Crystallography Open Database

Information card for entry 7709267

Preview

Coordinates	7709267.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H46 Cd3 N7 O16
Calculated formula	C36 H46 Cd3 N7 O16
Title of publication	Amine-substituent induced highly selective and rapid "turn-on" detection of carcinogenic 1,4-dioxane from purely aqueous and vapour phase with novel post-synthetically modified d<sup>10</sup>-MOFs.
Authors of publication	Mondal, Udayan; Bej, Sourav; Hazra, Abhijit; Mandal, Sukdeb; Pal, Tapan K.; Banerjee, Priyabrata
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	5
Pages of publication	2083 - 2093
a	13.3983 ± 0.0004 Å
b	10.3191 ± 0.0003 Å
c	16.2707 ± 0.0005 Å
α	90°
β	104.988 ± 0.001°
γ	90°
Cell volume	2173.03 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.043
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0828
Weighted residual factors for all reflections included in the refinement	0.0926
Goodness-of-fit parameter for all reflections included in the refinement	1.126
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
272666 (current)	2022-02-04	cif/ Updating files of 7709267 Original log message: Adding full bibliography for 7709267.cif.	7709267.cif
271949	2022-01-08	cif/ Adding structures of 7709267 via cif-deposit CGI script.	7709267.cif