Crystallography Open Database

Information card for entry 7209990

7209989 << 7209990 >> 7209991

Preview

Coordinates	7209990.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H27 Cd2 N9 O9
Calculated formula	C27 H27 Cd2 N9 O9
Title of publication	The 3D porous metal‒organic frameworks based on bis(pyrazinyl)‒trizole: structures, photoluminescence and gas adsorption properties
Authors of publication	Pan, Jie; Jiang, Fei-Long; Yuan, Da-Qiang; Shan, Xiao-Chen; Wu, Ming-Yan; Zhou, Kang; Gai, Yan-Li; Li, Xing-Jun; Hong, Mao-Chun
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	28
Pages of publication	5673
a	20.73 ± 0.008 Å
b	14.751 ± 0.005 Å
c	20.709 ± 0.008 Å
α	90°
β	97.174 ± 0.004°
γ	90°
Cell volume	6283 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0801
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.1886
Weighted residual factors for all reflections included in the refinement	0.2053
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
180430 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/99.	7209990.cif
86893	2013-07-12	cif/ Adding structures of 7209989, 7209990 via cif-deposit CGI script.	7209990.cif