Crystallography Open Database

Information card for entry 1515907

Preview

Coordinates	1515907.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H55 Al N3 O2
Calculated formula	C47 H55 Al N3 O2
Title of publication	Aluminium‒ligand cooperation promotes selective dehydrogenation of formic acid to H2 and CO2
Authors of publication	Myers, T. W.; Berben, L. A.
Journal of publication	Chemical Science
Year of publication	2014
Journal volume	5
Journal issue	7
Pages of publication	2771
a	13.6878 ± 0.0003 Å
b	11.4342 ± 0.0003 Å
c	27.5312 ± 0.0006 Å
α	90°
β	109.089 ± 0.001°
γ	90°
Cell volume	4071.94 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0936
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.176
Weighted residual factors for all reflections included in the refinement	0.1894
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515907.cif
116145	2014-06-07	cif/ Updating files of 1515907 Original log message: Adding full bibliography for 1515907.cif.	1515907.cif
112435	2014-05-01	cif/ Adding structures of 1515907 via cif-deposit CGI script.	1515907.cif