Crystallography Open Database

Information card for entry 4109561

Preview

Coordinates	4109561.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(K-18crown6)3(Bi3Ni6(CO)9)en0.5tol
Formula	C50.5 H84 Bi3 K3 N2 Ni6 O27
Calculated formula	C50.5 H83.5 Bi3 K3 N2 Ni6 O27
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	12.4407 ± 0.0007 Å
b	12.7175 ± 0.0007 Å
c	22.9792 ± 0.0013 Å
α	86.716 ± 0.002°
β	89.544 ± 0.002°
γ	82.269 ± 0.002°
Cell volume	3596.7 ± 0.3 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	0.1038
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.112
Weighted residual factors for all reflections included in the refinement	0.1229
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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.	4109561.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109561.cif
58338	2012-05-28	cif/ Adding structures of 4109561 via cif-deposit CGI script.	4109561.cif