Crystallography Open Database

Information card for entry 4118159

Preview

Coordinates	4118159.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H34 B F15 Sc
Calculated formula	C41 H34 B F15 Sc
Title of publication	Carbon Monoxide Activation via O-Bound CO Using Decamethylscandocinium-Hydridoborate Ion Pairs
Authors of publication	Andreas Berkefeld; Warren E. Piers; Masood Parvez; Ludovic Castro; Laurent Maron; Odile Eisenstein
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	10843 - 10851
a	11.9228 ± 0.0003 Å
b	12.6026 ± 0.0004 Å
c	14.6366 ± 0.0004 Å
α	93.9513 ± 0.0011°
β	101.734 ± 0.0015°
γ	114.692 ± 0.0014°
Cell volume	1926.94 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0631
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1313
Weighted residual factors for all reflections included in the refinement	0.1397
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
178952 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/81.	4118159.cif
75680	2013-03-12	cif/ Adding structures of 4118159 via cif-deposit CGI script.	4118159.cif