Crystallography Open Database

Information card for entry 7218640

Preview

Coordinates	7218640.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H27 B9 Co O2 S2
Calculated formula	C14 H27 B9 Co O2 S2
SMILES	[BH]1234[BH]567[BH]89[BH]%10%116[BH]625[BH]251[BH]1([BH]8%10[BH]%11621)[C]145[C]379[S]2CC(=O)O[Co]34562([c]2([c]6([c]5([c]4([c]32C)C)C)C)C)S1
Title of publication	Investigation into the reactivity of 16-electron complexes Cp#Co(S2C2B10H10) (Cp# = Cp, Cp*) towards methyl diazoacetate and toluenesulphonyl azide
Authors of publication	Zhong, Wei; Xie, Mingshi; Li, Yizhi; Yan, Hong
Journal of publication	RSC Adv.
Year of publication	2014
a	10.3728 ± 0.0008 Å
b	13.1268 ± 0.001 Å
c	16.7553 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2281.4 ± 0.3 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0686
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1121
Weighted residual factors for all reflections included in the refinement	0.1153
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
180517 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/86.	7218640.cif
126138	2014-11-01	cif/ Adding structures of 7218636, 7218637, 7218638, 7218639, 7218640, 7218641, 7218642 via cif-deposit CGI script.	7218640.cif