Crystallography Open Database

Information card for entry 4074266

Preview

Coordinates	4074266.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H24 P Rh
Calculated formula	C25 H24 P Rh
SMILES	c1ccc([P]([Rh]23456([CH2]=[CH2]3)[cH]3[cH]5[cH]2[cH]4[cH]63)(c2ccccc2)c2ccccc2)cc1
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	19.679 ± 0.0018 Å
b	9.672 ± 0.0009 Å
c	21.451 ± 0.002 Å
α	90°
β	95.435 ± 0.002°
γ	90°
Cell volume	4064.5 ± 0.7 Å³
Cell temperature	115 ± 2 K
Ambient diffraction temperature	115 ± 2 K
Number of distinct elements	4
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	0.0786
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0695
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	0.93
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.	4074266.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074266.cif
48276	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4074266, 4074267, 4074268, 4074269, 4074270, 4074271 via cif-deposit CGI script.	4074266.cif