Crystallography Open Database

Information card for entry 4104106

Preview

Coordinates	4104106.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H30 F3 P2 Rh
Calculated formula	C37 H30 F3 P2 Rh
Title of publication	Fluxionality of [(Ph3P)3Rh(X)]: The Extreme Case of X = CF3
Authors of publication	Jenni Goodman; Vladimir V. Grushin; Roman B. Larichev; Stuart A. Macgregor; William J. Marshall; D. Christopher Roe
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	4236 - 4238
a	9.1363 ± 0.0005 Å
b	37.72 ± 0.002 Å
c	9.7614 ± 0.0006 Å
α	90°
β	110.106 ± 0.001°
γ	90°
Cell volume	3159 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0996
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.0992
Weighted residual factors for all reflections included in the refinement	0.1189
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
178787 (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 4/10/41.	4104106.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104106.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104106.cif
28614	2011-10-30	../uploads/cif-deposit/cod/cif Adding structures of 4104106 via cif-deposit CGI script.	4104106.cif