Crystallography Open Database

Information card for entry 1542279

Preview

Coordinates	1542279.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H28 Cu La4 N6 O38 S2
Calculated formula	C42 H30 Cu La4 N6 O38 S2
Title of publication	A novel copper(ii)‒lanthanum(iii) metal organic framework as a selective catalyst for the aerobic oxidation of benzylic hydrocarbons and cycloalkenes
Authors of publication	Cancino, P.; Vega, A.; Santiago-Portillo, Andrea; Navalon, Sergio; Alvaro, Mercedes; Aguirre, P.; Spodine, E.; García, Hermenegildo
Journal of publication	Catal. Sci. Technol.
Year of publication	2016
Journal volume	6
Journal issue	11
Pages of publication	3727
a	9.4008 ± 0.0005 Å
b	11.5017 ± 0.0006 Å
c	13.7959 ± 0.0007 Å
α	108.56 ± 0.001°
β	106.079 ± 0.002°
γ	97.893 ± 0.002°
Cell volume	1316.5 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0296
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0765
Weighted residual factors for all reflections included in the refinement	0.0782
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
185092 (current)	2016-08-07	cif/ Updating files of 1542279 Original log message: Adding full bibliography for 1542279.cif.	1542279.cif
174463	2016-01-15	cif/ Adding structures of 1542279 via cif-deposit CGI script.	1542279.cif