Crystallography Open Database

Information card for entry 4345647

Preview

Coordinates	4345647.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C124 H94 Eu2 N9 O12
Calculated formula	C124 H94 Eu2 N9 O12
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	12.0733 ± 0.0008 Å
b	32.986 ± 0.002 Å
c	13.4884 ± 0.001 Å
α	90°
β	106.121 ± 0.002°
γ	90°
Cell volume	5160.5 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0339
Residual factor for significantly intense reflections	0.0275
Weighted residual factors for significantly intense reflections	0.0563
Weighted residual factors for all reflections included in the refinement	0.0582
Goodness-of-fit parameter for all reflections included in the refinement	1.135
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4345647.cif
195285	2017-04-09	cif/ Adding structures of 4345647 via cif-deposit CGI script.	4345647.cif