Crystallography Open Database

Information card for entry 7114292

Preview

Coordinates	7114292.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H52 N4 O4 Si
Calculated formula	C32 N2 O2 Si0.25
Title of publication	Structure and exchange in silicon-linked tetraradicalsElectronic supplementary information (ESI) available: EPR spectra, X-ray crystallographic data and packing views, synthetic and characterization details for 1a and 2, χT plot for 2, and computational summaries for model systems. See http://www.rsc.org/suppdata/cc/b1/b107430j/
Authors of publication	Liao, Yi; Baskett, Martha; Lahti, Paul M.; Palacio, Fernando
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	3
Pages of publication	252
a	16.661 ± 0.002 Å
b	16.661 ± 0.002 Å
c	7.0586 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1959.4 ± 0.4 Å³
Cell temperature	298 K
Number of distinct elements	5
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.315
Residual factor for significantly intense reflections	0.246
Weighted residual factors for all reflections	0.264
Weighted residual factors for significantly intense reflections	0.218
Weighted residual factors for all reflections included in the refinement	0.218
Goodness-of-fit parameter for all reflections	4.832
Goodness-of-fit parameter for significantly intense reflections	5.89
Goodness-of-fit parameter for all reflections included in the refinement	5.89
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7114292.cif
116663	2014-06-13	cif/ Adding structures of 7114291, 7114292 via cif-deposit CGI script.	7114292.cif