Crystallography Open Database

Information card for entry 7048550

Preview

Coordinates	7048550.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H58 Cd4 N16 O29 S4
Calculated formula	C56 H58 Cd4 N16 O29 S4
Title of publication	A rational design and green synthesis of 3D metal organic frameworks containing a rigid heterocyclic nitrogen-rich dicarboxylate: structural diversity, CO<sub>2</sub> sorption and selective sensing of 2,4,6-TNP in water.
Authors of publication	Gogia, Alisha; Mandal, Sanjay K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	7
Pages of publication	2388 - 2398
a	19.3201 ± 0.0005 Å
b	13.2499 ± 0.0003 Å
c	13.8392 ± 0.0004 Å
α	90°
β	97.12 ± 0.001°
γ	90°
Cell volume	3515.37 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0276
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.0619
Weighted residual factors for all reflections included in the refinement	0.0634
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
224302 (current)	2019-11-08	cif/ Updating files of 7048550, 7048551 Original log message: Adding full bibliography for 7048550--7048551.cif.	7048550.cif
212962	2019-01-11	cif/ Adding structures of 7048550, 7048551 via cif-deposit CGI script.	7048550.cif