Crystallography Open Database

Information card for entry 7111632

Preview

Coordinates	7111632.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H21 N3 O5 Zn
Calculated formula	C25 H21 N3 O5 Zn
Title of publication	Enhanced selectivity of CO2 from a ternary gas mixture in an interdigitated porous framework
Authors of publication	Nakagawa, Keiji; Tanaka, Daisuke; Horike, Satoshi; Shimomura, Satoru; Higuchi, Masakazu; Kitagawa, Susumu
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	24
Pages of publication	4258 - 4260
a	16.14 ± 0.04 Å
b	11.35 ± 0.03 Å
c	24.67 ± 0.09 Å
α	90°
β	102.11 ± 0.07°
γ	90°
Cell volume	4419 ± 2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0961
Residual factor for significantly intense reflections	0.0777
Weighted residual factors for significantly intense reflections	0.2335
Weighted residual factors for all reflections included in the refinement	0.2558
Goodness-of-fit parameter for all reflections included in the refinement	1.656
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
180230 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/16.	7111632.cif
96712	2014-01-29	cif/ Adding structures of 7111632 via cif-deposit CGI script.	7111632.cif