Crystallography Open Database

Information card for entry 1508065

Preview

Coordinates	1508065.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H16 F8 N10 Zn
Calculated formula	C46 H16 F8 N10 Zn
Title of publication	Selective sorption of oxygen and nitric oxide by an electron-donating flexible porous coordination polymer.
Authors of publication	Shimomura, Satoru; Higuchi, Masakazu; Matsuda, Ryotaro; Yoneda, Ko; Hijikata, Yuh; Kubota, Yoshiki; Mita, Yoshimi; Kim, Jungeun; Takata, Masaki; Kitagawa, Susumu
Journal of publication	Nature chemistry
Year of publication	2010
Journal volume	2
Journal issue	8
Pages of publication	633 - 637
a	22.857 ± 0.006 Å
b	12.614 ± 0.003 Å
c	14.604 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4210.6 ± 1.9 Å³
Cell temperature	223.1 K
Ambient diffraction temperature	223.1 K
Number of distinct elements	5
Space group number	54
Hermann-Mauguin space group symbol	P c c a
Hall space group symbol	-P 2a 2ac
Residual factor for significantly intense reflections	0.0678
Weighted residual factors for all reflections included in the refinement	0.0832
Goodness-of-fit parameter for all reflections included in the refinement	0.927
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1508065.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508065.cif
62611	2012-07-09	cif/ Adding structures of 1508065 via cif-deposit CGI script.	1508065.cif