Crystallography Open Database

Information card for entry 7115843

Preview

Coordinates	7115843.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C176 H240 Cl2 N34 O8
Calculated formula	C176 H240 Cl2 N34 O8
Title of publication	Quantifying chloride binding and salt extraction with poly(methyl methacrylate) copolymers bearing aryl-triazoles as anion receptor side chains
Authors of publication	Kevin P. McDonald; Bo Qiao; Eric B. Twum; Semin Lee; Patrick J. Gamache; Chun-Hsing Chen; Yi Yi; Amar H. Flood
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	13285
a	20.868 ± 0.004 Å
b	22.184 ± 0.004 Å
c	22.207 ± 0.005 Å
α	79.546 ± 0.003°
β	81.047 ± 0.004°
γ	77.042 ± 0.003°
Cell volume	9781 ± 3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1685
Residual factor for significantly intense reflections	0.0717
Weighted residual factors for all reflections	0.2423
Weighted residual factors for significantly intense reflections	0.1864
Weighted residual factors for all reflections included in the refinement	0.2423
Goodness-of-fit parameter for all reflections included in the refinement	0.8877
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7115843.cif
127733	2014-11-21	cif/ Adding structures of 7115843 via cif-deposit CGI script.	7115843.cif