Crystallography Open Database

Information card for entry 4074271

Preview

Coordinates	4074271.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 Cl2 P Rh
Calculated formula	C30 H28 Cl2 P Rh
SMILES	[cH]12[cH]3[cH]4[cH]5[cH]1[Rh]2345(Cl)(Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)C
Title of publication	Comparisons of Photoinduced Oxidative Addition of B−H, B−B, and Si−H Bonds at Rhodium(η5-cyclopentadienyl)phosphine Centers
Authors of publication	Câmpian, Marius V.; Harris, Jeremy L.; Jasim, Naser; Perutz, Robin N.; Marder, Todd B.; Whitwood, Adrian C.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	21
Pages of publication	5093
a	13.5551 ± 0.0015 Å
b	10.2404 ± 0.0011 Å
c	19.151 ± 0.002 Å
α	90°
β	100.272 ± 0.002°
γ	90°
Cell volume	2615.7 ± 0.5 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
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	0.0503
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0833
Weighted residual factors for all reflections included in the refinement	0.0887
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
178631 (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 4/07/42.	4074271.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074271.cif
48276	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4074266, 4074267, 4074268, 4074269, 4074270, 4074271 via cif-deposit CGI script.	4074271.cif