Crystallography Open Database

Information card for entry 4102998

Preview

Coordinates	4102998.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	7a
Formula	C88 H106 Au3 Cu2 N O7 P2
Calculated formula	C88 H106 Au3 Cu2 N O7 P2
Title of publication	Luminescent Au(I)/Cu(I) Alkynyl Clusters with an Ethynyl Steroid and Related Aliphatic Ligands: An Octanuclear Au4Cu4 Cluster and Luminescence Polymorphism in Au3Cu2 Clusters
Authors of publication	Gerald F. Manbeck; William W. Brennessel; Robert A. Stockland; Richard Eisenberg
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	12307 - 12318
a	11.7932 ± 0.001 Å
b	26.194 ± 0.002 Å
c	13.0147 ± 0.0011 Å
α	90°
β	97.469 ± 0.002°
γ	90°
Cell volume	3986.3 ± 0.6 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	7
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.1106
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1026
Weighted residual factors for all reflections included in the refinement	0.1219
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
178775 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/29.	4102998.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4102998.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102998.cif
25934	2011-09-15	../uploads/cif-deposit/cod/cif Adding structures of 4102998 via cif-deposit CGI script.	4102998.cif