Crystallography Open Database

Information card for entry 7055174

Preview

Coordinates	7055174.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	compoud 1
Formula	C27.5 H26.9 Cd N2.5 O10
Calculated formula	C26 H20 Cd N2 O8
Title of publication	A novel 2D infinite M3L2cage-based Cd(ii) microporous coordination polymer with a tripodal carboxylic acid ligand and solvent-dependent luminescence properties
Authors of publication	Su, Jian; Yao, Liudi; Zhang, Jun; Yuan, Shizhen; Xie, Fazhi; Ding, Yi; Zhao, Meng; Wang, Shichao; Li, Hao; Zhang, Shengyi; Wu, Jieying; Tian, Yupeng
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	1
Pages of publication	97
a	17.9949 ± 0.0007 Å
b	17.9949 ± 0.0007 Å
c	64.9775 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	18221.9 ± 1 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.1388
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.1909
Weighted residual factors for all reflections included in the refinement	0.2203
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176128 (current)	2016-02-05	cif/ Updating files of 7055174 Original log message: Adding full bibliography for 7055174.cif.	7055174.cif
170386	2015-11-18	cif/ Adding structures of 7055174 via cif-deposit CGI script.	7055174.cif