Crystallography Open Database

Information card for entry 7114474

Preview

Coordinates	7114474.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Chromoum Complex
Formula	C23 H22 Cr O4 Si
Calculated formula	C23 H22 Cr O4 Si
SMILES	[Cr]12345(C#[O])(C#[O])(C#[O])[cH]6[cH]1[c]12[Si](OC([c]31[cH]4[cH]56)(/C=C/c1ccccc1)CC=C)(C)C
Title of publication	Cleavage of Si???Ar bond vs Si???Me bond: a remarkable counterion effect on reactivityElectronic supplementary information (ESI) available: spectroscopic data and experimental section. See http://www.rsc.org/suppdata/cc/b2/b205373j/
Authors of publication	Tipparaju, Suresh Kumar; Mandal, Sunil K.; Sur, Surojit; Puranik, Vedavati G.; Sarkar, Amitabha
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	17
Pages of publication	1924
a	12.488 ± 0.0016 Å
b	9.103 ± 0.0009 Å
c	20.682 ± 0.003 Å
α	90 ± 0.011°
β	107.161 ± 0.011°
γ	90 ± 0.009°
Cell volume	2246.4 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0439
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0811
Weighted residual factors for all reflections included in the refinement	0.0877
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.7093 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180258 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/44.	7114474.cif
116802	2014-06-13	cif/ Adding structures of 7114474 via cif-deposit CGI script.	7114474.cif