Crystallography Open Database

Information card for entry 1505072

Preview

Coordinates	1505072.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H22 Cl6 N0 O4 Sb
Calculated formula	C19 H22 Cl6 O4 Sb
Title of publication	Reversible interchange of charge-transfer versus electron-transfer states in organic electron transfer via cross-exchanges between diamagnetic (donor/acceptor) dyads.
Authors of publication	Sun, Duoli; Rosokha, Sergiy V.; Kochi, Jay K.
Journal of publication	The journal of physical chemistry. B
Year of publication	2007
Journal volume	111
Journal issue	24
Pages of publication	6655 - 6666
a	7.8863 ± 0.0013 Å
b	14.082 ± 0.002 Å
c	14.387 ± 0.002 Å
α	113.899 ± 0.003°
β	101.326 ± 0.003°
γ	91.302 ± 0.003°
Cell volume	1423 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0444
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.066
Weighted residual factors for all reflections included in the refinement	0.0683
Goodness-of-fit parameter for all reflections included in the refinement	0.911
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1505072.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505072.cif
45325	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505072 via cif-deposit CGI script.	1505072.cif