Crystallography Open Database

Information card for entry 4331675

Preview

Coordinates	4331675.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H40 Cu F12 N4 O6 P2
Calculated formula	C23 H25 Cu F12 N4 O3 P2
Title of publication	Highly Selective CO2 Adsorption Accompanied with Low-Energy Regeneration in a Two-Dimensional Cu(II) Porous Coordination Polymer with Inorganic Fluorinated PF6- Anions
Authors of publication	Shin-ichiro Noro; Yuh Hijikata; Munehiro Inukai; Tomohiro Fukushima; Satoshi Horike; Masakazu Higuchi; Susumu Kitagawa; Tomoyuki Akutagawa; Takayoshi Nakamura
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	280 - 285
a	16.1603 ± 0.0003 Å
b	14.9216 ± 0.0004 Å
c	30.305 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	7307.7 ± 0.3 Å³
Cell temperature	173.1 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for significantly intense reflections	0.0695
Weighted residual factors for all reflections included in the refinement	0.1232
Goodness-of-fit parameter for all reflections included in the refinement	0.922
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4331675.cif
97795	2014-01-29	cif/ Adding structures of 4331675 via cif-deposit CGI script.	4331675.cif