Crystallography Open Database

Information card for entry 4078294

Preview

Coordinates	4078294.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H25 Au Cl Fe O P
Calculated formula	C25 H25 Au Cl Fe O P
SMILES	[Au](Cl)[P]([c]12[Fe]3456789([c]1([cH]3[cH]4[cH]25)[C@@H](OC)C)[cH]1[cH]6[cH]7[cH]8[cH]91)(c1ccccc1)c1ccccc1
Title of publication	Gold(I) Complexes of Conformationally Constricted Chiral Ferrocenyl Phosphines
Authors of publication	Barreiro, Elena M.; Broggini, Diego F. D.; Adrio, Luis A.; White, Andrew J. P.; Schwenk, Rino; Togni, Antonio; Hii, King Kuok (Mimi)
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	9
Pages of publication	3745
a	11.18245 ± 0.00008 Å
b	12.26925 ± 0.00008 Å
c	17.17066 ± 0.00011 Å
α	90°
β	90°
γ	90°
Cell volume	2355.82 ± 0.03 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0199
Residual factor for significantly intense reflections	0.0183
Weighted residual factors for significantly intense reflections	0.0427
Weighted residual factors for all reflections included in the refinement	0.0433
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178671 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/82.	4078294.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078294.cif
59884	2012-06-14	cif/ Adding structures of 4078292, 4078293, 4078294, 4078295, 4078296 via cif-deposit CGI script.	4078294.cif