Crystallography Open Database

Information card for entry 1513606

Preview

Coordinates	1513606.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C126 H84 La3 N3 O21
Calculated formula	C126 H84 La3 N3 O21
Title of publication	High CO2/N2/O2/CO separation in a chemically robust porous coordination polymer with low binding energy
Authors of publication	Duan, Jingui; Higuchi, Masakazu; Krishna, Rajamani; Kiyonaga, Tomokazu; Tsutsumi, Yosuke; Sato, Yohei; Kubota, Yoshiki; Takata, Masaki; Kitagawa, Susumu
Journal of publication	Chemical Science
Year of publication	2014
Journal volume	5
Journal issue	2
Pages of publication	660
a	34.2658 ± 0.0014 Å
b	34.2658 ± 0.0014 Å
c	21.8681 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	22236.3 ± 1.9 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	170
Hermann-Mauguin space group symbol	P 65
Hall space group symbol	P 65
Residual factor for significantly intense reflections	0.0905
Weighted residual factors for all reflections included in the refinement	0.2573
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1513606.cif
105084	2014-03-11	cif/ Adding structures of 1513606 via cif-deposit CGI script.	1513606.cif