Crystallography Open Database

Information card for entry 7048684

Preview

Coordinates	7048684.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H84 Cd3 N6 O18
Calculated formula	C94 H84 Cd3 N6 O18
Title of publication	A carbazole-functionalized metal-organic framework for efficient detection of antibiotics, pesticides and nitroaromatic compounds.
Authors of publication	Xu, Ning; Zhang, Qinghua; Zhang, Guoan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	8
Pages of publication	2683 - 2691
a	13.364 ± 0.0002 Å
b	14.8268 ± 0.0003 Å
c	17.2128 ± 0.0003 Å
α	88.1 ± 0.001°
β	82.458 ± 0.001°
γ	84.075 ± 0.001°
Cell volume	3362.4 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.046
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0983
Weighted residual factors for all reflections included in the refinement	0.1019
Goodness-of-fit parameter for all reflections included in the refinement	0.96
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223970 (current)	2019-11-07	cif/ Updating files of 7048684 Original log message: Adding full bibliography for 7048684.cif.	7048684.cif
213247	2019-01-22	cif/ Adding structures of 7048684 via cif-deposit CGI script.	7048684.cif