Crystallography Open Database

Information card for entry 1505046

Preview

Coordinates	1505046.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H75 Dy N6 O8 P2
Calculated formula	C78 H75 Dy N6 O8 P2
SMILES	[Dy]123([O]=C(C(C)C)c4c(nn(c4O1)c1ccccc1)C)(Oc1n(nc(C)c1C(=[O]2)C(C)C)c1ccccc1)([O]=C(c1c(nn(c1O3)c1ccccc1)C)C(C)C)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Synthesis, Structure, Photoluminescence, and Electroluminescence Properties of a New Dysprosium Complex
Authors of publication	Li, Z.-F.; Zhou, L.; Yu, J.-B.; Zhang, H.-J.; Deng, R.-P.; Peng, Z.-P.; Guo, Z.-Y.
Journal of publication	Journal of Physical Chemistry C
Year of publication	2007
Journal volume	111
Journal issue	5
Pages of publication	2295
a	13.263 ± 0.003 Å
b	23.046 ± 0.005 Å
c	22.945 ± 0.005 Å
α	90°
β	91.51 ± 0.03°
γ	90°
Cell volume	7011 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0756
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.0958
Weighted residual factors for all reflections included in the refinement	0.1154
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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.	1505046.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505046.cif
45303	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505046 via cif-deposit CGI script.	1505046.cif