Crystallography Open Database

Information card for entry 7235286

Preview

Coordinates	7235286.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H58 Li2 N2 O8 P2
Calculated formula	C58 H58 Li2 N2 O8 P2
Title of publication	Lithium, zinc and scandium complexes of phosphorylated salicylaldimines: synthesis, structure, thermochemical and photophysical properties, and application in OLEDs
Authors of publication	Aleksanyan, D. V.; Kozlov, V. A.; Petrov, B. I.; Balashova, T. V.; Pushkarev, A. P.; Dmitrienko, A. O.; Fukin, G. K.; Cherkasov, A. V.; Bochkarev, M. N.; Lazarev, N. M.; Bessonova, Y. A.; Abakumov, G. A.
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	46
Pages of publication	24484
a	9.6448 ± 0.0004 Å
b	12.0294 ± 0.0005 Å
c	12.29 ± 0.0005 Å
α	101.413 ± 0.001°
β	102.447 ± 0.001°
γ	103.514 ± 0.001°
Cell volume	1306.74 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0599
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1137
Weighted residual factors for all reflections included in the refinement	0.1209
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
232655 (current)	2019-11-23	cif/ Adding structures of 7235286 via cif-deposit CGI script.	7235286.cif