Crystallography Open Database

Information card for entry 7237153

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Coordinates	7237153.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	poly-{[(mu-2,5-bis(4-pyridyl)-1,3,4-oxadiazole)-kN,N')bis(mu4-glutarato-kO:kO':kO'':kO''')dicopper(II)] tetrahydrate}
Formula	C22 H28 Cu2 N4 O13
Calculated formula	C22 H20 Cu2 N4 O9
Title of publication	Modulation of pore shape and adsorption selectivity by ligand functionalization in a series of “rob”-like flexible metal‒organic frameworks
Authors of publication	Cepeda, Javier; Pérez-Mendoza, Manuel; Calahorro, Antonio J.; Casati, Nicola; Seco, José Manuel; Aragones-Anglada, Marta; Moghadam, Peyman Z.; Fairen-Jimenez, David; Rodríguez-Diéguez, Antonio
Journal of publication	Journal of Materials Chemistry A
Year of publication	2018
Journal volume	6
Journal issue	36
Pages of publication	17409
a	26.9173 ± 0.0001 Å
b	12.987 ± 0.001 Å
c	8.574 ± 0.001 Å
α	90°
β	104.82 ± 0.01°
γ	90°
Cell volume	2897.5 ± 0.4 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	0.0741
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.0905
Weighted residual factors for all reflections included in the refinement	0.0969
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
237454 (current)	2019-11-24	cif/ Adding structures of 7237150, 7237151, 7237152, 7237153 via cif-deposit CGI script.	7237153.cif