Crystallography Open Database

Information card for entry 4068244

Preview

Coordinates	4068244.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H44 Fe P2 Si2
Calculated formula	C24 H44 Fe P2 Si2
SMILES	[Fe]12345678(P9[CH]4=[C]3([C]2(=[C]19[Si](C)(C)C(C)(C)C)C)C)P1[CH]8=[C]7([C]6(=[C]51[Si](C)(C)C(C)(C)C)C)C
Title of publication	Concise Synthesis of Enantiopure (S)-(+)-2,2′-Bis(tert-butyldimethylsilyl)-1,1′-diphosphaferrocene: Anion-Dependence of Its Coordination to Palladium(II) Centers
Authors of publication	Cabon, Yves; Carmichael, Duncan; Le Goff, Xavier-Frédéric
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	1
Pages of publication	370
a	7.462 ± 0.001 Å
b	23.903 ± 0.001 Å
c	16.032 ± 0.001 Å
α	90°
β	108.353 ± 0.001°
γ	90°
Cell volume	2714.1 ± 0.4 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
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	0.0709
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1349
Weighted residual factors for all reflections included in the refinement	0.1459
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178572 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/82.	4068244.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068244.cif
39598	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068244, 4068245 via cif-deposit CGI script.	4068244.cif