Crystallography Open Database

Information card for entry 7224796

Preview

Coordinates	7224796.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H14 N4 O5 S Zn
Calculated formula	C18 H14 N4 O5 S Zn
Title of publication	Selective CO2adsorption in four zinc(ii)-based metal organic frameworks constructed using a rigid N,N′-donor linker and various dicarboxylate ligands
Authors of publication	Parshamoni, Srinivasulu; Konar, Sanjit
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	23
Pages of publication	4395
a	23.245 ± 0.003 Å
b	9.9259 ± 0.0012 Å
c	17.277 ± 0.002 Å
α	90°
β	106.81 ± 0.002°
γ	90°
Cell volume	3815.9 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0238
Residual factor for significantly intense reflections	0.0218
Weighted residual factors for significantly intense reflections	0.0506
Weighted residual factors for all reflections included in the refinement	0.0515
Goodness-of-fit parameter for all reflections included in the refinement	0.986
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
185279 (current)	2016-08-07	cif/ Updating files of 7224796, 7224797, 7224798, 7224799 Original log message: Adding full bibliography for 7224796--7224799.cif.	7224796.cif
181492	2016-04-05	cif/ Adding structures of 7224796, 7224797, 7224798, 7224799 via cif-deposit CGI script.	7224796.cif