7111762.cif