Crystallography Open Database

Information card for entry 4103526

Preview

Coordinates	4103526.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	jonme07
Formula	C15 H27 N P Rh
Calculated formula	C15 H27 N P Rh
Title of publication	C-H vs C-C Bond Activation of Acetonitrile and Benzonitrile via Oxidative Addition: Rhodium vs Nickel and Cp* vs Tp' (Tp' = Hydrotris(3,5-dimethylpyrazol-1-yl)borate, Cp* = η5-Pentamethylcyclopentadienyl)
Authors of publication	Meagan E. Evans; Ting Li; William D. Jones
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	16278 - 16284
a	16.447 ± 0.002 Å
b	12.741 ± 0.0018 Å
c	7.6738 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1608.1 ± 0.4 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0299
Residual factor for significantly intense reflections	0.0272
Weighted residual factors for significantly intense reflections	0.0698
Weighted residual factors for all reflections included in the refinement	0.0705
Goodness-of-fit parameter for all reflections included in the refinement	1.423
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178781 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/35.	4103526.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103526.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103526.cif
26510	2011-09-21	../uploads/cif-deposit/cod/cif Adding structures of 4103526 via cif-deposit CGI script.	4103526.cif