Crystallography Open Database

Information card for entry 4108149

Preview

Coordinates	4108149.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	8-ZE
Formula	C26 H32 Co N O6 S Si
Calculated formula	C26 H32 Co N O6 S Si
SMILES	C(C)OC(=O)[C]12C([C]3(=[CH](S(=O)(=O)c4ccccc4)[Co]456723([CH]=1C#N)[cH]1[cH]4[cH]5[cH]6[cH]71)[Si](C)(C)C)C(=O)OCC
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	14.884 ± 0.002 Å
b	11.4118 ± 0.0018 Å
c	15.75 ± 0.002 Å
α	90°
β	98.671 ± 0.002°
γ	90°
Cell volume	2644.6 ± 0.6 Å³
Cell temperature	208 ± 2 K
Ambient diffraction temperature	208 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0479
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0757
Weighted residual factors for all reflections included in the refinement	0.0817
Goodness-of-fit parameter for all reflections included in the refinement	0.984
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.	4108149.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.	4108149.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108149.cif
56485	2012-05-11	cif/ Adding structures of 4108149 via cif-deposit CGI script.	4108149.cif