Crystallography Open Database

Information card for entry 4109557

Preview

Coordinates	4109557.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(K-crypt)3[Bi3Ni4(CO)6]entol
Formula	C69 H124 Bi3 K3 N8 Ni4 O24
Calculated formula	C69 H124.02 Bi3 K3 N8 Ni4 O24
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	21.0795 ± 0.0006 Å
b	18.9497 ± 0.0005 Å
c	22.5312 ± 0.0005 Å
α	90°
β	99.782 ± 0.002°
γ	90°
Cell volume	8869.2 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0984
Residual factor for significantly intense reflections	0.067
Weighted residual factors for significantly intense reflections	0.1784
Weighted residual factors for all reflections included in the refinement	0.1952
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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.	4109557.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109557.cif
58334	2012-05-28	cif/ Adding structures of 4109557 via cif-deposit CGI script.	4109557.cif