Crystallography Open Database

Information card for entry 7224799

Preview

Coordinates	7224799.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H46 Cl2 N12 O20 Zn3
Calculated formula	C50 H46 Cl2 N12 O20 Zn3
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	10.6476 ± 0.0013 Å
b	19.578 ± 0.002 Å
c	15.1746 ± 0.0017 Å
α	90°
β	107.808 ± 0.004°
γ	90°
Cell volume	3011.7 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0416
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0821
Weighted residual factors for all reflections included in the refinement	0.084
Goodness-of-fit parameter for all reflections included in the refinement	1.164
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.	7224799.cif
181492	2016-04-05	cif/ Adding structures of 7224796, 7224797, 7224798, 7224799 via cif-deposit CGI script.	7224799.cif