Crystallography Open Database

Information card for entry 7216835

Preview

Coordinates	7216835.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14.7 H17.3 Cu0.5 N3.4 O3.9
Calculated formula	C10.5 H6.5 Cu0.5 N2 O2.5
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	11.9272 ± 0.0015 Å
b	13.954 ± 0.003 Å
c	20.185 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3359.4 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for all reflections	0.2069
Residual factor for significantly intense reflections	0.1268
Weighted residual factors for significantly intense reflections	0.3509
Weighted residual factors for all reflections included in the refinement	0.3829
Goodness-of-fit parameter for all reflections included in the refinement	0.994
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7216835.cif
118219	2014-06-27	cif/ Adding structures of 7216835, 7216836, 7216837, 7216838 via cif-deposit CGI script.	7216835.cif