Crystallography Open Database

Information card for entry 7015850

Preview

Coordinates	7015850.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(POCOP)Rh(Ph)I
Formula	C24 H36 I O2 P2 Rh
Calculated formula	C24 H36 I O2 P2 Rh
SMILES	I[Rh]12([P](Oc3cccc(O[P]1(C(C)C)C(C)C)c23)(C(C)C)C(C)C)c1ccccc1
Title of publication	Catalysis of Kumada-Tamao-Corriu coupling by a (P(O)C(O)P)Rh pincer complex.
Authors of publication	Timpa, Samuel D.; Fafard, Claudia M.; Herbert, David E.; Ozerov, Oleg V.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	20
Pages of publication	5426 - 5429
a	15.865 ± 0.002 Å
b	10.113 ± 0.013 Å
c	23.16 ± 0.02 Å
α	90°
β	131.95 ± 0.05°
γ	90°
Cell volume	2764 ± 5 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.0924
Residual factor for significantly intense reflections	0.0777
Weighted residual factors for significantly intense reflections	0.188
Weighted residual factors for all reflections included in the refinement	0.1954
Goodness-of-fit parameter for all reflections included in the refinement	1.135
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
179862 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/58.	7015850.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015850.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015850.cif
21365	2011-06-22	../uploads/cif-deposit/cod/cif Adding structures of 7015849, 7015850 via cif-deposit CGI script.	7015850.cif