Crystallography Open Database

Information card for entry 7235287

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Coordinates	7235287.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H66 N4 O6 P2 Zn
Calculated formula	C72 H66 N4 O6 P2 Zn
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	29.3832 ± 0.0018 Å
b	10.1971 ± 0.0006 Å
c	24.3422 ± 0.0015 Å
α	90°
β	125.879 ± 0.001°
γ	90°
Cell volume	5909.6 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0538
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0929
Weighted residual factors for all reflections included in the refinement	0.0981
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
232657 (current)	2019-11-23	cif/ Adding structures of 7235287 via cif-deposit CGI script.	7235287.cif