Crystallography Open Database

Information card for entry 2241270

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Structure parameters

Common name	Hexaamminecobalt(II) bistetracarbonylcobaltate(-I)
Chemical name	Hexaamminecobalt(II) bis[tetracarbonylcobaltate(-I)]
Formula	C8 H18 Co3 N6 O8
Calculated formula	C8 H18 Co3 N6 O8
SMILES	C(#[O])[Co](C#[O])(C#[O])C#[O].[Co]([NH3])([NH3])([NH3])([NH3])([NH3])[NH3].C(#[O])[Co](C#[O])(C#[O])C#[O]
Title of publication	Crystal structure of [Co(NH~3~)~6~][Co(CO)~4~]~2~
Authors of publication	Müller, Thomas G.; Kraus, Florian
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	11
Pages of publication	1418 - 1420
a	9.3679 ± 0.0004 Å
b	9.3679 ± 0.0004 Å
c	18.3089 ± 0.0018 Å
α	90°
β	90°
γ	120°
Cell volume	1391.48 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3
Hall space group symbol	-R 3
Residual factor for all reflections	0.0378
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0861
Weighted residual factors for all reflections included in the refinement	0.0895
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181913 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/12.	2241270.cif 2241270.hkl
169993	2015-11-04	cif/ hkl/ Adding structures of 2241270 via cif-deposit CGI script.	2241270.cif 2241270.hkl