Crystallography Open Database

Information card for entry 4335504

Preview

Coordinates	4335504.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H50 La2 N8 O20
Calculated formula	C66 H50 La2 N8 O20
Title of publication	A Family of Rare Earth Porous Coordination Polymers with Different Flexibility for CO2/C2H4 and CO2/C2H6 Separation
Authors of publication	Jingui Duan; Masakazu Higuchi; Maw Lin Foo; Satoshi Horike; Koya Prabhakara Rao; Susumu Kitagawa
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	8244 - 8249
a	18.582 ± 0.004 Å
b	34.589 ± 0.007 Å
c	16.268 ± 0.003 Å
α	90°
β	103.81 ± 0.03°
γ	90°
Cell volume	10154 ± 4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0752
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.2054
Weighted residual factors for all reflections included in the refinement	0.2148
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4335504.cif
101435	2014-02-13	cif/ Adding structures of 4335504 via cif-deposit CGI script.	4335504.cif