Crystallography Open Database

Information card for entry 2238908

Preview

Coordinates	2238908.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(μ~3~-Hydrido)[μ~3~-2-(trimethylsilyl)ethylidyne-\ κ^3^<i>C</i>^1^:<i>C</i>^1^:<i>C</i>^1^]tetrakis[(η^5^-\ cyclopentadienyl)cobalt(II)]
Formula	C25 H32 Co4 Si
Calculated formula	C25 H32 Co4 Si
SMILES	C12(C[Si](C)(C)C)[Co]3456789([cH]%10[cH]6[cH]5[cH]4[cH]3%10)[Co]3456%10%111([cH]1[cH]3[cH]4[cH]5[cH]61)[Co]13457([cH]6[cH]5[cH]4[cH]3[cH]16)([Co]134528%10[cH]2[cH]5[cH]4[cH]3[cH]12)[H]9%11
Title of publication	(μ~3~-Hydrido)[μ~3~-2-(trimethylsilyl)ethylidyne-κ^3^<i>C</i>^1^:<i>C</i>^1^:<i>C</i>^1^]tetrakis[(η^5^-cyclopentadienyl)cobalt(II)]
Authors of publication	Haehnel, Martin; Spannenberg, Anke; Rosenthal, Uwe
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	m651
a	9.3691 ± 0.0004 Å
b	17.7016 ± 0.0008 Å
c	14.2208 ± 0.0007 Å
α	90°
β	92.779 ± 0.003°
γ	90°
Cell volume	2355.72 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0464
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0518
Weighted residual factors for all reflections included in the refinement	0.0576
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238908.cif
92302	2014-01-12	cif/ Adding structures of 2238908 via cif-deposit CGI script.	2238908.cif