Crystallography Open Database

Information card for entry 4345649

Preview

Coordinates	4345649.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H38 F9 N2 O6 Tb
Calculated formula	C36 H38 F9 N2 O6 Tb
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	19.3748 ± 0.0005 Å
b	19.3748 ± 0.0005 Å
c	43.244 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	16233.1 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.1178
Residual factor for significantly intense reflections	0.0741
Weighted residual factors for significantly intense reflections	0.1762
Weighted residual factors for all reflections included in the refinement	0.1995
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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.	4345649.cif
195287	2017-04-09	cif/ Adding structures of 4345649 via cif-deposit CGI script.	4345649.cif