Crystallography Open Database

Information card for entry 4340929

Preview

Coordinates	4340929.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H Cl0.25 Cr0.25 N2 O0.08
Calculated formula	C2 H Cl0.25 Cr0.25 N2 O0.0833333
Title of publication	Synthesis and porous properties of chromium azolate porous coordination polymers.
Authors of publication	Kongpatpanich, Kanokwan; Horike, Satoshi; Sugimoto, Masayuki; Fukushima, Tomohiro; Umeyama, Daiki; Tsutsumi, Yosuke; Kitagawa, Susumu
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	18
Pages of publication	9870 - 9875
a	16.636 ± 0.009 Å
b	16.636 ± 0.009 Å
c	21.933 ± 0.012 Å
α	90°
β	90°
γ	120°
Cell volume	5257 ± 5 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.0946
Residual factor for significantly intense reflections	0.0703
Weighted residual factors for significantly intense reflections	0.197
Weighted residual factors for all reflections included in the refinement	0.2149
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
179512 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/09.	4340929.cif
126880	2014-11-11	cif/ Updating files of 4340928, 4340929, 4340930 Original log message: Adding full bibliography for 4340928--4340930.cif.	4340929.cif
126004	2014-10-30	cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds.	4340929.cif
122453	2014-08-23	cif/ Adding structures of 4340928, 4340929, 4340930 via cif-deposit CGI script.	4340929.cif