Crystallography Open Database

Information card for entry 7009866

Preview

Coordinates	7009866.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H43 Cl2 F3 O3 P2 Pd S
Calculated formula	C35 H43 Cl2 F3 O3 P2 Pd S
SMILES	[Pd]123([P]4([C@H](C)CC[C@H]4C)c4ccccc4[P]42[C@H](C)CC[C@H]4C)[CH](=[CH]1C3c1ccccc1)c1ccccc1.S(=O)(=O)(C(F)(F)F)[O-].C(Cl)Cl
Title of publication	Allyl, olefin, aryl and alkyl organometallic palladium complexes of 1,2-bis[(2R,5R)-2,5-dimethylphospholanyl]benzene
Authors of publication	Drago, Daniela; Pregosin, Paul S.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	18
Pages of publication	3191
a	13.0798 ± 0.0003 Å
b	11.432 ± 0.0003 Å
c	13.2985 ± 0.0004 Å
α	90°
β	106.394 ± 0.001°
γ	90°
Cell volume	1907.66 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1441
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1055
Weighted residual factors for all reflections included in the refinement	0.1284
Goodness-of-fit parameter for all reflections included in the refinement	0.822
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
179802 (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 7/00/98.	7009866.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009866.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009866.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009866.cif