Crystallography Open Database

Information card for entry 4070589

Preview

Coordinates	4070589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H55 Au B7 Cl2 Fe2 Ir N O5 P3
Calculated formula	C62 H55 Au B7 Cl2 Fe2 Ir N O5 P3
Title of publication	Tetrametallic Copper and Gold Derivatives of a Cyano-Iridium-Diiron-Monocarborane Cluster
Authors of publication	Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	1
Pages of publication	148
a	15.358 ± 0.005 Å
b	15.787 ± 0.005 Å
c	15.948 ± 0.006 Å
α	85.577 ± 0.009°
β	64.734 ± 0.009°
γ	66.82 ± 0.009°
Cell volume	3195.2 ± 1.9 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	10
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0918
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.0891
Weighted residual factors for all reflections included in the refinement	0.1056
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178594 (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 4/07/05.	4070589.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070589.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070589.cif
42578	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070588, 4070589 via cif-deposit CGI script.	4070589.cif