Crystallography Open Database

Information card for entry 7703385

Preview

Coordinates	7703385.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H65 Gd N4 O6
Calculated formula	C47 H65 Gd N4 O6
Title of publication	First aggregation-induced emission of a Tb(iii) luminophore based on modulation of ligand-ligand charge transfer bands.
Authors of publication	Kitagawa, Yuichi; Kumagai, Marina; Nakanishi, Takayuki; Fushimi, Koji; Hasegawa, Yasuchika
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	8
Pages of publication	2431 - 2436
a	13.4029 ± 0.0002 Å
b	15.2786 ± 0.0002 Å
c	26.4644 ± 0.0004 Å
α	90°
β	91.693 ± 0.001°
γ	90°
Cell volume	5416.95 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0504
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.1063
Weighted residual factors for all reflections included in the refinement	0.1236
Goodness-of-fit parameter for all reflections included in the refinement	1.133
Diffraction radiation probe	x-ray
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
248913 (current)	2020-03-05	cif/ Updating files of 7703382, 7703383, 7703384, 7703385 Original log message: Adding full bibliography for 7703382--7703385.cif.	7703385.cif
247335	2020-01-29	cif/ Adding structures of 7703382, 7703383, 7703384, 7703385 via cif-deposit CGI script.	7703385.cif