Crystallography Open Database

Information card for entry 7003688

Preview

Coordinates	7003688.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H67 O P3 Rh2
Calculated formula	C47 H67 O P3 Rh2
SMILES	[Rh]1234([PH](P([Rh]567([PH]1c1c(cc(cc1C)C)C)[CH]1=[CH]5CC[CH]6=[CH]7CC1)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[CH]1=[CH]2CC[CH]3=[CH]4CC1.O1CCCC1
Title of publication	Different transmetallation behaviour of [M(P4HR4)] salts toward rhodium(i) and copper(i) (M = Na, K; R = Ph, Mes; Mes = 2,4,6-Me3C6H2)
Authors of publication	Gómez-Ruiz, Santiago; Wolf, Robert; Hey-Hawkins, Evamarie
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	15
Pages of publication	1982 - 1988
a	12.627 ± 0.005 Å
b	12.941 ± 0.005 Å
c	15.604 ± 0.005 Å
α	74.908 ± 0.005°
β	84.544 ± 0.005°
γ	67.189 ± 0.005°
Cell volume	2269.2 ± 1.5 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0904
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.153
Weighted residual factors for all reflections included in the refinement	0.1728
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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
179740 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/36.	7003688.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003688.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003688.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003688.cif