Crystallography Open Database

Information card for entry 7039926

Preview

Coordinates	7039926.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H27 Cu N5 O7
Calculated formula	C29 H20 Cu N4 O6
Title of publication	A Cu(ii) MOF with a flexible bifunctionalised terpyridine as an efficient catalyst for the single-pot hydrocarboxylation of cyclohexane to carboxylic acid in water/ionic liquid medium.
Authors of publication	Paul, Anup; Ribeiro, Ana P. C.; Karmakar, Anirban; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	32
Pages of publication	12779 - 12789
a	36.819 ± 0.006 Å
b	8.5131 ± 0.0015 Å
c	22.168 ± 0.004 Å
α	90°
β	123.341 ± 0.005°
γ	90°
Cell volume	5804.8 ± 1.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1516
Residual factor for significantly intense reflections	0.0828
Weighted residual factors for significantly intense reflections	0.2238
Weighted residual factors for all reflections included in the refinement	0.2825
Goodness-of-fit parameter for all reflections included in the refinement	0.861
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
186424 (current)	2016-09-10	cif/ Updating files of 7039926 Original log message: Adding full bibliography for 7039926.cif.	7039926.cif
184539	2016-07-20	cif/ Adding structures of 7039926 via cif-deposit CGI script.	7039926.cif