Crystallography Open Database

Information card for entry 4070802

Preview

Coordinates	4070802.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H23 Au Fe N P
Calculated formula	C31 H23 Au Fe N P
SMILES	[Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)[P](c1ccccc1)(c1ccccc1)[Au]C#Cc1ccc(cc1)C#N)[cH]1[cH]8[cH]7[cH]6[cH]51
Title of publication	Diphenylphosphinoferrocene Gold(I) Acetylides: Synthesis of Heterotri- and Heterotetrametallic Transition Metal Complexes
Authors of publication	Packheiser, Rico; Jakob, Alexander; Ecorchard, Petra; Walfort, Bernhard; Lang, Heinrich
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	6
Pages of publication	1214
a	25.095 ± 0.002 Å
b	9.5949 ± 0.0008 Å
c	21.9949 ± 0.0014 Å
α	90°
β	102.725 ± 0.006°
γ	90°
Cell volume	5165.9 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0454
Residual factor for significantly intense reflections	0.0235
Weighted residual factors for significantly intense reflections	0.0487
Weighted residual factors for all reflections included in the refinement	0.0519
Goodness-of-fit parameter for all reflections included in the refinement	0.989
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
178597 (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 4/07/08.	4070802.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070802.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070802.cif
42713	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070802 via cif-deposit CGI script.	4070802.cif