Crystallography Open Database

Information card for entry 7112976

Preview

Coordinates	7112976.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H42 F6 O2 P3 Rh
Calculated formula	C34 H42 F6 O2 P3 Rh
Title of publication	Rational design of efficient rhodium catalysts for the anti-Markovnikov oxidative amination of styrene.
Authors of publication	Jiménez, M Victoria; Pérez-Torrente, Jesús J; Bartolomé, M Isabel; Lahoz, Fernando J.; Oro, Luis A.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	29
Pages of publication	5322 - 5324
a	18.813 ± 0.002 Å
b	17.919 ± 0.002 Å
c	20.796 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	7010.5 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0722
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1225
Weighted residual factors for all reflections included in the refinement	0.1301
Goodness-of-fit parameter for all reflections included in the refinement	1.162
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
180243 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/29.	7112976.cif
112192	2014-04-30	cif/ Adding structures of 7112976 via cif-deposit CGI script.	7112976.cif