Crystallography Open Database

Information card for entry 7215901

Preview

Coordinates	7215901.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H5 Br2 Co N5 O2
Calculated formula	C10 H5 Br2 Co N5 O2
Title of publication	Enhancement of CO2 uptake in iso-reticular Co based zeolitic imidazolate frameworks via metal replacement
Authors of publication	Panda, Tamas; Gupta, Krishna M.; Jiang, Jianwen; Banerjee, Rahul
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	22
Pages of publication	4677
a	25.9949 ± 0.0012 Å
b	25.9949 ± 0.0012 Å
c	19.7757 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	11572.8 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1975
Residual factor for significantly intense reflections	0.0995
Weighted residual factors for significantly intense reflections	0.2545
Weighted residual factors for all reflections included in the refinement	0.3115
Goodness-of-fit parameter for all reflections included in the refinement	0.702
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
180490 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/59.	7215901.cif
113850	2014-05-16	cif/ Adding structures of 7215899, 7215900, 7215901 via cif-deposit CGI script.	7215901.cif