Crystallography Open Database

Information card for entry 4072121

Preview

Coordinates	4072121.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H46 Au4 Cl2 Fe2 N4 O4
Calculated formula	C61 H46 Au4 Cl2 Fe2 N4 O4
Title of publication	Reactions of Gold(I) Acetylides with 1,1′-Diisocyanoferrocene: From Orthodox to Unorthodox Behavior
Authors of publication	Siemeling, Ulrich; Rother, Dag; Bruhn, Clemens
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	24
Pages of publication	6419
a	8.4412 ± 0.0012 Å
b	11.8387 ± 0.0018 Å
c	14.197 ± 0.002 Å
α	87.29 ± 0.012°
β	81.08 ± 0.011°
γ	84.569 ± 0.012°
Cell volume	1394.5 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1034
Residual factor for significantly intense reflections	0.0614
Weighted residual factors for significantly intense reflections	0.1363
Weighted residual factors for all reflections included in the refinement	0.1478
Goodness-of-fit parameter for all reflections included in the refinement	0.82
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
178610 (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 4/07/21.	4072121.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4072121.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072121.cif
44247	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4072119, 4072120, 4072121, 4072122 via cif-deposit CGI script.	4072121.cif