Crystallography Open Database

Information card for entry 4109560

Preview

Coordinates	4109560.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(K-18crown6)4(Ni@Bi6Ni6(CO)8)*3en
Formula	C62 H120 Bi6 K4 N6 Ni6.33 O32
Calculated formula	C62 H120.06 Bi6 K4 N6 Ni6.334 O32
Title of publication	Heteroatomic Deltahedral Clusters: Synthesis and Structures of closo-[Bi3Ni4(CO)6]3-, closo-[Bi4Ni4(CO)6]2-, the Open Cluster [Bi3Ni6(CO)9]3-, and the Intermetalloid closo-[Nix@{Bi6Ni6(CO)8}]4-
Authors of publication	Jose M. Goicoechea; Michael W. Hull; Slavi C. Sevov
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	7885 - 7893
a	13.7111 ± 0.0003 Å
b	14.3075 ± 0.0004 Å
c	15.4124 ± 0.0006 Å
α	111.699 ± 0.002°
β	91.646 ± 0.002°
γ	118.149 ± 0.001°
Cell volume	2399.6 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0627
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1141
Weighted residual factors for all reflections included in the refinement	0.1196
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
178841 (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 4/10/95.	4109560.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109560.cif
58337	2012-05-28	cif/ Adding structures of 4109560 via cif-deposit CGI script.	4109560.cif