Crystallography Open Database

Information card for entry 4101894

Preview

Coordinates	4101894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H36 Al Br0.5 Cl3 P
Calculated formula	C30 H33 Al Br0.5 Cl3 P
Title of publication	Room Temperature Reduction of CO2 to Methanol by Al-Based Frustrated Lewis Pairs and Ammonia Borane
Authors of publication	Gabriel Ménard; Douglas W. Stephan
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	1796 - 1797
a	10.3628 ± 0.0005 Å
b	11.1182 ± 0.0005 Å
c	13.0439 ± 0.0006 Å
α	89.47 ± 0.003°
β	88.254 ± 0.003°
γ	80.848 ± 0.002°
Cell volume	1483.03 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0834
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1516
Weighted residual factors for all reflections included in the refinement	0.1671
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4101894.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4101894.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101894.cif
24713	2011-09-07	../uploads/cif-deposit/cod/cif Adding structures of 4101894 via cif-deposit CGI script.	4101894.cif