Crystallography Open Database

Information card for entry 4073477

Preview

Coordinates	4073477.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H42 Cl O P2 Rh
Calculated formula	C27 H42 Cl1.46 P2 Rh
Title of publication	Experimental and Computational Study of the Transformation of Terminal Alkynes to Vinylidene Ligands ontrans-(Chloro)bis(phosphine)Rh Fragments and Effects of Phosphine Substituents
Authors of publication	Grotjahn, Douglas B.; Zeng, Xi; Cooksy, Andrew L.; Kassel, W. Scott; DiPasquale, Antonio G.; Zakharov, Lev. N.; Rheingold, Arnold L.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	14
Pages of publication	3385
a	10.232 ± 0.011 Å
b	15.409 ± 0.017 Å
c	9.569 ± 0.01 Å
α	90°
β	113.509 ± 0.015°
γ	90°
Cell volume	1383 ± 3 Å³
Cell temperature	208 ± 2 K
Ambient diffraction temperature	208 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0498
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1119
Weighted residual factors for all reflections included in the refinement	0.1133
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
178623 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/34.	4073477.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073477.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073477.cif
46364	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073477 via cif-deposit CGI script.	4073477.cif