Crystallography Open Database

Information card for entry 7216837

Preview

Coordinates	7216837.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26.25 H25.25 Cd N5.75 O5.75
Calculated formula	C21 H13 Cd N4 O4
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	23.324 ± 0.003 Å
b	10.2514 ± 0.0006 Å
c	25.426 ± 0.002 Å
α	90°
β	116.19 ± 0.015°
γ	90°
Cell volume	5455.3 ± 1.1 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.0933
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for significantly intense reflections	0.1366
Weighted residual factors for all reflections included in the refinement	0.1476
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
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.	7216837.cif
118219	2014-06-27	cif/ Adding structures of 7216835, 7216836, 7216837, 7216838 via cif-deposit CGI script.	7216837.cif