Crystallography Open Database

Information card for entry 4074534

Preview

Coordinates	4074534.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H64.5 Ag4 Au3 Cl0.5 Fe6 O5.5
Calculated formula	C72 H54 Ag4 Au3 Cl0.5 Fe6 O5.5
Title of publication	Rhombic Dodecahedral Ag8M6(M = Cu, Ag, Au) Cluster Complexes of Ferrocenylethynyl Prepared by Reaction of (AgC⋮CFc)nwith [M2(Ph2PNHPh2)2(MeCN)2]2+(M = Cu, Ag, Au)
Authors of publication	Wei, Qiao-Hua; Yin, Gang-Qiang; Zhang, Li-Yi; Chen, Zhong-Ning
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	21
Pages of publication	4941
a	15.6892 ± 0.0001 Å
b	16.7712 ± 0.0003 Å
c	17.7327 ± 0.0003 Å
α	81.126 ± 0.001°
β	68.883 ± 0.001°
γ	62.678 ± 0.001°
Cell volume	3866.69 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1473
Residual factor for significantly intense reflections	0.0986
Weighted residual factors for significantly intense reflections	0.253
Weighted residual factors for all reflections included in the refinement	0.3117
Goodness-of-fit parameter for all reflections included in the refinement	1.228
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4074534.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074534.cif
48437	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4074531, 4074532, 4074533, 4074534 via cif-deposit CGI script.	4074534.cif