Crystallography Open Database

Information card for entry 4345650

Preview

Coordinates	4345650.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H60 Eu N O8
Calculated formula	C66 H60 Eu N O8
SMILES	[Eu]1234([O]=C(C=C(O1)c1ccccc1)c1ccccc1)(OC(=CC(=[O]2)c1ccccc1)c1ccccc1)(OC(=CC(=[O]3)c1ccccc1)c1ccccc1)OC(=CC(=[O]4)c1ccccc1)c1ccccc1.[NH+](CC)(CC)CC
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	29.6179 ± 0.001 Å
b	9.154 ± 0.0003 Å
c	25.3121 ± 0.0008 Å
α	90°
β	120.165 ± 0.0018°
γ	90°
Cell volume	5933.3 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0901
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.0807
Weighted residual factors for all reflections included in the refinement	0.0966
Goodness-of-fit parameter for all reflections included in the refinement	0.982
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
204144 (current)	2017-12-10	cif/4/ Updating space group information in entries 4126412, 4126413, 4126414, 4125730, 4123334, 4126455, 4345468, 4345650, 4345963.	4345650.cif
196132	2017-05-05	cif/ Updating files of 4345646, 4345647, 4345648, 4345649, 4345650 Original log message: Adding full bibliography for 4345646--4345650.cif.	4345650.cif
195288	2017-04-09	cif/ Adding structures of 4345650 via cif-deposit CGI script.	4345650.cif