Crystallography Open Database

Information card for entry 7243340

Preview

Coordinates	7243340.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H22.5 Cd2 N2 O12.75
Calculated formula	C21 H22.5 Cd2 N2 O12.75
Title of publication	An excellent thermostable dual-functionalized 3D fsx-type Cd(ii) MOF for the highly selective detection of Fe3+ ions and ten nitroaromatic explosives
Authors of publication	Wen, Gui-Lin; Wu, Wei-Ping; Wang, Feng-Wu; Liu, Dao-Fu; Wang, Xiao-Ling; Rong, Jie-Wei; Wang, Yao-Yu
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	35
Pages of publication	6171 - 6179
a	10.3439 ± 0.0005 Å
b	11.4569 ± 0.0006 Å
c	11.9709 ± 0.0006 Å
α	76.621 ± 0.002°
β	64.402 ± 0.002°
γ	85.987 ± 0.002°
Cell volume	1243.97 ± 0.11 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298.01 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	0.0453
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0634
Weighted residual factors for all reflections included in the refinement	0.0688
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
269692 (current)	2021-10-06	cif/ Updating files of 7243340 Original log message: Adding full bibliography for 7243340.cif.	7243340.cif
267950	2021-08-05	cif/ Adding structures of 7243340 via cif-deposit CGI script.	7243340.cif