Crystallography Open Database

Information card for entry 4108148

Preview

Coordinates	4108148.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H27 Co N2 O4 S Si
Calculated formula	C24 H27 Co N2 O4 S Si
SMILES	[cH]12[cH]3[cH]4[cH]5[cH]1[Co]1672345[CH](=[C]1(C([C]6(=[CH]7S(=O)(=O)c1ccccc1)[Si](C)(C)C)C(=O)OCC)C#N)C#N
Title of publication	Reactions of a Metallacyclobutene Complex with Alkenes
Authors of publication	Holland, Ryan L.; Bunker, Kevin D.; Chen, Christopher H.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Baldridge, Kim K.; O'Connor, Joseph M.
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Journal issue	31
Pages of publication	10093 - 10095
a	9.216 ± 0.0004 Å
b	11.216 ± 0.0005 Å
c	13.522 ± 0.0009 Å
α	101.39 ± 0.001°
β	101.14 ± 0.001°
γ	112.029 ± 0.001°
Cell volume	1213.98 ± 0.11 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	0.0393
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0673
Weighted residual factors for all reflections included in the refinement	0.072
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
219215 (current)	2019-10-09	cif/4/ Updated bibliographic information in entries 4108146-4108151, 4119119.	4108148.cif
178827	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 4/10/81.	4108148.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108148.cif
56484	2012-05-11	cif/ Adding structures of 4108148 via cif-deposit CGI script.	4108148.cif