Crystallography Open Database

Information card for entry 7015849

Preview

Coordinates	7015849.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(POCOP)Rh(H)Cl
Formula	C18 H32 Cl O2 P2 Rh
Calculated formula	C18 H32 Cl O2 P2 Rh
SMILES	c12c3cccc1O[P](C(C)C)(C(C)C)[RhH]2(Cl)[P](C(C)C)(C(C)C)O3
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	8.035 ± 0.003 Å
b	12.024 ± 0.004 Å
c	23.036 ± 0.007 Å
α	87.162 ± 0.003°
β	82.962 ± 0.003°
γ	79.823 ± 0.003°
Cell volume	2173.2 ± 1.3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0274
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.0584
Weighted residual factors for all reflections included in the refinement	0.0599
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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.	7015849.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015849.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015849.cif
21365	2011-06-22	../uploads/cif-deposit/cod/cif Adding structures of 7015849, 7015850 via cif-deposit CGI script.	7015849.cif