Crystallography Open Database

Information card for entry 7216836

Preview

Coordinates	7216836.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 N5 O5 Zn
Calculated formula	C21 H13 N4 O4 Zn
Title of publication	Utilising hinged ligands in MOF synthesis: a covalent linking strategy for forming 3D MOFs
Authors of publication	Coghlan, Campbell J.; Sumby, Christopher J.; Doonan, Christian J.
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	28
Pages of publication	6364
a	23.269 ± 0.005 Å
b	10.602 ± 0.002 Å
c	24.34 ± 0.005 Å
α	90°
β	111.28 ± 0.03°
γ	90°
Cell volume	5595 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0767
Residual factor for significantly intense reflections	0.0706
Weighted residual factors for significantly intense reflections	0.1961
Weighted residual factors for all reflections included in the refinement	0.2007
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180499 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/68.	7216836.cif
118219	2014-06-27	cif/ Adding structures of 7216835, 7216836, 7216837, 7216838 via cif-deposit CGI script.	7216836.cif