Crystallography Open Database

Information card for entry 4345648

Preview

Coordinates	4345648.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H64 Eu N O8
Calculated formula	C69 H64 Eu N O8
SMILES	[Eu]1234(OC(=CC(=[O]1)c1ccccc1)c1ccccc1)(OC(=CC(=[O]2)c1ccccc1)c1ccccc1)(OC(=CC(=[O]3)c1ccccc1)c1ccccc1)OC(=CC(=[O]4)c1ccccc1)c1ccccc1.[NH2+]1C(CCCC1(C)C)(C)C
Title of publication	Mechanistic Investigation of Inducing Triboluminescence in Lanthanide(III) β-Diketonate Complexes.
Authors of publication	Wong, Ho-Yin; Lo, Wai-Sum; Chan, Wesley Ting Kwok; Law, Ga-Lai
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	9
Pages of publication	5135 - 5140
a	24.819 ± 0.0012 Å
b	10.0187 ± 0.0005 Å
c	24.1023 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	5993.1 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0364
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.0511
Weighted residual factors for all reflections included in the refinement	0.0538
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
196132 (current)	2017-05-05	cif/ Updating files of 4345646, 4345647, 4345648, 4345649, 4345650 Original log message: Adding full bibliography for 4345646--4345650.cif.	4345648.cif
195286	2017-04-09	cif/ Adding structures of 4345648 via cif-deposit CGI script.	4345648.cif